Header list of 1o8r.pdb file
Complete list - r 25 2 Bytes
HEADER PROHORMONE 28-NOV-02 1O8R
TITLE SOLUTION STRUCTURE OF HUMAN PROGUANYLIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: GUANYLIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RESIDUES 22-115;
COMPND 5 SYNONYM: GUANYLATE CYCLASE ACTIVATOR;
COMPND 6 ENGINEERED: YES;
COMPND 7 OTHER_DETAILS: DISULPHIDE BONDS BETWEEN CYS69 AND CYS82,
COMPND 8 CYS104 AND CYS112, CYS107 AND CYS115
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 TISSUE: INTESTINAL MUCOSA AND BLOOD;
SOURCE 6 CELL: ENTERO-ENDOCRINE CELLS;
SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 9 EXPRESSION_SYSTEM_STRAIN: AD494;
SOURCE 10 EXPRESSION_SYSTEM_VARIANT: DE3;
SOURCE 11 EXPRESSION_SYSTEM_VECTOR: T7-EXPRESSION SYSTEM;
SOURCE 12 EXPRESSION_SYSTEM_PLASMID: PET32A;
SOURCE 13 OTHER_DETAILS: CLONED FROM CDNA
KEYWDS PROHORMONE, PROGUANYLIN, GUANYLIN, GAP-I, PRECURSOR,
KEYWDS 2 PROSEQUENCE
EXPDTA SOLUTION NMR
NUMMDL 30
AUTHOR T.LAUBER,P.ROSCH,U.C.MARX
REVDAT 4 24-FEB-09 1O8R 1 VERSN
REVDAT 3 21-JAN-04 1O8R 1 AUTHOR
REVDAT 2 26-JUN-03 1O8R 1 JRNL
REVDAT 1 24-APR-03 1O8R 0
JRNL AUTH T.LAUBER,P.NEUDECKER,P.ROESCH,U.C.MARX
JRNL TITL SOLUTION STRUCTURE OF HUMAN PROGUANYLIN: THE ROLE
JRNL TITL 2 OF A HORMONE PROSEQUENCE
JRNL REF J.BIOL.CHEM. V. 278 24118 2003
JRNL REFN ISSN 0021-9258
JRNL PMID 12707255
JRNL DOI 10.1074/JBC.M300370200
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR3.851
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN
REMARK 3 THE JRNL CITATION ABOVE
REMARK 4
REMARK 4 1O8R COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 05-DEC-02.
REMARK 100 THE PDBE ID CODE IS EBI-11803.
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : COSY;TOCSY;NOESY;HSQC;
REMARK 210 HNHA;TOCSY-HSQC;NOESY-HSQC;
REMARK 210 HMQC-NOESY-HSQC;HNCO;HNCA;HBHA
REMARK 210 (CBCACO)NH;CBCA(CO)NH;H(CCO)NH;
REMARK 210 C(CO)NH;HNCACB;CTHSQC;
REMARK 210 13C/15N F2-FILTERED 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600; 800
REMARK 210 SPECTROMETER MODEL : DRX600; AVANCE800
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRVIEW5.0.4, X-PLOR3851
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 120
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 30
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST OVERALL ENERGY,
REMARK 210 LEAST RESTRAINT VIOLATION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING STANDARD 3D NMR
REMARK 210 EXPERIMENTS ON 15N- AND 13C/15N-LABELED PROGUANYLIN
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 400
REMARK 400 COMPOUND
REMARK 400 ENDOGENOUS ACTIVATOR OF INTESTINAL GUANYLATE CYCLASE.
REMARK 400 STIMULATES THROUGH THE SAME RECEPTOR BINDING REGION
REMARK 400 AS HEAT-STABLE ENTEROTOXINS.
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 O PRO A 54 - H LEU A 57 1.43
REMARK 500 O GLU A 55 - H LYS A 58 1.59
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: TORSION ANGLES
REMARK 500
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)
REMARK 500
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400
REMARK 500
REMARK 500 M RES CSSEQI PSI PHI
REMARK 500 1 GLU A 13 -73.91 -67.01
REMARK 500 1 GLN A 22 54.39 -148.22
REMARK 500 1 PRO A 27 -158.99 -61.46
REMARK 500 1 PRO A 37 -150.59 -63.56
REMARK 500 1 VAL A 44 85.16 -155.00
REMARK 500 1 PRO A 45 -149.02 -61.66
REMARK 500 1 LEU A 47 -74.64 -111.11
REMARK 500 1 PRO A 54 72.62 -58.03
REMARK 500 1 ASP A 79 124.61 -178.86
REMARK 500 2 GLN A 22 55.32 -145.70
REMARK 500 2 PRO A 24 61.40 -62.78
REMARK 500 2 ASN A 34 31.35 -172.09
REMARK 500 2 PRO A 37 -143.78 -61.77
REMARK 500 2 ILE A 46 -39.54 -147.09
REMARK 500 2 CYS A 48 144.33 56.23
REMARK 500 2 SER A 49 -72.54 -98.60
REMARK 500 2 PRO A 54 74.53 -58.28
REMARK 500 2 CYS A 86 19.81 52.78
REMARK 500 3 GLU A 23 179.55 53.27
REMARK 500 3 PRO A 24 176.93 -58.27
REMARK 500 3 GLN A 25 -83.46 -41.50
REMARK 500 3 ARG A 28 87.77 41.79
REMARK 500 3 ASN A 34 -65.99 -158.16
REMARK 500 3 PHE A 35 70.21 -58.58
REMARK 500 3 ILE A 38 123.24 71.44
REMARK 500 3 VAL A 43 91.06 178.46
REMARK 500 3 CYS A 48 131.49 59.38
REMARK 500 3 PRO A 54 74.72 -58.06
REMARK 500 3 GLU A 55 -29.58 -39.34
REMARK 500 3 CYS A 86 19.87 51.47
REMARK 500 4 GLU A 13 -71.30 -68.56
REMARK 500 4 GLU A 23 92.30 42.83
REMARK 500 4 PRO A 24 172.77 -58.69
REMARK 500 4 GLU A 26 101.38 50.55
REMARK 500 4 PHE A 35 97.11 -162.65
REMARK 500 4 ALA A 36 98.42 -39.89
REMARK 500 4 ILE A 38 88.81 56.87
REMARK 500 4 VAL A 44 52.09 -151.66
REMARK 500 4 ILE A 46 -29.49 -179.98
REMARK 500 4 LEU A 47 70.01 -159.05
REMARK 500 4 CYS A 48 102.69 44.58
REMARK 500 4 PRO A 54 74.92 -58.30
REMARK 500 4 GLU A 55 -27.77 -39.22
REMARK 500 4 CYS A 86 14.14 56.71
REMARK 500 5 GLU A 13 -73.60 -74.21
REMARK 500 5 ASP A 20 70.20 -116.99
REMARK 500 5 GLN A 22 -173.20 46.79
REMARK 500 5 GLN A 25 50.09 -169.93
REMARK 500 5 ASN A 34 46.62 -150.53
REMARK 500 5 PRO A 37 -80.03 -62.14
REMARK 500 5 VAL A 43 71.59 -177.44
REMARK 500 5 CYS A 48 128.40 59.52
REMARK 500 5 PRO A 54 75.13 -58.30
REMARK 500 5 GLU A 55 -29.05 -39.06
REMARK 500 6 GLU A 13 -73.36 -68.66
REMARK 500 6 GLU A 23 74.14 49.00
REMARK 500 6 PRO A 24 62.28 -62.22
REMARK 500 6 ARG A 33 55.10 -114.07
REMARK 500 6 PHE A 35 -71.73 -173.70
REMARK 500 6 VAL A 44 70.97 -156.94
REMARK 500 6 PRO A 45 -143.89 -61.19
REMARK 500 6 LEU A 47 -74.94 -142.38
REMARK 500 6 PRO A 54 75.55 -58.03
REMARK 500 6 GLU A 55 -28.43 -39.40
REMARK 500 6 THR A 82 -40.98 72.45
REMARK 500 6 CYS A 86 16.96 52.77
REMARK 500 7 GLU A 13 -73.03 -71.89
REMARK 500 7 GLN A 22 55.73 179.06
REMARK 500 7 GLN A 25 -117.11 -58.91
REMARK 500 7 LEU A 47 98.06 -177.93
REMARK 500 7 CYS A 48 99.00 47.60
REMARK 500 7 PRO A 54 73.96 -59.02
REMARK 500 7 GLU A 55 -32.04 -39.43
REMARK 500 7 CYS A 86 15.64 56.47
REMARK 500 8 GLU A 13 -71.62 -70.95
REMARK 500 8 GLU A 23 156.64 -42.51
REMARK 500 8 PRO A 24 60.64 -62.54
REMARK 500 8 ASN A 34 19.20 -156.32
REMARK 500 8 PRO A 37 -149.90 -62.75
REMARK 500 8 PRO A 45 -145.68 -63.52
REMARK 500 8 LEU A 47 71.89 -150.76
REMARK 500 8 CYS A 48 129.99 54.35
REMARK 500 8 SER A 49 -70.82 -77.47
REMARK 500 8 PRO A 54 75.10 -59.36
REMARK 500 8 GLU A 55 -27.95 -39.27
REMARK 500 8 CYS A 86 18.73 54.07
REMARK 500 9 GLU A 23 86.11 56.72
REMARK 500 9 PHE A 35 82.76 -178.13
REMARK 500 9 PRO A 37 52.79 -64.05
REMARK 500 9 ILE A 38 113.94 53.81
REMARK 500 9 VAL A 43 54.80 -140.25
REMARK 500 9 ILE A 46 -36.78 -145.16
REMARK 500 9 LEU A 47 101.58 -177.38
REMARK 500 9 CYS A 48 95.72 33.67
REMARK 500 9 PRO A 54 73.43 -60.57
REMARK 500 9 GLU A 55 -31.18 -39.22
REMARK 500 9 CYS A 86 19.74 50.90
REMARK 500 10 GLU A 23 136.00 59.41
REMARK 500 10 GLN A 25 -159.68 56.60
REMARK 500 10 PRO A 37 -148.26 -65.55
REMARK 500 10 VAL A 43 54.29 -147.67
REMARK 500 10 VAL A 44 74.33 -161.13
REMARK 500 10 ILE A 46 -39.43 -148.65
REMARK 500 10 LEU A 47 -115.82 -130.94
REMARK 500 10 PRO A 54 75.58 -57.59
REMARK 500 10 GLU A 55 -28.83 -39.44
REMARK 500 10 CYS A 86 17.12 54.30
REMARK 500 11 LYS A 31 -65.02 -91.11
REMARK 500 11 ARG A 33 74.68 -62.25
REMARK 500 11 PRO A 37 30.16 -67.23
REMARK 500 11 ILE A 38 132.89 58.77
REMARK 500 11 GLU A 41 76.47 -119.46
REMARK 500 11 VAL A 44 -52.20 168.23
REMARK 500 11 ILE A 46 35.56 -89.09
REMARK 500 11 LEU A 47 75.27 54.13
REMARK 500 11 CYS A 48 95.60 43.21
REMARK 500 11 ASN A 52 33.73 -140.32
REMARK 500 11 PRO A 54 72.16 -57.86
REMARK 500 11 CYS A 86 15.15 55.43
REMARK 500 12 GLU A 13 -70.71 -70.97
REMARK 500 12 GLU A 26 71.98 53.52
REMARK 500 12 ARG A 28 -170.49 45.58
REMARK 500 12 PHE A 35 64.52 60.90
REMARK 500 12 ILE A 38 137.06 67.39
REMARK 500 12 VAL A 43 48.08 -109.24
REMARK 500 12 VAL A 44 48.22 -151.87
REMARK 500 12 ILE A 46 -70.60 -102.81
REMARK 500 12 CYS A 48 100.62 49.69
REMARK 500 12 SER A 49 -73.00 -65.85
REMARK 500 12 PRO A 54 76.19 -56.82
REMARK 500 12 GLU A 55 -26.50 -39.38
REMARK 500 12 CYS A 86 17.58 57.92
REMARK 500 13 GLU A 13 -71.92 -64.47
REMARK 500 13 GLU A 26 88.07 -158.97
REMARK 500 13 PRO A 37 -149.79 -63.17
REMARK 500 13 VAL A 44 62.00 -160.76
REMARK 500 13 PRO A 45 -153.66 -64.48
REMARK 500 13 CYS A 48 133.48 57.93
REMARK 500 13 PRO A 54 74.27 -56.39
REMARK 500 14 GLU A 13 -77.27 -71.75
REMARK 500 14 ARG A 33 54.58 -111.24
REMARK 500 14 PHE A 35 -31.86 -178.08
REMARK 500 14 ALA A 36 109.69 -55.49
REMARK 500 14 PRO A 37 81.18 -63.24
REMARK 500 14 ILE A 38 170.38 48.12
REMARK 500 14 VAL A 44 81.07 -155.36
REMARK 500 14 PRO A 45 -142.16 -60.59
REMARK 500 14 LEU A 47 -78.03 -135.19
REMARK 500 14 PRO A 54 74.28 -58.41
REMARK 500 14 CYS A 86 13.59 57.87
REMARK 500 15 GLU A 13 -75.63 -73.96
REMARK 500 15 ASN A 34 -129.95 -174.22
REMARK 500 15 PHE A 35 89.83 63.66
REMARK 500 15 ALA A 36 107.27 -50.24
REMARK 500 15 ILE A 38 70.73 61.64
REMARK 500 15 PRO A 42 90.23 -61.07
REMARK 500 15 VAL A 44 72.58 -158.16
REMARK 500 15 CYS A 48 128.48 70.99
REMARK 500 15 SER A 49 -79.62 -55.48
REMARK 500 15 PRO A 54 75.52 -55.64
REMARK 500 15 ASP A 79 94.42 175.04
REMARK 500 15 CYS A 86 15.00 57.83
REMARK 500 16 GLU A 13 -71.51 -67.75
REMARK 500 16 GLN A 25 -154.30 -58.31
REMARK 500 16 GLU A 26 79.52 -116.32
REMARK 500 16 ALA A 36 107.67 -54.05
REMARK 500 16 VAL A 43 83.15 179.15
REMARK 500 16 CYS A 48 121.00 58.84
REMARK 500 16 PRO A 54 74.75 -57.85
REMARK 500 16 CYS A 86 15.49 54.98
REMARK 500 17 GLU A 26 74.96 174.18
REMARK 500 17 ALA A 36 177.85 -49.48
REMARK 500 17 PRO A 37 81.96 -61.83
REMARK 500 17 VAL A 43 72.86 -158.47
REMARK 500 17 ILE A 46 -40.08 -177.59
REMARK 500 17 CYS A 48 123.09 57.97
REMARK 500 17 PRO A 54 75.00 -56.58
REMARK 500 17 GLU A 55 -27.14 -39.35
REMARK 500 17 CYS A 86 17.37 51.14
REMARK 500 18 GLU A 13 -71.02 -76.28
REMARK 500 18 GLU A 23 164.20 171.85
REMARK 500 18 PHE A 35 66.06 179.38
REMARK 500 18 ILE A 38 116.10 154.68
REMARK 500 18 LEU A 47 89.43 178.97
REMARK 500 18 CYS A 48 112.86 57.21
REMARK 500 18 PRO A 54 75.76 -57.37
REMARK 500 18 GLU A 55 -26.53 -39.11
REMARK 500 18 CYS A 86 16.25 55.37
REMARK 500 19 GLU A 23 -175.68 55.66
REMARK 500 19 ASN A 34 54.36 175.93
REMARK 500 19 ALA A 36 106.68 -45.60
REMARK 500 19 PRO A 37 -161.88 -66.86
REMARK 500 19 ILE A 38 72.89 -153.32
REMARK 500 19 GLU A 41 77.87 -119.48
REMARK 500 19 VAL A 43 -166.90 -121.77
REMARK 500 19 ILE A 46 -39.15 -159.41
REMARK 500 19 LEU A 47 89.94 -158.78
REMARK 500 19 CYS A 48 109.66 47.58
REMARK 500 19 SER A 49 -86.80 -59.89
REMARK 500 19 PRO A 54 75.96 -57.73
REMARK 500 19 GLU A 55 -27.52 -39.20
REMARK 500 19 ASP A 79 106.86 -160.26
REMARK 500 19 CYS A 86 19.75 51.45
REMARK 500 20 ASN A 34 -157.00 168.91
REMARK 500 20 PRO A 37 -150.13 -62.82
REMARK 500 20 GLU A 41 72.18 60.72
REMARK 500 20 PRO A 42 -165.76 -61.58
REMARK 500 20 VAL A 44 52.30 -158.19
REMARK 500 20 ILE A 46 -33.79 -149.21
REMARK 500 20 CYS A 48 124.69 57.41
REMARK 500 20 PRO A 54 76.44 -54.45
REMARK 500 20 GLU A 55 -27.45 -39.65
REMARK 500 20 CYS A 86 16.50 56.96
REMARK 500 21 GLU A 23 76.30 42.18
REMARK 500 21 PRO A 37 63.64 -64.39
REMARK 500 21 VAL A 43 54.83 -140.51
REMARK 500 21 PRO A 45 -149.72 -60.19
REMARK 500 21 CYS A 48 154.40 62.49
REMARK 500 21 PRO A 54 76.38 -56.36
REMARK 500 21 GLU A 55 -26.31 -39.07
REMARK 500 21 CYS A 86 18.83 57.21
REMARK 500 22 GLU A 13 -73.17 -74.29
REMARK 500 22 GLN A 22 -168.18 -54.99
REMARK 500 22 GLU A 23 163.56 59.43
REMARK 500 22 PRO A 37 -150.96 -62.46
REMARK 500 22 VAL A 44 38.86 76.11
REMARK 500 22 CYS A 48 162.42 53.64
REMARK 500 22 SER A 49 -70.70 -107.69
REMARK 500 22 PRO A 54 75.99 -57.86
REMARK 500 22 GLU A 55 -27.54 -39.28
REMARK 500 22 CYS A 86 12.12 59.39
REMARK 500 23 GLU A 13 -73.89 -71.72
REMARK 500 23 PRO A 24 60.24 -62.74
REMARK 500 23 LEU A 32 -155.17 56.52
REMARK 500 23 PRO A 37 88.15 -68.32
REMARK 500 23 PRO A 42 75.03 -61.52
REMARK 500 23 VAL A 44 -52.47 167.06
REMARK 500 23 LEU A 47 70.21 164.34
REMARK 500 23 CYS A 48 95.56 34.87
REMARK 500 23 PRO A 51 0.84 -63.80
REMARK 500 23 PRO A 54 75.78 -54.93
REMARK 500 23 CYS A 86 13.60 58.56
REMARK 500 24 GLU A 13 -71.81 -64.23
REMARK 500 24 GLN A 22 159.95 175.70
REMARK 500 24 GLU A 23 177.45 54.87
REMARK 500 24 ASN A 34 54.43 179.79
REMARK 500 24 PRO A 37 -157.01 -68.57
REMARK 500 24 ILE A 46 -29.96 -157.57
REMARK 500 24 LEU A 47 -114.38 -144.00
REMARK 500 24 PRO A 54 75.14 -61.47
REMARK 500 24 GLU A 55 -27.43 -39.07
REMARK 500 24 CYS A 86 19.36 49.95
REMARK 500 25 GLU A 13 -73.02 -69.04
REMARK 500 25 GLU A 26 101.52 -164.03
REMARK 500 25 ALA A 36 152.25 -48.73
REMARK 500 25 PRO A 37 3.84 -65.61
REMARK 500 25 ILE A 38 135.26 72.81
REMARK 500 25 VAL A 44 53.94 -163.90
REMARK 500 25 LEU A 47 90.65 174.02
REMARK 500 25 CYS A 48 95.84 39.24
REMARK 500 25 PRO A 54 74.68 -58.35
REMARK 500 25 GLU A 55 -26.78 -39.50
REMARK 500 25 ASP A 79 96.14 -162.11
REMARK 500 25 CYS A 86 15.66 59.19
REMARK 500 26 GLU A 23 97.92 -36.58
REMARK 500 26 GLN A 25 -49.87 -150.16
REMARK 500 26 ARG A 33 54.63 -176.98
REMARK 500 26 ASN A 34 -70.49 -95.95
REMARK 500 26 PHE A 35 80.21 -57.40
REMARK 500 26 ILE A 38 133.36 63.26
REMARK 500 26 GLU A 41 74.81 -119.84
REMARK 500 26 VAL A 44 -50.29 164.16
REMARK 500 26 ILE A 46 -75.59 -89.69
REMARK 500 26 LEU A 47 67.57 178.77
REMARK 500 26 CYS A 48 92.82 37.70
REMARK 500 26 PRO A 54 76.76 -57.51
REMARK 500 26 GLU A 55 -28.47 -38.88
REMARK 500 26 CYS A 86 16.32 54.76
REMARK 500 27 GLU A 13 -73.93 -73.28
REMARK 500 27 LEU A 18 -41.58 -27.88
REMARK 500 27 LEU A 21 104.77 45.94
REMARK 500 27 GLU A 23 165.83 -42.58
REMARK 500 27 PRO A 24 70.41 -60.88
REMARK 500 27 ARG A 33 54.25 -117.83
REMARK 500 27 PRO A 37 -147.95 -61.55
REMARK 500 27 PRO A 45 -169.29 -61.17
REMARK 500 27 CYS A 48 133.37 56.98
REMARK 500 27 PRO A 54 75.58 -56.53
REMARK 500 27 ASP A 79 73.13 95.04
REMARK 500 28 GLU A 13 -72.90 -70.23
REMARK 500 28 PRO A 27 -79.56 -61.30
REMARK 500 28 LYS A 31 -105.00 -82.92
REMARK 500 28 PRO A 37 -148.13 -62.64
REMARK 500 28 PRO A 45 -123.42 -59.86
REMARK 500 28 LEU A 47 -89.28 -136.10
REMARK 500 28 SER A 49 -73.77 -62.63
REMARK 500 28 PRO A 54 74.87 -59.28
REMARK 500 28 GLU A 55 -32.33 -39.28
REMARK 500 29 LEU A 18 -71.54 1.66
REMARK 500 29 GLU A 23 158.90 -45.68
REMARK 500 29 GLN A 25 84.75 64.07
REMARK 500 29 GLU A 26 96.90 -36.38
REMARK 500 29 LEU A 32 102.96 54.52
REMARK 500 29 ARG A 33 61.64 -103.20
REMARK 500 29 PRO A 37 -149.02 -61.84
REMARK 500 29 CYS A 48 143.66 58.01
REMARK 500 29 SER A 49 -76.20 -69.73
REMARK 500 29 PRO A 51 1.84 -64.63
REMARK 500 29 PRO A 54 73.39 -56.40
REMARK 500 29 GLN A 71 -17.62 -47.46
REMARK 500 30 GLU A 13 -74.10 -63.25
REMARK 500 30 ARG A 33 73.14 38.08
REMARK 500 30 ILE A 38 78.00 71.95
REMARK 500 30 VAL A 43 83.73 33.73
REMARK 500 30 VAL A 44 -161.40 45.27
REMARK 500 30 PRO A 51 1.55 -66.45
REMARK 500 30 PRO A 54 73.34 -61.00
REMARK 500 30 GLU A 55 -28.41 -38.87
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 1 ARG A 28 0.25 SIDE CHAIN
REMARK 500 1 ARG A 33 0.31 SIDE CHAIN
REMARK 500 1 ARG A 72 0.26 SIDE CHAIN
REMARK 500 2 ARG A 28 0.21 SIDE CHAIN
REMARK 500 2 ARG A 33 0.20 SIDE CHAIN
REMARK 500 2 ARG A 72 0.26 SIDE CHAIN
REMARK 500 3 ARG A 28 0.26 SIDE CHAIN
REMARK 500 3 ARG A 33 0.31 SIDE CHAIN
REMARK 500 3 ARG A 72 0.29 SIDE CHAIN
REMARK 500 4 ARG A 28 0.18 SIDE CHAIN
REMARK 500 4 ARG A 33 0.30 SIDE CHAIN
REMARK 500 5 ARG A 28 0.29 SIDE CHAIN
REMARK 500 5 ARG A 33 0.28 SIDE CHAIN
REMARK 500 5 ARG A 72 0.28 SIDE CHAIN
REMARK 500 6 ARG A 28 0.27 SIDE CHAIN
REMARK 500 6 ARG A 33 0.32 SIDE CHAIN
REMARK 500 6 ARG A 72 0.30 SIDE CHAIN
REMARK 500 7 ARG A 28 0.31 SIDE CHAIN
REMARK 500 7 ARG A 33 0.19 SIDE CHAIN
REMARK 500 7 ARG A 72 0.29 SIDE CHAIN
REMARK 500 8 ARG A 28 0.19 SIDE CHAIN
REMARK 500 8 ARG A 72 0.16 SIDE CHAIN
REMARK 500 9 ARG A 28 0.32 SIDE CHAIN
REMARK 500 9 ARG A 33 0.32 SIDE CHAIN
REMARK 500 9 ARG A 72 0.30 SIDE CHAIN
REMARK 500 10 ARG A 28 0.28 SIDE CHAIN
REMARK 500 11 ARG A 28 0.21 SIDE CHAIN
REMARK 500 11 ARG A 33 0.30 SIDE CHAIN
REMARK 500 11 ARG A 72 0.22 SIDE CHAIN
REMARK 500 12 ARG A 28 0.30 SIDE CHAIN
REMARK 500 12 ARG A 33 0.28 SIDE CHAIN
REMARK 500 12 ARG A 72 0.20 SIDE CHAIN
REMARK 500 13 ARG A 28 0.31 SIDE CHAIN
REMARK 500 13 ARG A 33 0.18 SIDE CHAIN
REMARK 500 13 ARG A 72 0.11 SIDE CHAIN
REMARK 500 14 ARG A 28 0.22 SIDE CHAIN
REMARK 500 14 ARG A 33 0.31 SIDE CHAIN
REMARK 500 14 ARG A 72 0.28 SIDE CHAIN
REMARK 500 15 ARG A 28 0.27 SIDE CHAIN
REMARK 500 15 ARG A 33 0.26 SIDE CHAIN
REMARK 500 15 ARG A 72 0.22 SIDE CHAIN
REMARK 500 16 ARG A 28 0.31 SIDE CHAIN
REMARK 500 16 ARG A 33 0.23 SIDE CHAIN
REMARK 500 16 ARG A 72 0.08 SIDE CHAIN
REMARK 500 17 ARG A 28 0.25 SIDE CHAIN
REMARK 500 17 ARG A 33 0.29 SIDE CHAIN
REMARK 500 18 ARG A 28 0.30 SIDE CHAIN
REMARK 500 18 ARG A 33 0.23 SIDE CHAIN
REMARK 500 18 ARG A 72 0.13 SIDE CHAIN
REMARK 500 19 ARG A 33 0.19 SIDE CHAIN
REMARK 500 19 ARG A 72 0.25 SIDE CHAIN
REMARK 500 20 ARG A 28 0.22 SIDE CHAIN
REMARK 500 20 ARG A 33 0.16 SIDE CHAIN
REMARK 500 20 ARG A 72 0.20 SIDE CHAIN
REMARK 500 21 ARG A 28 0.22 SIDE CHAIN
REMARK 500 21 ARG A 33 0.31 SIDE CHAIN
REMARK 500 21 ARG A 72 0.30 SIDE CHAIN
REMARK 500 22 ARG A 28 0.30 SIDE CHAIN
REMARK 500 22 ARG A 33 0.20 SIDE CHAIN
REMARK 500 22 ARG A 72 0.32 SIDE CHAIN
REMARK 500 23 ARG A 33 0.16 SIDE CHAIN
REMARK 500 23 ARG A 72 0.18 SIDE CHAIN
REMARK 500 24 ARG A 28 0.18 SIDE CHAIN
REMARK 500 24 ARG A 33 0.23 SIDE CHAIN
REMARK 500 24 ARG A 72 0.31 SIDE CHAIN
REMARK 500 25 ARG A 28 0.26 SIDE CHAIN
REMARK 500 25 ARG A 33 0.31 SIDE CHAIN
REMARK 500 25 ARG A 72 0.26 SIDE CHAIN
REMARK 500 26 ARG A 28 0.22 SIDE CHAIN
REMARK 500 26 ARG A 33 0.28 SIDE CHAIN
REMARK 500 26 ARG A 72 0.25 SIDE CHAIN
REMARK 500 27 ARG A 28 0.32 SIDE CHAIN
REMARK 500 27 ARG A 33 0.31 SIDE CHAIN
REMARK 500 27 ARG A 72 0.32 SIDE CHAIN
REMARK 500 28 ARG A 28 0.12 SIDE CHAIN
REMARK 500 28 ARG A 33 0.11 SIDE CHAIN
REMARK 500 28 ARG A 72 0.29 SIDE CHAIN
REMARK 500 29 ARG A 28 0.19 SIDE CHAIN
REMARK 500 29 ARG A 33 0.22 SIDE CHAIN
REMARK 500 29 ARG A 72 0.26 SIDE CHAIN
REMARK 500 30 ARG A 28 0.19 SIDE CHAIN
REMARK 500 30 ARG A 33 0.16 SIDE CHAIN
REMARK 500 30 ARG A 72 0.29 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1GNA RELATED DB: PDB
REMARK 900 GUANYLIN (A-FORM) (ENDOGENOUS LIGAND TO THE
REMARK 900 HEAT STABLE ENTEROTOXIN RECEPTOR) (NMR, 20
REMARK 900 STRUCTURES)
REMARK 900 RELATED ID: 1GNB RELATED DB: PDB
REMARK 900 GUANYLIN (B-FORM) (ENDOGENOUS LIGAND TO THE
REMARK 900 HEAT STABLE ENTEROTOXIN RECEPTOR) (NMR, 20
REMARK 900 STRUCTURES)
DBREF 1O8R A 1 94 UNP Q02747 GUAN_HUMAN 22 115
SEQRES 1 A 94 VAL THR VAL GLN ASP GLY ASN PHE SER PHE SER LEU GLU
SEQRES 2 A 94 SER VAL LYS LYS LEU LYS ASP LEU GLN GLU PRO GLN GLU
SEQRES 3 A 94 PRO ARG VAL GLY LYS LEU ARG ASN PHE ALA PRO ILE PRO
SEQRES 4 A 94 GLY GLU PRO VAL VAL PRO ILE LEU CYS SER ASN PRO ASN
SEQRES 5 A 94 PHE PRO GLU GLU LEU LYS PRO LEU CYS LYS GLU PRO ASN
SEQRES 6 A 94 ALA GLN GLU ILE LEU GLN ARG LEU GLU GLU ILE ALA GLU
SEQRES 7 A 94 ASP PRO GLY THR CYS GLU ILE CYS ALA TYR ALA ALA CYS
SEQRES 8 A 94 THR GLY CYS
HELIX 1 1 LEU A 12 LYS A 17 1 6
HELIX 2 2 PRO A 54 GLU A 56 5 3
HELIX 3 3 LEU A 57 LYS A 62 1 6
HELIX 4 4 ALA A 66 GLU A 78 1 13
SHEET 1 AA 3 SER A 9 PHE A 10 0
SHEET 2 AA 3 THR A 2 GLN A 4 -1 O VAL A 3 N PHE A 10
SHEET 3 AA 3 CYS A 91 THR A 92 -1 O THR A 92 N THR A 2
SSBOND 1 CYS A 48 CYS A 61 1555 1555 2.13
SSBOND 2 CYS A 83 CYS A 91 1555 1555 1.93
SSBOND 3 CYS A 86 CYS A 94 1555 1555 1.95
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
Complete list - r 25 2 Bytes