Header list of 1h20.pdb file
Complete list - r 25 2 Bytes
HEADER INHIBITOR 29-JUL-02 1H20
TITLE SOLUTION STRUCTURE OF THE POTATO CARBOXYPEPTIDASE INHIBITOR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: METALLOCARBOXYPEPTIDASE INHIBITOR;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: CARBOXYPEPTIDASE INHIBITOR, MCPI;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SOLANUM TUBEROSUM;
SOURCE 3 ORGANISM_COMMON: POTATO;
SOURCE 4 ORGANISM_TAXID: 4113;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS INHIBITOR, METALLOENZYME INHIBITOR, PLANT DEFENSE
EXPDTA SOLUTION NMR
NUMMDL 25
AUTHOR C.GONZALEZ,J.L.NEIRA,S.VENTURA,S.BRONSOMS,F.X.AVILES,M.RICO
REVDAT 3 28-DEC-11 1H20 1 AUTHOR JRNL REMARK VERSN
REVDAT 2 24-FEB-09 1H20 1 VERSN
REVDAT 1 09-MAY-03 1H20 0
JRNL AUTH C.GONZALEZ,J.L.NEIRA,S.VENTURA,S.BRONSOMS,M.RICO,
JRNL AUTH 2 F.X.AVILES
JRNL TITL STRUCTURE AND DYNAMICS OF THE POTATO
JRNL TITL 2 CARBOXYPEPTIDASE INHIBITOR BY 1H AND 15N NMR.
JRNL REF PROTEINS V. 50 410 2003
JRNL REFN ISSN 0887-3585
JRNL PMID 12557184
JRNL DOI 10.1002/PROT.10291
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : GROMOS
REMARK 3 AUTHORS : VAN GUNSTEREN,BERENDSEN
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN
REMARK 3 THE JRNL CITATION ABOVE
REMARK 4
REMARK 4 1H20 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 30-JUL-02.
REMARK 100 THE PDBE ID CODE IS EBI-11178.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 308
REMARK 210 PH : 4.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : AMX600
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : GROMOS
REMARK 210 METHOD USED : RESTRAINED MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 25
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
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 400
REMARK 400 COMPOUND
REMARK 400 PLAYS A DEFENSIVE ROLE AGAINST INSECT ATTACKS. SIMILAR TO
REMARK 400 TOMATO MCPI
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 HE2 GLU A 1 HE2 HIS A 3 1.14
REMARK 500 HD2 ASP A 5 HG21 ILE A 7 1.20
REMARK 500
REMARK 500 REMARK: NULL
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 1 HIS A 3 CB - CG - CD2 ANGL. DEV. = -8.9 DEGREES
REMARK 500 1 CYS A 8 CA - CB - SG ANGL. DEV. = -6.9 DEGREES
REMARK 500 1 HIS A 15 CB - CG - CD2 ANGL. DEV. = -8.2 DEGREES
REMARK 500 1 TYR A 37 CB - CG - CD2 ANGL. DEV. = -4.3 DEGREES
REMARK 500 2 TYR A 37 CB - CG - CD2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 3 HIS A 3 CB - CG - CD2 ANGL. DEV. = -7.7 DEGREES
REMARK 500 3 HIS A 15 CB - CG - CD2 ANGL. DEV. = -7.7 DEGREES
REMARK 500 3 TYR A 37 CB - CG - CD2 ANGL. DEV. = -4.5 DEGREES
REMARK 500 4 TYR A 37 CB - CG - CD2 ANGL. DEV. = -5.1 DEGREES
REMARK 500 5 SER A 19 N - CA - C ANGL. DEV. = 16.6 DEGREES
REMARK 500 5 TYR A 37 CB - CG - CD2 ANGL. DEV. = -4.5 DEGREES
REMARK 500 6 HIS A 15 CB - CG - CD2 ANGL. DEV. = -8.4 DEGREES
REMARK 500 6 TYR A 37 CB - CG - CD2 ANGL. DEV. = -3.7 DEGREES
REMARK 500 7 HIS A 15 CB - CG - CD2 ANGL. DEV. = -7.3 DEGREES
REMARK 500 8 HIS A 3 CB - CG - CD2 ANGL. DEV. = -7.4 DEGREES
REMARK 500 8 HIS A 15 CB - CG - CD2 ANGL. DEV. = -8.7 DEGREES
REMARK 500 8 TYR A 37 CB - CG - CD2 ANGL. DEV. = -4.3 DEGREES
REMARK 500 9 HIS A 3 CB - CG - CD2 ANGL. DEV. = -10.2 DEGREES
REMARK 500 9 HIS A 15 CB - CG - CD2 ANGL. DEV. = -7.8 DEGREES
REMARK 500 10 TYR A 37 CB - CG - CD2 ANGL. DEV. = -3.8 DEGREES
REMARK 500 11 HIS A 15 CB - CG - CD2 ANGL. DEV. = -8.6 DEGREES
REMARK 500 11 TYR A 37 CB - CG - CD2 ANGL. DEV. = -4.5 DEGREES
REMARK 500 12 CYS A 12 N - CA - CB ANGL. DEV. = -9.1 DEGREES
REMARK 500 12 HIS A 15 CB - CG - CD2 ANGL. DEV. = -7.7 DEGREES
REMARK 500 13 CYS A 12 N - CA - CB ANGL. DEV. = -10.4 DEGREES
REMARK 500 13 HIS A 15 CB - CG - CD2 ANGL. DEV. = -7.8 DEGREES
REMARK 500 13 TYR A 37 CB - CG - CD2 ANGL. DEV. = -4.1 DEGREES
REMARK 500 14 HIS A 15 CB - CG - CD2 ANGL. DEV. = -7.7 DEGREES
REMARK 500 14 CYS A 27 CA - CB - SG ANGL. DEV. = -6.7 DEGREES
REMARK 500 15 TYR A 37 CB - CG - CD2 ANGL. DEV. = -4.6 DEGREES
REMARK 500 16 HIS A 3 CB - CG - CD2 ANGL. DEV. = -7.2 DEGREES
REMARK 500 16 HIS A 15 CB - CG - CD2 ANGL. DEV. = -8.3 DEGREES
REMARK 500 17 HIS A 15 CB - CG - CD2 ANGL. DEV. = -8.8 DEGREES
REMARK 500 18 HIS A 3 CB - CG - CD2 ANGL. DEV. = -9.0 DEGREES
REMARK 500 18 TYR A 37 CB - CG - CD2 ANGL. DEV. = -4.0 DEGREES
REMARK 500 19 HIS A 15 CB - CG - CD2 ANGL. DEV. = -9.0 DEGREES
REMARK 500 19 TYR A 37 CB - CG - CD2 ANGL. DEV. = -4.4 DEGREES
REMARK 500 20 CYS A 12 N - CA - CB ANGL. DEV. = -9.9 DEGREES
REMARK 500 20 TYR A 37 CB - CG - CD2 ANGL. DEV. = -4.9 DEGREES
REMARK 500 21 HIS A 3 CB - CG - CD2 ANGL. DEV. = -8.6 DEGREES
REMARK 500 21 HIS A 15 CB - CG - CD2 ANGL. DEV. = -7.6 DEGREES
REMARK 500 22 HIS A 15 CB - CG - CD2 ANGL. DEV. = -7.5 DEGREES
REMARK 500 23 TYR A 37 CB - CG - CD2 ANGL. DEV. = -4.4 DEGREES
REMARK 500 24 HIS A 3 CB - CG - CD2 ANGL. DEV. = -8.0 DEGREES
REMARK 500 24 HIS A 15 CB - CG - CD2 ANGL. DEV. = -9.3 DEGREES
REMARK 500 24 TYR A 37 CB - CG - CD1 ANGL. DEV. = -4.3 DEGREES
REMARK 500 25 TYR A 37 CB - CG - CD2 ANGL. DEV. = -6.0 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
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 GLN A 2 -67.27 72.22
REMARK 500 1 HIS A 3 25.52 42.61
REMARK 500 1 ALA A 4 38.59 -74.22
REMARK 500 1 ASN A 9 13.37 87.95
REMARK 500 1 CYS A 12 -169.35 -168.53
REMARK 500 1 CYS A 18 36.14 -96.60
REMARK 500 1 TRP A 22 -32.92 -134.81
REMARK 500 1 PHE A 23 -63.06 -108.24
REMARK 500 1 CYS A 24 48.97 -85.63
REMARK 500 1 ASN A 29 -74.84 -53.88
REMARK 500 1 CYS A 34 91.77 -59.41
REMARK 500 1 VAL A 38 -57.44 60.24
REMARK 500 2 GLN A 2 -54.52 21.52
REMARK 500 2 ALA A 4 -21.34 77.70
REMARK 500 2 ASN A 9 21.50 83.41
REMARK 500 2 CYS A 18 33.80 -93.87
REMARK 500 2 ASN A 29 -76.57 -54.73
REMARK 500 2 CYS A 34 86.19 -57.68
REMARK 500 2 VAL A 38 -51.12 61.00
REMARK 500 3 ALA A 4 29.99 -162.85
REMARK 500 3 CYS A 8 109.04 -55.54
REMARK 500 3 ASN A 9 22.52 90.12
REMARK 500 3 SER A 19 -53.09 -1.05
REMARK 500 3 TRP A 22 -30.24 -134.58
REMARK 500 3 CYS A 34 94.13 -59.89
REMARK 500 4 GLN A 2 24.65 -164.19
REMARK 500 4 ALA A 4 -23.54 65.78
REMARK 500 4 ASN A 9 8.73 86.12
REMARK 500 4 LYS A 13 -36.80 -134.26
REMARK 500 4 TRP A 22 -32.61 -140.00
REMARK 500 4 CYS A 24 42.67 -85.60
REMARK 500 4 CYS A 34 89.92 -60.35
REMARK 500 4 VAL A 38 -82.49 62.05
REMARK 500 5 HIS A 3 -3.01 57.02
REMARK 500 5 ALA A 4 -7.20 55.78
REMARK 500 5 ILE A 7 -19.60 -144.01
REMARK 500 5 ASN A 9 14.18 81.87
REMARK 500 5 SER A 19 -40.30 -4.94
REMARK 500 5 PHE A 23 -63.35 -108.93
REMARK 500 5 ASN A 29 -75.26 -52.66
REMARK 500 5 CYS A 34 95.11 -61.42
REMARK 500 5 VAL A 38 -74.74 58.57
REMARK 500 6 ALA A 4 -4.85 79.86
REMARK 500 6 ASN A 9 18.99 89.08
REMARK 500 6 CYS A 34 93.98 -59.46
REMARK 500 6 PRO A 36 170.40 -59.02
REMARK 500 6 VAL A 38 -42.21 55.81
REMARK 500 7 HIS A 3 46.42 -153.78
REMARK 500 7 ASN A 9 11.24 84.82
REMARK 500 7 CYS A 18 35.09 -95.45
REMARK 500
REMARK 500 THIS ENTRY HAS 193 RAMACHANDRAN OUTLIERS.
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 HIS A 3 0.13 SIDE CHAIN
REMARK 500 1 HIS A 15 0.13 SIDE CHAIN
REMARK 500 1 TRP A 28 0.09 SIDE CHAIN
REMARK 500 1 TYR A 37 0.18 SIDE CHAIN
REMARK 500 2 HIS A 15 0.11 SIDE CHAIN
REMARK 500 2 TRP A 28 0.13 SIDE CHAIN
REMARK 500 2 TYR A 37 0.15 SIDE CHAIN
REMARK 500 3 HIS A 15 0.13 SIDE CHAIN
REMARK 500 3 TRP A 22 0.08 SIDE CHAIN
REMARK 500 3 TYR A 37 0.15 SIDE CHAIN
REMARK 500 4 HIS A 3 0.10 SIDE CHAIN
REMARK 500 4 HIS A 15 0.12 SIDE CHAIN
REMARK 500 4 TYR A 37 0.23 SIDE CHAIN
REMARK 500 5 HIS A 3 0.13 SIDE CHAIN
REMARK 500 5 HIS A 15 0.09 SIDE CHAIN
REMARK 500 5 TRP A 22 0.07 SIDE CHAIN
REMARK 500 5 TRP A 28 0.07 SIDE CHAIN
REMARK 500 5 TYR A 37 0.21 SIDE CHAIN
REMARK 500 6 HIS A 3 0.11 SIDE CHAIN
REMARK 500 6 HIS A 15 0.14 SIDE CHAIN
REMARK 500 6 TYR A 37 0.13 SIDE CHAIN
REMARK 500 7 HIS A 15 0.11 SIDE CHAIN
REMARK 500 7 TRP A 22 0.10 SIDE CHAIN
REMARK 500 7 PHE A 23 0.08 SIDE CHAIN
REMARK 500 7 TYR A 37 0.19 SIDE CHAIN
REMARK 500 8 HIS A 3 0.11 SIDE CHAIN
REMARK 500 8 HIS A 15 0.13 SIDE CHAIN
REMARK 500 8 TRP A 28 0.09 SIDE CHAIN
REMARK 500 8 TYR A 37 0.12 SIDE CHAIN
REMARK 500 9 HIS A 3 0.11 SIDE CHAIN
REMARK 500 9 HIS A 15 0.12 SIDE CHAIN
REMARK 500 10 HIS A 3 0.18 SIDE CHAIN
REMARK 500 10 HIS A 15 0.10 SIDE CHAIN
REMARK 500 10 TRP A 28 0.10 SIDE CHAIN
REMARK 500 10 TYR A 37 0.19 SIDE CHAIN
REMARK 500 11 HIS A 3 0.18 SIDE CHAIN
REMARK 500 11 HIS A 15 0.14 SIDE CHAIN
REMARK 500 11 TYR A 37 0.11 SIDE CHAIN
REMARK 500 12 HIS A 15 0.10 SIDE CHAIN
REMARK 500 12 TRP A 22 0.10 SIDE CHAIN
REMARK 500 12 TRP A 28 0.13 SIDE CHAIN
REMARK 500 13 HIS A 3 0.11 SIDE CHAIN
REMARK 500 13 HIS A 15 0.10 SIDE CHAIN
REMARK 500 13 TRP A 22 0.06 SIDE CHAIN
REMARK 500 13 TRP A 28 0.07 SIDE CHAIN
REMARK 500 13 TYR A 37 0.10 SIDE CHAIN
REMARK 500 14 HIS A 3 0.12 SIDE CHAIN
REMARK 500 14 HIS A 15 0.13 SIDE CHAIN
REMARK 500 14 TRP A 22 0.10 SIDE CHAIN
REMARK 500 14 TRP A 28 0.08 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 97 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY
REMARK 500
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 500 I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI ANGLE
REMARK 500 1 CYS A 8 -11.31
REMARK 500 1 THR A 14 -11.76
REMARK 500 1 ASP A 17 -13.90
REMARK 500 1 CYS A 24 -13.67
REMARK 500 1 CYS A 27 -10.98
REMARK 500 1 CYS A 34 14.12
REMARK 500 2 GLU A 1 13.45
REMARK 500 2 GLN A 2 -15.35
REMARK 500 2 THR A 14 -12.21
REMARK 500 2 ASP A 17 -14.04
REMARK 500 2 CYS A 24 -11.77
REMARK 500 2 ASN A 29 -12.44
REMARK 500 2 CYS A 34 11.99
REMARK 500 3 HIS A 3 -12.56
REMARK 500 3 CYS A 8 -12.93
REMARK 500 3 THR A 14 -13.59
REMARK 500 3 CYS A 27 -11.04
REMARK 500 3 ASN A 29 -11.18
REMARK 500 3 CYS A 34 13.59
REMARK 500 4 CYS A 24 -10.55
REMARK 500 4 TRP A 28 10.28
REMARK 500 4 THR A 33 10.35
REMARK 500 4 CYS A 34 13.66
REMARK 500 5 PRO A 11 12.67
REMARK 500 5 THR A 14 -11.41
REMARK 500 5 CYS A 24 -10.44
REMARK 500 5 CYS A 34 14.47
REMARK 500 6 LYS A 13 -13.54
REMARK 500 6 THR A 14 -12.34
REMARK 500 6 CYS A 24 -10.96
REMARK 500 6 CYS A 34 13.34
REMARK 500 7 LYS A 13 -11.65
REMARK 500 7 THR A 14 -12.48
REMARK 500 7 ASP A 17 -13.47
REMARK 500 7 CYS A 24 -13.98
REMARK 500 7 CYS A 27 -13.27
REMARK 500 7 TRP A 28 11.53
REMARK 500 7 ALA A 31 -10.90
REMARK 500 7 CYS A 34 13.67
REMARK 500 8 THR A 14 -11.84
REMARK 500 8 CYS A 24 -12.22
REMARK 500 8 CYS A 27 -10.25
REMARK 500 9 HIS A 3 -10.03
REMARK 500 9 LYS A 13 -10.34
REMARK 500 9 THR A 14 -13.84
REMARK 500 9 CYS A 24 -13.02
REMARK 500 9 CYS A 27 -13.30
REMARK 500 10 CYS A 8 -15.69
REMARK 500 10 PRO A 11 10.69
REMARK 500 10 THR A 14 -10.58
REMARK 500
REMARK 500 THIS ENTRY HAS 123 MAIN CHAIN PLANARITY DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CHIRAL CENTERS
REMARK 500
REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL
REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY
REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR
REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE
REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16)
REMARK 500
REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS
REMARK 500 2 GLN A 2 19.5 L L OUTSIDE RANGE
REMARK 500 2 ASN A 9 24.2 L L OUTSIDE RANGE
REMARK 500 2 LYS A 13 18.0 L L OUTSIDE RANGE
REMARK 500 2 ASN A 29 24.2 L L OUTSIDE RANGE
REMARK 500 3 GLN A 2 23.4 L L OUTSIDE RANGE
REMARK 500 3 ASN A 9 22.4 L L OUTSIDE RANGE
REMARK 500 3 LYS A 13 22.0 L L OUTSIDE RANGE
REMARK 500 3 SER A 19 23.6 L L OUTSIDE RANGE
REMARK 500 4 LYS A 13 22.1 L L OUTSIDE RANGE
REMARK 500 5 HIS A 3 23.0 L L OUTSIDE RANGE
REMARK 500 5 LYS A 13 19.3 L L OUTSIDE RANGE
REMARK 500 5 SER A 19 23.7 L L OUTSIDE RANGE
REMARK 500 6 ALA A 4 23.8 L L OUTSIDE RANGE
REMARK 500 6 LYS A 13 23.8 L L OUTSIDE RANGE
REMARK 500 6 ASN A 29 24.6 L L OUTSIDE RANGE
REMARK 500 7 LYS A 13 22.1 L L OUTSIDE RANGE
REMARK 500 8 LYS A 13 23.0 L L OUTSIDE RANGE
REMARK 500 9 LYS A 13 21.2 L L OUTSIDE RANGE
REMARK 500 9 SER A 19 23.6 L L OUTSIDE RANGE
REMARK 500 9 ARG A 32 23.2 L L OUTSIDE RANGE
REMARK 500 9 TYR A 37 23.2 L L OUTSIDE RANGE
REMARK 500 10 LYS A 13 22.5 L L OUTSIDE RANGE
REMARK 500 10 SER A 19 25.0 L L OUTSIDE RANGE
REMARK 500 10 TYR A 37 24.2 L L OUTSIDE RANGE
REMARK 500 11 GLU A 1 24.6 L L OUTSIDE RANGE
REMARK 500 11 LYS A 13 24.6 L L OUTSIDE RANGE
REMARK 500 12 LYS A 13 18.0 L L OUTSIDE RANGE
REMARK 500 12 ARG A 32 23.2 L L OUTSIDE RANGE
REMARK 500 13 LYS A 13 21.9 L L OUTSIDE RANGE
REMARK 500 14 GLN A 2 24.5 L L OUTSIDE RANGE
REMARK 500 14 HIS A 3 23.9 L L OUTSIDE RANGE
REMARK 500 14 LYS A 13 21.4 L L OUTSIDE RANGE
REMARK 500 14 ASN A 29 24.3 L L OUTSIDE RANGE
REMARK 500 14 ARG A 32 20.9 L L OUTSIDE RANGE
REMARK 500 15 SER A 19 24.1 L L OUTSIDE RANGE
REMARK 500 16 HIS A 3 17.5 L L OUTSIDE RANGE
REMARK 500 16 LYS A 13 24.5 L L OUTSIDE RANGE
REMARK 500 17 LYS A 13 19.8 L L OUTSIDE RANGE
REMARK 500 17 ARG A 32 24.8 L L OUTSIDE RANGE
REMARK 500 18 HIS A 3 23.2 L L OUTSIDE RANGE
REMARK 500 18 ALA A 4 24.5 L L OUTSIDE RANGE
REMARK 500 19 LYS A 13 24.0 L L OUTSIDE RANGE
REMARK 500 20 LYS A 13 20.9 L L OUTSIDE RANGE
REMARK 500 20 SER A 19 24.7 L L OUTSIDE RANGE
REMARK 500 20 ASN A 29 24.6 L L OUTSIDE RANGE
REMARK 500 21 LYS A 13 21.3 L L OUTSIDE RANGE
REMARK 500 22 HIS A 3 19.1 L L OUTSIDE RANGE
REMARK 500 22 LYS A 13 22.4 L L OUTSIDE RANGE
REMARK 500 22 VAL A 38 23.6 L L OUTSIDE RANGE
REMARK 500 23 ARG A 32 23.3 L L OUTSIDE RANGE
REMARK 500
REMARK 500 THIS ENTRY HAS 54 CHIRALITY DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 4CPA RELATED DB: PDB
REMARK 900 CARBOXYPEPTIDASE A=ALPHA= (COX) COMPLEX WITH
REMARK 900 POTATO CARBOXYPEPTIDASE A INHIBITOR
DBREF 1H20 A 1 39 UNP P01075 MCPI_SOLTU 1 39
SEQADV 1H20 GLU A 1 UNP P01075 GLN 1 CONFLICT
SEQRES 1 A 39 GLU GLN HIS ALA ASP PRO ILE CYS ASN LYS PRO CYS LYS
SEQRES 2 A 39 THR HIS ASP ASP CYS SER GLY ALA TRP PHE CYS GLN ALA
SEQRES 3 A 39 CYS TRP ASN SER ALA ARG THR CYS GLY PRO TYR VAL GLY
SHEET 1 AA 2 ALA A 26 CYS A 27 0
SHEET 2 AA 2 CYS A 34 GLY A 35 -1 O GLY A 35 N ALA A 26
SSBOND 1 CYS A 8 CYS A 24 1555 1555 2.04
SSBOND 2 CYS A 12 CYS A 27 1555 1555 2.04
SSBOND 3 CYS A 18 CYS A 34 1555 1555 2.04
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