Header list of 1e5g.pdb file
Complete list - l 3 2 Bytes
HEADER COMPLEMENT INHIBITOR 25-JUL-00 1E5G
TITLE SOLUTION STRUCTURE OF CENTRAL CP MODULE PAIR OF A POX VIRUS
TITLE 2 COMPLEMENT INHIBITOR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: COMPLEMENT CONTROL PROTEIN C3;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: MODULES 2 AND 3 RESIDUES 84-203;
COMPND 5 SYNONYM: SP35,28 KDA PROTEIN, SECRETORY PROTEIN 35, PROTEIN C3, VCP;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS;
SOURCE 3 ORGANISM_TAXID: 10249;
SOURCE 4 STRAIN: COPENHAGEN;
SOURCE 5 GENE: C21L;
SOURCE 6 EXPRESSION_SYSTEM: PICHIA PASTORIS;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 4922;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: KM71;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PPICZALPHAA WITHOUT HISTIDINE DEFICIENCY
KEYWDS COMPLEMENT INHIBITOR
EXPDTA SOLUTION NMR
NUMMDL 50
AUTHOR C.E.HENDERSON,K.BROMEK,N.P.MULLIN,B.O.SMITH,D.UHRIN,P.N.BARLOW
REVDAT 4 03-JUL-13 1E5G 1 COMPND SOURCE KEYWDS AUTHOR
REVDAT 4 2 JRNL REMARK VERSN DBREF
REVDAT 4 3 SHEET ATOM TER MASTER
REVDAT 4 4 CONECT
REVDAT 3 24-FEB-09 1E5G 1 VERSN
REVDAT 2 26-APR-01 1E5G 1 JRNL
REVDAT 1 31-AUG-00 1E5G 0
JRNL AUTH C.E.HENDERSON,K.BROMEK,N.P.MULLIN,B.O.SMITH,D.UHRIN,
JRNL AUTH 2 P.N.BARLOW
JRNL TITL SOLUTION STRUCTURE AND DYNAMICS OF THE CENTRAL CCP MODULE
JRNL TITL 2 PAIR OF A POXVIRUS COMPLEMENT CONTROL PROTEIN
JRNL REF J.MOL.BIOL. V. 307 323 2001
JRNL REFN ISSN 0022-2836
JRNL PMID 11243823
JRNL DOI 10.1006/JMBI.2000.4477
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN
REMARK 3 THE JRNL CITATION
REMARK 4
REMARK 4 1E5G COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 26-JUL-00.
REMARK 100 THE PDBE ID CODE IS EBI-5177.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 310
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY,COSY,TOCSY,
REMARK 210 3D HSQC NOESY, TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR
REMARK 210 METHOD USED : ARIA
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 50
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 37
REMARK 210
REMARK 210 REMARK: 15N-LABELLED VCP MODULES 2 AND 3 WAS USED TO OBTAIN
REMARK 210 HSQC NOESY AND TOCSY EXPERIMENTS TO ASSIGN THE BACKBONE
REMARK 210 ATOMS. 2D EXPERIMENTS WERE THEN USED IN CONJUNCTION WITH
REMARK 210 THE 3D TECHNIQUES TO ASSIGN THE SIDE CHAIN ATOMS AND THE
REMARK 210 STRUCTURE WAS CALCULATED USING UNAMBIGUOUS AND AMBIGUOUS
REMARK 210 RESTRAINTS
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC
REMARK 350 SOFTWARE USED: PQS
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 400
REMARK 400 COMPOUND
REMARK 400 FUNCTION: SERVES TO PROTECT THE VIRUS AGAINST COMPLEMENT ATTACK BY
REMARK 400 INHIBITING BOTH CLASSICAL AND ALTERNATIVE PATHWAYS OF COMPLEMENT
REMARK 400 ACTIVATION. BINDS C3B AND C4B.
REMARK 400 SIMILARITY: BELONGS TO THE SUPERFAMILY OF THE REGULATORS OF
REMARK 400 COMPLEMENT ACTIVATION (RCA).
REMARK 400 SIMILARITY: CONTAINS 4 SUSHI (SCR) REPEATS.
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
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 TYR A 48 H ASN A 60 1.57
REMARK 500 H ILE A 106 O THR A 123 1.58
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 ARG A 8 166.70 54.98
REMARK 500 1 SER A 11 104.38 -48.77
REMARK 500 1 PRO A 12 156.92 -49.95
REMARK 500 1 ASN A 17 29.80 39.01
REMARK 500 1 ILE A 22 93.44 -69.81
REMARK 500 1 PHE A 27 97.15 -49.98
REMARK 500 1 ASN A 36 -84.77 -68.25
REMARK 500 1 SER A 45 18.78 -157.38
REMARK 500 1 PRO A 61 96.10 -17.21
REMARK 500 1 GLU A 62 -77.32 -93.94
REMARK 500 1 PRO A 64 -154.81 -86.01
REMARK 500 1 VAL A 69 100.61 -45.79
REMARK 500 1 GLN A 72 -163.83 -70.22
REMARK 500 1 PRO A 75 161.06 -39.71
REMARK 500 1 ASN A 83 -87.84 -104.53
REMARK 500 1 ASP A 91 94.36 -50.51
REMARK 500 1 ASN A 100 -85.89 -98.30
REMARK 500 1 ASP A 120 46.65 70.67
REMARK 500 2 SER A 11 104.30 -48.59
REMARK 500 2 PRO A 12 167.37 -43.09
REMARK 500 2 ASN A 17 45.47 -90.52
REMARK 500 2 ASN A 36 -81.51 -61.70
REMARK 500 2 SER A 37 117.47 -163.60
REMARK 500 2 SER A 45 23.81 -163.15
REMARK 500 2 PRO A 61 101.57 -16.21
REMARK 500 2 GLU A 62 -69.40 -97.88
REMARK 500 2 ALA A 63 76.02 -102.85
REMARK 500 2 PRO A 64 -152.40 -56.90
REMARK 500 2 VAL A 69 101.57 -47.90
REMARK 500 2 GLN A 72 -174.94 -68.61
REMARK 500 2 PRO A 74 -178.62 -37.48
REMARK 500 2 PRO A 75 -166.44 -68.47
REMARK 500 2 ILE A 77 -159.05 -107.75
REMARK 500 2 ASN A 83 -68.70 -123.61
REMARK 500 2 ASP A 91 95.53 -57.54
REMARK 500 2 ASN A 100 -85.47 -56.24
REMARK 500 2 TYR A 103 -171.69 -68.57
REMARK 500 2 LEU A 105 102.99 -49.03
REMARK 500 3 ARG A 13 173.45 -57.88
REMARK 500 3 ASN A 17 40.78 -93.65
REMARK 500 3 ASN A 36 -84.34 -65.30
REMARK 500 3 SER A 45 19.11 -156.40
REMARK 500 3 CYS A 49 80.84 -68.72
REMARK 500 3 THR A 54 33.41 -98.07
REMARK 500 3 PRO A 61 104.29 -18.00
REMARK 500 3 GLU A 62 -81.52 -106.92
REMARK 500 3 PRO A 64 -155.45 -91.52
REMARK 500 3 VAL A 69 97.05 -48.58
REMARK 500 3 GLN A 72 -157.68 -70.81
REMARK 500 3 PRO A 75 157.32 -44.03
REMARK 500
REMARK 500 THIS ENTRY HAS 991 RAMACHANDRAN OUTLIERS.
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 PRO A 74 -12.04
REMARK 500 27 PRO A 74 -12.12
REMARK 500 47 PRO A 74 -12.36
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1VVC RELATED DB: PDB
REMARK 900 C-TERMINAL HALF OF VACCINIA VIRUS COMPLEMENT CONTROL
REMARK 900 PROTEIN, NMR, MINIMIZED AVERAGE STRUCTURE
REMARK 900 RELATED ID: 1VVD RELATED DB: PDB
REMARK 900 C-TERMINAL HALF OF VACCINIA VIRUS COMPLEMENT CONTROL
REMARK 900 PROTEIN, NMR, 21 STRUCTURES
REMARK 900 RELATED ID: 1VVE RELATED DB: PDB
REMARK 900 C-TERMINAL HALF OF VACCINIA VIRUS COMPLEMENT CONTROL
REMARK 900 PROTEIN, NMR, 21 STRUCTURES
DBREF 1E5G A 7 126 UNP P68639 VCP_VACCC 84 203
SEQRES 1 A 120 ARG ARG CYS PRO SER PRO ARG ASP ILE ASP ASN GLY GLN
SEQRES 2 A 120 LEU ASP ILE GLY GLY VAL ASP PHE GLY SER SER ILE THR
SEQRES 3 A 120 TYR SER CYS ASN SER GLY TYR HIS LEU ILE GLY GLU SER
SEQRES 4 A 120 LYS SER TYR CYS GLU LEU GLY SER THR GLY SER MET VAL
SEQRES 5 A 120 TRP ASN PRO GLU ALA PRO ILE CYS GLU SER VAL LYS CYS
SEQRES 6 A 120 GLN SER PRO PRO SER ILE SER ASN GLY ARG HIS ASN GLY
SEQRES 7 A 120 TYR GLU ASP PHE TYR THR ASP GLY SER VAL VAL THR TYR
SEQRES 8 A 120 SER CYS ASN SER GLY TYR SER LEU ILE GLY ASN SER GLY
SEQRES 9 A 120 VAL LEU CYS SER GLY GLY GLU TRP SER ASP PRO PRO THR
SEQRES 10 A 120 CYS GLN ILE
SHEET 1 AA 4 GLY A 18 ILE A 22 0
SHEET 2 AA 4 SER A 30 CYS A 35 -1 O THR A 32 N ASP A 21
SHEET 3 AA 4 LYS A 46 LEU A 51 -1 O SER A 47 N ILE A 31
SHEET 4 AA 4 MET A 57 TRP A 59 -1 O VAL A 58 N GLU A 50
SHEET 1 AB 2 TYR A 39 HIS A 40 0
SHEET 2 AB 2 GLU A 67 SER A 68 -1 O GLU A 67 N HIS A 40
SHEET 1 AC 2 CYS A 71 GLN A 72 0
SHEET 2 AC 2 PHE A 88 TYR A 89 -1 O TYR A 89 N CYS A 71
SHEET 1 AD 4 GLY A 80 HIS A 82 0
SHEET 2 AD 4 SER A 93 CYS A 99 -1 O SER A 98 N ARG A 81
SHEET 3 AD 4 GLY A 110 CYS A 113 -1 O VAL A 111 N VAL A 95
SHEET 4 AD 4 TRP A 118 SER A 119 -1 O SER A 119 N LEU A 112
SHEET 1 AE 2 SER A 104 ILE A 106 0
SHEET 2 AE 2 THR A 123 GLN A 125 -1 O THR A 123 N ILE A 106
SSBOND 1 CYS A 9 CYS A 49 1555 1555 2.18
SSBOND 2 CYS A 35 CYS A 66 1555 1555 2.10
SSBOND 3 CYS A 71 CYS A 113 1555 1555 2.20
SSBOND 4 CYS A 99 CYS A 124 1555 1555 2.19
CISPEP 1 PRO A 74 PRO A 75 2 -18.85
CISPEP 2 ASN A 60 PRO A 61 5 -0.02
CISPEP 3 ASN A 60 PRO A 61 6 1.44
CISPEP 4 ALA A 63 PRO A 64 6 12.30
CISPEP 5 ASN A 60 PRO A 61 9 1.09
CISPEP 6 ALA A 63 PRO A 64 10 16.21
CISPEP 7 ALA A 63 PRO A 64 12 19.14
CISPEP 8 ASN A 60 PRO A 61 14 -0.74
CISPEP 9 ASN A 60 PRO A 61 15 -0.90
CISPEP 10 ASN A 60 PRO A 61 17 2.08
CISPEP 11 ASP A 120 PRO A 121 19 -17.35
CISPEP 12 ASN A 60 PRO A 61 23 -0.98
CISPEP 13 ASN A 60 PRO A 61 26 -0.31
CISPEP 14 PRO A 74 PRO A 75 27 -18.85
CISPEP 15 ASP A 120 PRO A 121 34 -14.08
CISPEP 16 ASN A 60 PRO A 61 40 1.79
CISPEP 17 ASN A 60 PRO A 61 41 1.36
CISPEP 18 ASP A 120 PRO A 121 42 -21.24
CISPEP 19 ASN A 60 PRO A 61 43 -0.34
CISPEP 20 ASN A 60 PRO A 61 44 0.01
CISPEP 21 ASN A 60 PRO A 61 45 -0.52
CISPEP 22 PRO A 74 PRO A 75 47 -19.26
CISPEP 23 ASN A 60 PRO A 61 48 -0.65
CISPEP 24 ALA A 63 PRO A 64 49 15.44
CISPEP 25 SER A 11 PRO A 12 50 -0.97
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 - l 3 2 Bytes