Header list of 1hjn.pdb file
Complete list - r 25 2 Bytes
HEADER PRION PROTEIN 27-FEB-03 1HJN
TITLE HUMAN PRION PROTEIN AT PH 7.0
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: MAJOR PRION PROTEIN PRECURSOR;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: GLOBULAR DOMAIN, RESIDUES 125-228;
COMPND 5 SYNONYM: PRP, PRP27-30, PRP33-35C, ASCR, CD230 ANTIGEN;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS PRION PROTEIN, PRION, BRAIN, GLYCOPROTEIN, GPI-ANCHOR,
KEYWDS 2 REPEAT, SIGNAL
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR L.CALZOLAI,R.ZAHN
REVDAT 3 24-FEB-09 1HJN 1 VERSN
REVDAT 2 11-SEP-03 1HJN 1 JRNL
REVDAT 1 03-JUL-03 1HJN 0
JRNL AUTH L.CALZOLAI,R.ZAHN
JRNL TITL INFLUENCE OF PH ON NMR STRUCTURE AND STABILITY OF
JRNL TITL 2 THE HUMAN PRION PROTEIN GLOBULAR DOMAIN
JRNL REF J.BIOL.CHEM. V. 278 35592 2003
JRNL REFN ISSN 0021-9258
JRNL PMID 12826672
JRNL DOI 10.1074/JBC.M303005200
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : OPALP
REMARK 3 AUTHORS : R.KORADI,M.BILLETER,P.GUNTERT
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1HJN COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 27-FEB-03.
REMARK 100 THE PDBE ID CODE IS EBI-12263.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : 750
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : DYANA
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWER TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: NULL
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 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 5 ARG A 148 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES
REMARK 500 5 HIS A 177 CB - CG - ND1 ANGL. DEV. = 7.8 DEGREES
REMARK 500 6 HIS A 177 CB - CG - ND1 ANGL. DEV. = 7.9 DEGREES
REMARK 500 8 HIS A 155 CB - CG - ND1 ANGL. DEV. = 8.1 DEGREES
REMARK 500 10 ARG A 164 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES
REMARK 500 11 HIS A 155 CB - CG - ND1 ANGL. DEV. = 8.7 DEGREES
REMARK 500 11 TYR A 163 CB - CG - CD2 ANGL. DEV. = -4.1 DEGREES
REMARK 500 12 CYS A 179 CA - CB - SG ANGL. DEV. = 7.5 DEGREES
REMARK 500 13 HIS A 177 CB - CG - ND1 ANGL. DEV. = 8.4 DEGREES
REMARK 500 14 HIS A 177 CB - CG - ND1 ANGL. DEV. = 7.9 DEGREES
REMARK 500 15 HIS A 177 CB - CG - ND1 ANGL. DEV. = 8.1 DEGREES
REMARK 500 16 ARG A 136 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES
REMARK 500 19 ARG A 164 NE - CZ - NH2 ANGL. DEV. = -3.2 DEGREES
REMARK 500 20 CYS A 179 CA - CB - SG ANGL. DEV. = 6.7 DEGREES
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 MET A 134 -167.85 -163.44
REMARK 500 1 MET A 166 102.47 -48.48
REMARK 500 1 GLU A 168 -12.64 -162.74
REMARK 500 1 SER A 170 11.24 -162.52
REMARK 500 1 PHE A 198 -177.11 -65.01
REMARK 500 2 SER A 132 -169.19 -59.39
REMARK 500 2 PRO A 165 -168.99 -72.35
REMARK 500 2 MET A 166 44.19 -68.25
REMARK 500 2 GLU A 168 -16.93 -174.06
REMARK 500 2 GLN A 172 -65.26 -92.28
REMARK 500 2 ASN A 181 0.51 -65.45
REMARK 500 2 ILE A 182 -70.27 -105.95
REMARK 500 2 PHE A 198 -168.98 -68.04
REMARK 500 3 SER A 132 -177.14 -69.30
REMARK 500 3 MET A 134 50.68 -160.01
REMARK 500 3 SER A 135 -150.60 53.23
REMARK 500 3 PRO A 165 -170.23 -67.87
REMARK 500 3 GLU A 168 -99.07 -139.97
REMARK 500 3 SER A 170 29.58 44.91
REMARK 500 3 GLN A 172 -101.25 -80.67
REMARK 500 4 SER A 132 -163.07 -70.97
REMARK 500 4 MET A 134 37.90 -155.90
REMARK 500 4 SER A 135 -160.69 49.09
REMARK 500 4 TYR A 145 -72.39 -57.96
REMARK 500 4 HIS A 155 0.55 -65.61
REMARK 500 4 GLU A 168 -33.72 -159.70
REMARK 500 4 ASN A 171 178.68 174.02
REMARK 500 4 GLN A 172 -79.70 -70.61
REMARK 500 5 TYR A 128 -176.57 42.80
REMARK 500 5 SER A 132 171.83 -54.53
REMARK 500 5 MET A 134 94.14 -169.13
REMARK 500 5 SER A 135 -140.08 35.46
REMARK 500 5 TYR A 145 2.82 -66.33
REMARK 500 5 PRO A 165 -178.20 -65.65
REMARK 500 5 MET A 166 -147.81 -77.45
REMARK 500 5 GLU A 168 -127.61 -144.99
REMARK 500 5 ASN A 171 -144.37 -163.12
REMARK 500 5 GLU A 221 -39.92 -134.58
REMARK 500 6 MET A 166 90.60 -62.58
REMARK 500 6 GLU A 168 -59.85 -153.36
REMARK 500 6 SER A 170 24.13 47.37
REMARK 500 6 ASN A 173 -70.28 -88.12
REMARK 500 7 SER A 132 -173.27 -63.09
REMARK 500 7 GLU A 168 -37.98 -144.59
REMARK 500 7 PHE A 198 -169.48 -69.03
REMARK 500 8 MET A 134 59.20 -168.48
REMARK 500 8 SER A 135 -146.66 48.98
REMARK 500 8 MET A 166 90.31 -67.42
REMARK 500 8 GLU A 168 -70.00 -179.24
REMARK 500 8 SER A 170 96.11 -171.85
REMARK 500 8 ASN A 171 -148.95 -149.04
REMARK 500 8 GLN A 172 -98.37 -83.19
REMARK 500 9 MET A 134 33.63 -165.03
REMARK 500 9 SER A 135 -149.26 50.79
REMARK 500 9 GLU A 168 -65.44 -157.76
REMARK 500 9 SER A 170 10.04 46.20
REMARK 500 10 MET A 134 30.37 -140.04
REMARK 500 10 SER A 135 -142.86 47.99
REMARK 500 10 ASP A 167 -4.25 69.57
REMARK 500 10 GLU A 168 -62.46 -129.84
REMARK 500 10 ASN A 171 -171.99 -177.85
REMARK 500 10 GLN A 172 -99.60 -97.25
REMARK 500 11 SER A 132 -159.64 -132.20
REMARK 500 11 SER A 135 -160.34 -68.61
REMARK 500 11 TYR A 145 1.96 -61.83
REMARK 500 11 GLU A 168 -27.37 -147.93
REMARK 500 11 SER A 170 94.98 -160.38
REMARK 500 12 TYR A 128 -178.32 47.78
REMARK 500 12 MET A 134 55.40 -152.04
REMARK 500 12 SER A 135 -155.12 50.72
REMARK 500 12 MET A 166 2.76 -65.05
REMARK 500 12 ASP A 167 24.08 -73.35
REMARK 500 12 GLU A 168 -149.69 -154.00
REMARK 500 12 SER A 170 9.32 57.60
REMARK 500 12 VAL A 176 -54.70 -120.81
REMARK 500 13 ASP A 167 0.38 -64.72
REMARK 500 13 SER A 170 -22.06 64.62
REMARK 500 13 PHE A 198 -172.53 -59.87
REMARK 500 14 TYR A 145 -75.79 -64.36
REMARK 500 14 GLU A 152 -8.49 -58.10
REMARK 500 14 GLU A 168 16.23 -140.88
REMARK 500 14 TYR A 169 -69.84 -160.85
REMARK 500 14 SER A 170 72.57 35.09
REMARK 500 14 ASN A 171 -160.00 -112.69
REMARK 500 14 GLN A 172 -73.32 -121.55
REMARK 500 14 THR A 199 -168.88 -115.01
REMARK 500 15 GLU A 168 -29.19 -153.31
REMARK 500 15 SER A 170 -6.08 -166.69
REMARK 500 15 GLN A 172 -95.45 -68.23
REMARK 500 16 SER A 132 -166.97 -62.84
REMARK 500 16 GLU A 168 -80.16 -157.29
REMARK 500 17 TYR A 128 141.61 51.52
REMARK 500 17 ARG A 136 114.32 -39.94
REMARK 500 17 TYR A 145 2.23 -65.07
REMARK 500 17 MET A 166 84.98 -58.04
REMARK 500 17 GLU A 168 -99.97 -156.11
REMARK 500 17 SER A 170 -1.41 62.84
REMARK 500 18 TYR A 128 -160.11 41.70
REMARK 500 18 SER A 132 -165.59 -72.18
REMARK 500 18 MET A 134 50.37 -152.03
REMARK 500 18 SER A 135 -159.89 48.24
REMARK 500 18 PRO A 165 -178.00 -65.66
REMARK 500 18 ASP A 167 27.23 38.45
REMARK 500 18 GLU A 168 -15.49 78.27
REMARK 500 18 ASN A 171 -154.14 47.10
REMARK 500 18 GLN A 172 -101.02 -121.32
REMARK 500 18 ASN A 181 -9.26 -59.88
REMARK 500 18 ILE A 182 -63.75 -103.78
REMARK 500 18 GLN A 223 4.06 -69.18
REMARK 500 19 MET A 134 73.43 -168.17
REMARK 500 19 SER A 135 -139.04 49.74
REMARK 500 19 TYR A 163 -157.61 -160.38
REMARK 500 19 MET A 166 24.16 -67.83
REMARK 500 19 GLU A 168 -27.15 -166.52
REMARK 500 19 ASN A 171 174.18 63.73
REMARK 500 19 ALA A 224 -67.91 -92.74
REMARK 500 20 MET A 134 41.58 -167.41
REMARK 500 20 SER A 135 -149.20 49.79
REMARK 500 20 MET A 166 90.77 -59.87
REMARK 500 20 ASP A 167 -2.91 -143.66
REMARK 500 20 TYR A 169 -66.76 56.24
REMARK 500 20 SER A 170 13.53 50.24
REMARK 500 20 GLN A 172 -83.25 -34.40
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 TYR A 169 0.12 SIDE CHAIN
REMARK 500 1 PHE A 198 0.08 SIDE CHAIN
REMARK 500 1 ARG A 228 0.10 SIDE CHAIN
REMARK 500 2 ARG A 136 0.09 SIDE CHAIN
REMARK 500 2 TYR A 150 0.10 SIDE CHAIN
REMARK 500 3 ARG A 136 0.10 SIDE CHAIN
REMARK 500 4 ARG A 148 0.14 SIDE CHAIN
REMARK 500 4 TYR A 150 0.08 SIDE CHAIN
REMARK 500 5 TYR A 128 0.08 SIDE CHAIN
REMARK 500 5 TYR A 150 0.08 SIDE CHAIN
REMARK 500 5 ARG A 208 0.10 SIDE CHAIN
REMARK 500 5 ARG A 220 0.12 SIDE CHAIN
REMARK 500 5 ARG A 228 0.11 SIDE CHAIN
REMARK 500 6 ARG A 136 0.08 SIDE CHAIN
REMARK 500 6 ARG A 151 0.08 SIDE CHAIN
REMARK 500 7 ARG A 148 0.16 SIDE CHAIN
REMARK 500 7 TYR A 150 0.07 SIDE CHAIN
REMARK 500 7 ARG A 151 0.13 SIDE CHAIN
REMARK 500 7 ARG A 208 0.10 SIDE CHAIN
REMARK 500 8 ARG A 148 0.12 SIDE CHAIN
REMARK 500 8 TYR A 150 0.13 SIDE CHAIN
REMARK 500 8 ARG A 228 0.12 SIDE CHAIN
REMARK 500 9 TYR A 149 0.07 SIDE CHAIN
REMARK 500 9 TYR A 150 0.08 SIDE CHAIN
REMARK 500 9 ARG A 151 0.08 SIDE CHAIN
REMARK 500 11 TYR A 150 0.12 SIDE CHAIN
REMARK 500 11 ARG A 151 0.11 SIDE CHAIN
REMARK 500 12 ARG A 148 0.10 SIDE CHAIN
REMARK 500 12 TYR A 162 0.07 SIDE CHAIN
REMARK 500 12 TYR A 169 0.10 SIDE CHAIN
REMARK 500 12 TYR A 218 0.09 SIDE CHAIN
REMARK 500 12 ARG A 228 0.08 SIDE CHAIN
REMARK 500 14 ARG A 148 0.17 SIDE CHAIN
REMARK 500 14 TYR A 150 0.09 SIDE CHAIN
REMARK 500 14 TYR A 169 0.08 SIDE CHAIN
REMARK 500 14 TYR A 225 0.07 SIDE CHAIN
REMARK 500 14 TYR A 226 0.08 SIDE CHAIN
REMARK 500 15 ARG A 136 0.08 SIDE CHAIN
REMARK 500 15 ARG A 148 0.11 SIDE CHAIN
REMARK 500 15 TYR A 150 0.11 SIDE CHAIN
REMARK 500 15 TYR A 169 0.07 SIDE CHAIN
REMARK 500 16 TYR A 162 0.13 SIDE CHAIN
REMARK 500 17 ARG A 148 0.11 SIDE CHAIN
REMARK 500 17 TYR A 162 0.07 SIDE CHAIN
REMARK 500 18 ARG A 148 0.09 SIDE CHAIN
REMARK 500 18 TYR A 150 0.12 SIDE CHAIN
REMARK 500 18 TYR A 162 0.07 SIDE CHAIN
REMARK 500 19 TYR A 150 0.13 SIDE CHAIN
REMARK 500 19 ARG A 151 0.10 SIDE CHAIN
REMARK 500 20 ARG A 148 0.10 SIDE CHAIN
REMARK 500 20 TYR A 150 0.17 SIDE CHAIN
REMARK 500 20 TYR A 169 0.08 SIDE CHAIN
REMARK 500 20 ARG A 228 0.09 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1E1G RELATED DB: PDB
REMARK 900 HUMAN PRION PROTEIN VARIANT M166V
REMARK 900 RELATED ID: 1E1J RELATED DB: PDB
REMARK 900 HUMAN PRION PROTEIN VARIANT M166V
REMARK 900 RELATED ID: 1E1P RELATED DB: PDB
REMARK 900 HUMAN PRION PROTEIN VARIANT S170N
REMARK 900 RELATED ID: 1E1S RELATED DB: PDB
REMARK 900 HUMAN PRION PROTEIN VARIANT S170N
REMARK 900 RELATED ID: 1E1U RELATED DB: PDB
REMARK 900 HUMAN PRION PROTEIN VARIANT R220K
REMARK 900 RELATED ID: 1E1W RELATED DB: PDB
REMARK 900 HUMAN PRION PROTEIN VARIANT R220K
REMARK 900 RELATED ID: 1HJM RELATED DB: PDB
REMARK 900 HUMAN PRION PROTEIN AT PH 7.0
DBREF 1HJN A 125 228 UNP P04156 PRIO_HUMAN 125 228
SEQRES 1 A 104 LEU GLY GLY TYR MET LEU GLY SER ALA MET SER ARG PRO
SEQRES 2 A 104 ILE ILE HIS PHE GLY SER ASP TYR GLU ASP ARG TYR TYR
SEQRES 3 A 104 ARG GLU ASN MET HIS ARG TYR PRO ASN GLN VAL TYR TYR
SEQRES 4 A 104 ARG PRO MET ASP GLU TYR SER ASN GLN ASN ASN PHE VAL
SEQRES 5 A 104 HIS ASP CYS VAL ASN ILE THR ILE LYS GLN HIS THR VAL
SEQRES 6 A 104 THR THR THR THR LYS GLY GLU ASN PHE THR GLU THR ASP
SEQRES 7 A 104 VAL LYS MET MET GLU ARG VAL VAL GLU GLN MET CYS ILE
SEQRES 8 A 104 THR GLN TYR GLU ARG GLU SER GLN ALA TYR TYR GLN ARG
HELIX 1 1 SER A 143 MET A 154 1 12
HELIX 2 2 HIS A 155 TYR A 157 5 3
HELIX 3 3 GLN A 172 GLY A 195 1 24
HELIX 4 4 THR A 199 ARG A 228 1 30
SHEET 1 AA 2 MET A 129 ALA A 133 0
SHEET 2 AA 2 GLN A 160 TYR A 163 -1 O VAL A 161 N GLY A 131
SSBOND 1 CYS A 179 CYS A 214 1555 1555 2.05
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