Header list of 1n5g.pdb file
Complete list - b 23 2 Bytes
HEADER TRANSFERASE 05-NOV-02 1N5G
TITLE NMR STRUCTURES OF THE ZINC FINGER DOMAIN OF HUMAN DNA POLYMERASE-ALPHA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 38-MER OF DNA POLYMERASE ALPHA CATALYTIC SUBUNIT;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: ZINC FINGER DOMAIN (RESIDUES 1345-1382);
COMPND 5 EC: 2.7.7.7;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED. THE SEQUENCE
SOURCE 4 OF THE PROTEIN IS NATURALLY FOUND IN HOMO SAPIENS.
KEYWDS ZINC FINGER PROTEIN, DNA BINDING DOMAIN, POLYMERASE-ALPHA,
KEYWDS 2 TRANSFERASE
EXPDTA SOLUTION NMR
NUMMDL 29
AUTHOR F.EVANICS,L.MAURMANN,W.W.YANG,R.N.BOSE
REVDAT 3 23-FEB-22 1N5G 1 REMARK
REVDAT 2 24-FEB-09 1N5G 1 VERSN
REVDAT 1 25-NOV-03 1N5G 0
JRNL AUTH F.EVANICS,L.MAURMANN,W.W.YANG,R.N.BOSE
JRNL TITL NUCLEAR MAGNETIC RESONANCE STRUCTURES OF THE ZINC FINGER
JRNL TITL 2 DOMAIN OF HUMAN DNA POLYMERASE-ALPHA
JRNL REF BIOCHIM.BIOPHYS.ACTA V.1651 163 2003
JRNL REFN ISSN 0006-3002
JRNL PMID 14499601
JRNL DOI 10.1016/S1570-9639(03)00266-8
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.1 REV. C, DISCOVER 97.0
REMARK 3 AUTHORS : VARIAN (VNMR), MSI (DISCOVER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1N5G COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-NOV-02.
REMARK 100 THE DEPOSITION ID IS D_1000017541.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 296
REMARK 210 PH : 6.2
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 3MM PEPTIDE, 3.6MM ZN(II)NITRATE
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE, NMRVIEW 5.0.3
REMARK 210 METHOD USED : SIMULATED ANNEALING AND
REMARK 210 CONSTRAINED MOLECULAR DYNAMICS
REMARK 210 SIMULATIONS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 29
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR
REMARK 210 TECHNIQUES. THE NOESY MIXING TIMES WERE VARIED 75 - 500 MS.
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 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
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 RES CSSEQI ATM2 DEVIATION
REMARK 500 1 GLU A 5 CD GLU A 5 OE1 0.108
REMARK 500 1 GLU A 6 CD GLU A 6 OE1 0.113
REMARK 500 1 HIS A 15 CG HIS A 15 CD2 0.055
REMARK 500 1 GLU A 38 CD GLU A 38 OE1 0.112
REMARK 500 2 TRP A 1 CG TRP A 1 CD1 0.111
REMARK 500 2 TRP A 1 CE2 TRP A 1 CZ2 -0.107
REMARK 500 2 TRP A 1 CD2 TRP A 1 CE3 0.098
REMARK 500 2 TRP A 1 CH2 TRP A 1 CZ2 0.119
REMARK 500 2 LEU A 2 N LEU A 2 CA 0.170
REMARK 500 2 ILE A 3 CB ILE A 3 CG1 0.188
REMARK 500 2 CYS A 4 CB CYS A 4 SG 0.126
REMARK 500 2 GLU A 5 CD GLU A 5 OE1 -0.123
REMARK 500 2 GLU A 5 CD GLU A 5 OE2 0.090
REMARK 500 2 GLU A 6 CD GLU A 6 OE1 -0.107
REMARK 500 2 GLU A 6 CD GLU A 6 OE2 0.088
REMARK 500 2 PRO A 7 N PRO A 7 CA 0.110
REMARK 500 2 ASN A 11 N ASN A 11 CA 0.130
REMARK 500 2 ARG A 12 NE ARG A 12 CZ 0.093
REMARK 500 2 ARG A 12 CZ ARG A 12 NH1 0.143
REMARK 500 2 ARG A 12 CA ARG A 12 C 0.180
REMARK 500 2 THR A 13 CA THR A 13 C 0.275
REMARK 500 2 HIS A 15 CG HIS A 15 CD2 0.073
REMARK 500 2 LEU A 16 N LEU A 16 CA 0.157
REMARK 500 2 LEU A 18 N LEU A 18 CA 0.130
REMARK 500 2 GLN A 19 CA GLN A 19 C 0.167
REMARK 500 2 SER A 21 CA SER A 21 C 0.174
REMARK 500 2 THR A 23 CA THR A 23 CB 0.183
REMARK 500 2 GLY A 24 CA GLY A 24 C 0.124
REMARK 500 2 LEU A 26 N LEU A 26 CA 0.145
REMARK 500 2 CYS A 27 N CYS A 27 CA 0.128
REMARK 500 2 PRO A 28 N PRO A 28 CA 0.192
REMARK 500 2 PRO A 28 CD PRO A 28 N 0.112
REMARK 500 2 PRO A 28 CA PRO A 28 C -0.128
REMARK 500 2 LYS A 32 N LYS A 32 CA 0.165
REMARK 500 2 GLU A 38 CG GLU A 38 CD 0.171
REMARK 500 2 GLU A 38 CD GLU A 38 OE2 0.097
REMARK 500 3 TRP A 1 NE1 TRP A 1 CE2 0.082
REMARK 500 3 TRP A 1 CD2 TRP A 1 CE3 0.224
REMARK 500 3 TRP A 1 C LEU A 2 N 0.139
REMARK 500 3 GLU A 5 CD GLU A 5 OE1 0.104
REMARK 500 3 GLU A 5 CD GLU A 5 OE2 -0.137
REMARK 500 3 GLU A 6 CD GLU A 6 OE1 0.098
REMARK 500 3 ARG A 10 CZ ARG A 10 NH1 0.093
REMARK 500 3 ARG A 12 CZ ARG A 12 NH1 0.161
REMARK 500 3 ARG A 12 C THR A 13 N 0.140
REMARK 500 3 THR A 13 CA THR A 13 C 0.180
REMARK 500 3 ARG A 14 CZ ARG A 14 NH1 0.098
REMARK 500 3 HIS A 15 CG HIS A 15 CD2 0.177
REMARK 500 3 GLN A 19 CA GLN A 19 CB 0.148
REMARK 500 3 ARG A 22 NE ARG A 22 CZ 0.094
REMARK 500
REMARK 500 THIS ENTRY HAS 567 BOND DEVIATIONS.
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 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES
REMARK 500 1 ARG A 10 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES
REMARK 500 1 ARG A 12 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 1 ARG A 12 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES
REMARK 500 1 ARG A 14 NE - CZ - NH1 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 ARG A 14 NE - CZ - NH2 ANGL. DEV. = -3.0 DEGREES
REMARK 500 1 HIS A 15 ND1 - CE1 - NE2 ANGL. DEV. = 8.4 DEGREES
REMARK 500 1 ARG A 22 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 2 TRP A 1 CD1 - NE1 - CE2 ANGL. DEV. = -6.2 DEGREES
REMARK 500 2 TRP A 1 CD2 - CE2 - CZ2 ANGL. DEV. = -9.8 DEGREES
REMARK 500 2 TRP A 1 NE1 - CE2 - CD2 ANGL. DEV. = 6.4 DEGREES
REMARK 500 2 TRP A 1 CH2 - CZ2 - CE2 ANGL. DEV. = 9.5 DEGREES
REMARK 500 2 LEU A 2 CB - CG - CD1 ANGL. DEV. = 15.4 DEGREES
REMARK 500 2 ILE A 3 CB - CA - C ANGL. DEV. = 12.8 DEGREES
REMARK 500 2 CYS A 4 CA - CB - SG ANGL. DEV. = -13.3 DEGREES
REMARK 500 2 GLU A 5 OE1 - CD - OE2 ANGL. DEV. = -7.7 DEGREES
REMARK 500 2 CYS A 9 CB - CA - C ANGL. DEV. = 9.9 DEGREES
REMARK 500 2 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 7.0 DEGREES
REMARK 500 2 ARG A 12 CB - CA - C ANGL. DEV. = 15.2 DEGREES
REMARK 500 2 ARG A 12 NE - CZ - NH1 ANGL. DEV. = 5.4 DEGREES
REMARK 500 2 THR A 13 N - CA - CB ANGL. DEV. = 11.7 DEGREES
REMARK 500 2 ARG A 14 NE - CZ - NH1 ANGL. DEV. = 5.8 DEGREES
REMARK 500 2 ARG A 14 NE - CZ - NH2 ANGL. DEV. = -7.9 DEGREES
REMARK 500 2 HIS A 15 CA - CB - CG ANGL. DEV. = 11.5 DEGREES
REMARK 500 2 LEU A 16 CB - CA - C ANGL. DEV. = 16.1 DEGREES
REMARK 500 2 PRO A 17 O - C - N ANGL. DEV. = -13.1 DEGREES
REMARK 500 2 LEU A 18 CA - CB - CG ANGL. DEV. = 16.8 DEGREES
REMARK 500 2 PHE A 20 CB - CG - CD2 ANGL. DEV. = -5.0 DEGREES
REMARK 500 2 PHE A 20 CB - CG - CD1 ANGL. DEV. = 7.1 DEGREES
REMARK 500 2 ARG A 22 NE - CZ - NH1 ANGL. DEV. = 8.9 DEGREES
REMARK 500 2 ARG A 22 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES
REMARK 500 2 ARG A 22 CA - C - N ANGL. DEV. = -15.8 DEGREES
REMARK 500 2 PRO A 25 O - C - N ANGL. DEV. = -10.3 DEGREES
REMARK 500 2 CYS A 27 CB - CA - C ANGL. DEV. = 13.7 DEGREES
REMARK 500 2 CYS A 30 CB - CA - C ANGL. DEV. = 8.2 DEGREES
REMARK 500 2 LEU A 35 CB - CA - C ANGL. DEV. = 16.9 DEGREES
REMARK 500 3 TRP A 1 CD1 - NE1 - CE2 ANGL. DEV. = -12.4 DEGREES
REMARK 500 3 TRP A 1 NE1 - CE2 - CZ2 ANGL. DEV. = -9.5 DEGREES
REMARK 500 3 TRP A 1 NE1 - CE2 - CD2 ANGL. DEV. = 8.4 DEGREES
REMARK 500 3 TRP A 1 CE3 - CZ3 - CH2 ANGL. DEV. = -8.1 DEGREES
REMARK 500 3 TRP A 1 CZ3 - CH2 - CZ2 ANGL. DEV. = 7.4 DEGREES
REMARK 500 3 LEU A 2 CB - CG - CD1 ANGL. DEV. = 11.8 DEGREES
REMARK 500 3 LEU A 2 CB - CG - CD2 ANGL. DEV. = -14.4 DEGREES
REMARK 500 3 CYS A 4 CA - CB - SG ANGL. DEV. = -16.7 DEGREES
REMARK 500 3 GLU A 5 OE1 - CD - OE2 ANGL. DEV. = -9.2 DEGREES
REMARK 500 3 GLU A 6 OE1 - CD - OE2 ANGL. DEV. = -10.6 DEGREES
REMARK 500 3 GLU A 6 CG - CD - OE2 ANGL. DEV. = 13.1 DEGREES
REMARK 500 3 CYS A 9 CB - CA - C ANGL. DEV. = 11.1 DEGREES
REMARK 500 3 ARG A 10 NE - CZ - NH1 ANGL. DEV. = 4.9 DEGREES
REMARK 500 3 ARG A 10 NE - CZ - NH2 ANGL. DEV. = -3.5 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 602 ANGLE DEVIATIONS.
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 SER A 21 45.55 -86.34
REMARK 500 1 PRO A 25 69.41 -68.26
REMARK 500 1 LEU A 26 -52.41 -126.44
REMARK 500 2 SER A 21 56.55 -95.51
REMARK 500 2 LEU A 26 -48.62 -139.08
REMARK 500 3 SER A 21 58.23 -94.94
REMARK 500 3 PRO A 25 81.16 -69.77
REMARK 500 3 LEU A 26 -40.15 -146.53
REMARK 500 4 CYS A 4 -75.84 -63.71
REMARK 500 4 PRO A 25 74.32 -67.83
REMARK 500 4 LEU A 26 -37.89 -146.15
REMARK 500 5 SER A 21 42.28 -77.03
REMARK 500 5 PRO A 25 72.91 -63.65
REMARK 500 5 LEU A 26 -45.49 -143.29
REMARK 500 6 SER A 21 47.78 -91.69
REMARK 500 6 PRO A 25 79.54 -58.82
REMARK 500 6 LEU A 26 -40.82 -146.14
REMARK 500 7 SER A 21 49.77 -103.41
REMARK 500 7 PRO A 25 68.03 -49.87
REMARK 500 7 LEU A 26 -35.52 -134.74
REMARK 500 7 ALA A 29 44.29 38.16
REMARK 500 8 GLU A 5 -70.89 -57.55
REMARK 500 8 GLN A 19 14.98 55.00
REMARK 500 8 THR A 23 -69.84 -91.86
REMARK 500 8 LEU A 26 -78.22 -138.23
REMARK 500 9 GLU A 5 -74.40 -44.23
REMARK 500 9 SER A 21 46.25 -104.07
REMARK 500 9 THR A 23 -66.49 -109.49
REMARK 500 9 LEU A 26 -75.05 -137.10
REMARK 500 10 SER A 21 43.33 -108.48
REMARK 500 10 THR A 23 -79.09 -97.28
REMARK 500 10 PRO A 25 69.70 -102.40
REMARK 500 10 LEU A 26 -72.40 -120.83
REMARK 500 10 PRO A 28 80.53 -54.24
REMARK 500 11 SER A 21 55.63 -116.82
REMARK 500 11 THR A 23 -74.84 -82.98
REMARK 500 11 LEU A 26 -71.70 -126.69
REMARK 500 12 SER A 21 48.07 -109.92
REMARK 500 12 THR A 23 -70.08 -81.32
REMARK 500 12 PRO A 25 55.81 -101.84
REMARK 500 12 PRO A 28 75.12 -58.58
REMARK 500 13 CYS A 4 -71.00 -73.52
REMARK 500 13 SER A 21 43.70 -100.14
REMARK 500 13 PRO A 25 57.16 -112.81
REMARK 500 13 PRO A 28 82.86 -56.65
REMARK 500 14 SER A 21 55.02 -112.86
REMARK 500 14 PRO A 25 51.80 -99.87
REMARK 500 14 LEU A 26 -76.24 -106.80
REMARK 500 15 SER A 21 62.75 -113.95
REMARK 500 15 PRO A 25 45.89 -82.38
REMARK 500
REMARK 500 THIS ENTRY HAS 98 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS
REMARK 500
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH
REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED
REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.
REMARK 500 MODEL OMEGA
REMARK 500 TRP A 1 LEU A 2 9 148.43
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 GLU A 38 0.07 SIDE CHAIN
REMARK 500 3 ARG A 10 0.08 SIDE CHAIN
REMARK 500 3 GLU A 38 0.09 SIDE CHAIN
REMARK 500 4 ARG A 22 0.13 SIDE CHAIN
REMARK 500 5 ASN A 11 0.07 SIDE CHAIN
REMARK 500 5 ARG A 22 0.17 SIDE CHAIN
REMARK 500 6 ARG A 10 0.11 SIDE CHAIN
REMARK 500 6 ARG A 22 0.14 SIDE CHAIN
REMARK 500 6 GLU A 38 0.08 SIDE CHAIN
REMARK 500 7 ARG A 10 0.09 SIDE CHAIN
REMARK 500 7 ARG A 22 0.09 SIDE CHAIN
REMARK 500 8 PHE A 20 0.08 SIDE CHAIN
REMARK 500 10 ARG A 10 0.09 SIDE CHAIN
REMARK 500 11 ARG A 10 0.08 SIDE CHAIN
REMARK 500 11 ARG A 12 0.12 SIDE CHAIN
REMARK 500 12 ARG A 10 0.09 SIDE CHAIN
REMARK 500 12 ARG A 12 0.12 SIDE CHAIN
REMARK 500 12 ARG A 14 0.09 SIDE CHAIN
REMARK 500 13 ARG A 10 0.11 SIDE CHAIN
REMARK 500 13 ARG A 12 0.10 SIDE CHAIN
REMARK 500 13 ARG A 14 0.11 SIDE CHAIN
REMARK 500 13 PHE A 20 0.11 SIDE CHAIN
REMARK 500 14 ARG A 10 0.13 SIDE CHAIN
REMARK 500 14 ARG A 14 0.14 SIDE CHAIN
REMARK 500 14 PHE A 20 0.10 SIDE CHAIN
REMARK 500 15 ARG A 10 0.14 SIDE CHAIN
REMARK 500 15 ARG A 14 0.15 SIDE CHAIN
REMARK 500 15 PHE A 20 0.08 SIDE CHAIN
REMARK 500 16 ARG A 10 0.16 SIDE CHAIN
REMARK 500 16 ARG A 14 0.13 SIDE CHAIN
REMARK 500 16 PHE A 20 0.13 SIDE CHAIN
REMARK 500 17 ARG A 10 0.14 SIDE CHAIN
REMARK 500 17 ARG A 14 0.12 SIDE CHAIN
REMARK 500 17 PHE A 20 0.15 SIDE CHAIN
REMARK 500 17 GLU A 38 0.07 SIDE CHAIN
REMARK 500 18 ARG A 10 0.12 SIDE CHAIN
REMARK 500 18 ARG A 14 0.08 SIDE CHAIN
REMARK 500 18 PHE A 20 0.10 SIDE CHAIN
REMARK 500 19 HIS A 15 0.10 SIDE CHAIN
REMARK 500 19 ARG A 22 0.17 SIDE CHAIN
REMARK 500 20 ARG A 10 0.09 SIDE CHAIN
REMARK 500 20 HIS A 15 0.12 SIDE CHAIN
REMARK 500 20 ARG A 22 0.18 SIDE CHAIN
REMARK 500 21 ASN A 11 0.09 SIDE CHAIN
REMARK 500 21 ARG A 12 0.09 SIDE CHAIN
REMARK 500 21 HIS A 15 0.12 SIDE CHAIN
REMARK 500 21 ARG A 22 0.14 SIDE CHAIN
REMARK 500 22 PHE A 20 0.17 SIDE CHAIN
REMARK 500 23 PHE A 20 0.16 SIDE CHAIN
REMARK 500 23 ARG A 22 0.09 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 68 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 2 GLU A 5 -12.68
REMARK 500 2 ARG A 12 10.86
REMARK 500 2 PRO A 17 14.27
REMARK 500 2 ARG A 22 -10.31
REMARK 500 2 PRO A 28 -15.83
REMARK 500 2 ALA A 29 -10.30
REMARK 500 2 LYS A 32 -11.02
REMARK 500 3 THR A 13 10.96
REMARK 500 3 PRO A 17 12.67
REMARK 500 3 PRO A 28 -18.63
REMARK 500 3 ALA A 29 -10.22
REMARK 500 3 LYS A 32 -11.27
REMARK 500 4 CYS A 4 -11.09
REMARK 500 4 LEU A 16 10.07
REMARK 500 4 GLN A 19 -12.33
REMARK 500 4 ARG A 22 10.93
REMARK 500 4 ALA A 33 11.49
REMARK 500 5 CYS A 4 -16.01
REMARK 500 5 ARG A 14 10.67
REMARK 500 5 GLN A 19 -19.70
REMARK 500 5 ARG A 22 22.34
REMARK 500 5 LEU A 26 17.19
REMARK 500 5 ALA A 29 12.70
REMARK 500 5 LYS A 32 12.71
REMARK 500 5 ALA A 33 14.20
REMARK 500 6 ARG A 14 13.75
REMARK 500 6 LEU A 26 11.12
REMARK 500 6 MET A 31 11.20
REMARK 500 7 GLN A 19 -13.24
REMARK 500 7 ALA A 29 -10.33
REMARK 500 8 LEU A 16 -16.24
REMARK 500 8 GLN A 19 -15.16
REMARK 500 9 THR A 23 -10.35
REMARK 500 9 GLY A 24 -10.72
REMARK 500 9 CYS A 27 -18.32
REMARK 500 10 ILE A 3 13.66
REMARK 500 10 GLU A 6 -14.04
REMARK 500 10 PRO A 28 -12.01
REMARK 500 10 MET A 31 -11.90
REMARK 500 11 GLU A 5 -11.32
REMARK 500 11 GLY A 24 13.88
REMARK 500 11 LYS A 32 13.94
REMARK 500 11 GLN A 36 -12.55
REMARK 500 12 GLU A 5 -11.47
REMARK 500 12 PRO A 17 11.35
REMARK 500 12 ARG A 22 -12.38
REMARK 500 13 PRO A 17 14.19
REMARK 500 13 GLY A 24 -12.34
REMARK 500 13 CYS A 27 12.40
REMARK 500 13 GLN A 36 10.61
REMARK 500
REMARK 500 THIS ENTRY HAS 74 MAIN CHAIN PLANARITY DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1N5G A 1 38 UNP P09884 DPOA_HUMAN 1345 1382
SEQRES 1 A 38 TRP LEU ILE CYS GLU GLU PRO THR CYS ARG ASN ARG THR
SEQRES 2 A 38 ARG HIS LEU PRO LEU GLN PHE SER ARG THR GLY PRO LEU
SEQRES 3 A 38 CYS PRO ALA CYS MET LYS ALA THR LEU GLN PRO GLU
HELIX 1 1 TRP A 1 GLU A 6 1 6
HELIX 2 2 GLU A 6 LEU A 16 1 11
HELIX 3 3 CYS A 30 GLN A 36 1 7
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 - b 23 2 Bytes