Header list of 1jjg.pdb file
Complete list - g 9 2 Bytes
HEADER VIRAL PROTEIN 05-JUL-01 1JJG
TITLE SOLUTION STRUCTURE OF MYXOMA VIRUS PROTEIN M156R
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: M156R;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MYXOMA VIRUS (STRAIN LAUSANNE);
SOURCE 3 ORGANISM_TAXID: 31530;
SOURCE 4 STRAIN: LAUSANNE;
SOURCE 5 GENE: M156R;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21-LAMDADE3;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET15B
KEYWDS BETA BARREL, S1 MOTIF, OB FOLD, MYXV156R, NESG PROJECT, STRUCTURAL
KEYWDS 2 GENOMICS, EIF-2A HOMOLOG, PSI, PROTEIN STRUCTURE INITIATIVE,
KEYWDS 3 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, VIRAL PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.A.RAMELOT,J.R.CORT,A.A.YEE,C.H.ARROWSMITH,M.A.KENNEDY,NORTHEAST
AUTHOR 2 STRUCTURAL GENOMICS CONSORTIUM (NESG)
REVDAT 7 14-JUN-23 1JJG 1 REMARK
REVDAT 6 05-FEB-20 1JJG 1 REMARK
REVDAT 5 24-FEB-09 1JJG 1 VERSN
REVDAT 4 25-JAN-05 1JJG 1 AUTHOR KEYWDS REMARK
REVDAT 3 13-JAN-04 1JJG 1 JRNL
REVDAT 2 16-OCT-02 1JJG 2 KEYWDS AUTHOR JRNL REMARK
REVDAT 2 2 2 MASTER
REVDAT 1 06-MAR-02 1JJG 0
JRNL AUTH T.A.RAMELOT,J.R.CORT,A.A.YEE,F.LIU,M.B.GOSHE,A.M.EDWARDS,
JRNL AUTH 2 R.D.SMITH,C.H.ARROWSMITH,T.E.DEVER,M.A.KENNEDY
JRNL TITL MYXOMA VIRUS IMMUNOMODULATORY PROTEIN M156R IS A STRUCTURAL
JRNL TITL 2 MIMIC OF EUKARYOTIC TRANSLATION INITIATION FACTOR EIF2ALPHA.
JRNL REF J.MOL.BIOL. V. 322 943 2002
JRNL REFN ISSN 0022-2836
JRNL PMID 12367520
JRNL DOI 10.1016/S0022-2836(02)00858-6
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH A.YEE,X.CHANG,A.PINEDA-LUCENA,B.WU,A.SEMESI,B.LE,T.RAMELOT,
REMARK 1 AUTH 2 G.M.LEE,S.BHATTACHARYYA,P.GUTIERREZ,A.DENISOV,C.-H.LEE,
REMARK 1 AUTH 3 J.R.CORT,G.KOZLOV,J.LIAO,G.FINAK,L.CHEN,D.WISHART,W.LEE,
REMARK 1 AUTH 4 L.P.MCINTOSH,K.KALLE GEHRING,M.A.KENNEDY,A.M.EDWARDS,
REMARK 1 AUTH 5 C.H.ARROWSMITH
REMARK 1 TITL AN NMR APPROACH TO STRUCTURAL PROTEOMICS
REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 99 1825 2002
REMARK 1 REFN ISSN 0027-8424
REMARK 1 PMID 11854485
REMARK 1 DOI 10.1073/PNAS.042684599
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.84, X-PLOR 3.84
REMARK 3 AUTHORS : BRUNGER (X-PLOR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 326 NOE-DERIVED RESTRAINTS, 66 DIHEDRAL ANGLE RESTRAINTS, 48
REMARK 3 DISTANCE RESTRAINTS
REMARK 3 FROM HYDROGEN BONDS.
REMARK 4
REMARK 4 1JJG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-JUL-01.
REMARK 100 THE DEPOSITION ID IS D_1000013843.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 450 MM NACL, 25 MM NA2PO4
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1 MM M156R, U-15N, 13C; 25 MM
REMARK 210 PHOSPHATE BUFFER, PH 6.5; 1 MM
REMARK 210 M156R, U-15N, 13C; 25 MM
REMARK 210 PHOSPHATE BUFFER, PH 6.1; 1 MM
REMARK 210 M156R, U-15N; 25 MM PHOSPHATE
REMARK 210 BUFFER, PH 6.5
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY;
REMARK 210 4D_13C/15N-SEPARATED_NOESY; HNHA;
REMARK 210 2H_EXCHANGE; NH_HSQC
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 750 MHZ; 600 MHZ; 500
REMARK 210 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX 98, VNMR, SPARKY 3.1
REMARK 210 METHOD USED : DISTANCE GEOMETRY AND SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : ALL CALCULATED STRUCTURES
REMARK 210 SUBMITTED
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
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 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: 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 8 77.75 -156.76
REMARK 500 1 ARG A 11 67.17 -150.56
REMARK 500 1 ASN A 17 87.32 -160.81
REMARK 500 1 LYS A 19 93.89 45.98
REMARK 500 1 THR A 22 72.17 -154.89
REMARK 500 1 ARG A 24 -169.60 61.36
REMARK 500 1 ALA A 27 147.81 74.34
REMARK 500 1 MET A 28 147.70 168.41
REMARK 500 1 ASP A 29 140.12 177.85
REMARK 500 1 LEU A 30 21.93 -151.06
REMARK 500 1 LYS A 43 142.46 -178.95
REMARK 500 1 GLU A 55 96.09 57.87
REMARK 500 1 LEU A 65 -82.54 -77.37
REMARK 500 1 TYR A 67 112.34 -176.84
REMARK 500 1 ARG A 68 143.65 67.08
REMARK 500 1 ASP A 70 49.41 -156.06
REMARK 500 1 LEU A 72 44.79 -157.94
REMARK 500 1 ASP A 73 89.30 -151.71
REMARK 500 1 VAL A 80 160.15 -40.74
REMARK 500 1 ARG A 82 156.64 -37.86
REMARK 500 1 ARG A 90 103.60 178.46
REMARK 500 1 LEU A 94 -57.13 84.39
REMARK 500 2 THR A 2 -54.02 -132.22
REMARK 500 2 LYS A 5 67.15 -172.65
REMARK 500 2 ARG A 9 85.95 -154.93
REMARK 500 2 ARG A 11 -58.69 -179.02
REMARK 500 2 ILE A 18 92.55 -60.64
REMARK 500 2 LYS A 19 -36.54 -170.30
REMARK 500 2 THR A 22 51.33 -169.40
REMARK 500 2 ARG A 24 58.47 -163.05
REMARK 500 2 THR A 25 167.69 -49.93
REMARK 500 2 GLU A 55 84.49 62.53
REMARK 500 2 ASN A 66 78.27 75.07
REMARK 500 2 TYR A 67 177.86 64.00
REMARK 500 2 ARG A 68 -164.49 63.00
REMARK 500 2 GLN A 69 114.37 -177.59
REMARK 500 2 THR A 71 61.33 -156.19
REMARK 500 2 VAL A 80 165.59 -42.98
REMARK 500 2 ARG A 82 156.78 -38.96
REMARK 500 2 ARG A 90 101.87 -179.03
REMARK 500 3 THR A 2 66.74 -163.37
REMARK 500 3 ILE A 4 74.02 40.00
REMARK 500 3 LYS A 5 70.68 -155.10
REMARK 500 3 SER A 7 -45.87 -171.18
REMARK 500 3 SER A 8 86.61 51.29
REMARK 500 3 LYS A 14 69.85 -116.76
REMARK 500 3 LYS A 16 -89.85 -103.32
REMARK 500 3 ASN A 21 87.04 -166.75
REMARK 500 3 ARG A 24 88.81 44.67
REMARK 500 3 ALA A 27 129.51 67.13
REMARK 500
REMARK 500 THIS ENTRY HAS 424 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 ARG A 9 0.23 SIDE CHAIN
REMARK 500 1 ARG A 11 0.30 SIDE CHAIN
REMARK 500 1 ARG A 13 0.32 SIDE CHAIN
REMARK 500 1 ARG A 24 0.09 SIDE CHAIN
REMARK 500 1 ARG A 50 0.18 SIDE CHAIN
REMARK 500 1 ARG A 68 0.22 SIDE CHAIN
REMARK 500 1 ARG A 74 0.30 SIDE CHAIN
REMARK 500 1 ARG A 78 0.27 SIDE CHAIN
REMARK 500 1 ARG A 82 0.17 SIDE CHAIN
REMARK 500 1 ARG A 87 0.12 SIDE CHAIN
REMARK 500 1 ARG A 90 0.28 SIDE CHAIN
REMARK 500 1 ARG A 99 0.28 SIDE CHAIN
REMARK 500 1 ARG A 100 0.24 SIDE CHAIN
REMARK 500 2 ARG A 9 0.31 SIDE CHAIN
REMARK 500 2 ARG A 11 0.27 SIDE CHAIN
REMARK 500 2 ARG A 13 0.30 SIDE CHAIN
REMARK 500 2 ARG A 24 0.31 SIDE CHAIN
REMARK 500 2 ARG A 50 0.20 SIDE CHAIN
REMARK 500 2 ARG A 68 0.19 SIDE CHAIN
REMARK 500 2 ARG A 74 0.30 SIDE CHAIN
REMARK 500 2 ARG A 78 0.19 SIDE CHAIN
REMARK 500 2 ARG A 82 0.22 SIDE CHAIN
REMARK 500 2 ARG A 87 0.25 SIDE CHAIN
REMARK 500 2 ARG A 90 0.08 SIDE CHAIN
REMARK 500 2 ARG A 99 0.32 SIDE CHAIN
REMARK 500 2 ARG A 100 0.14 SIDE CHAIN
REMARK 500 3 ARG A 9 0.31 SIDE CHAIN
REMARK 500 3 ARG A 11 0.25 SIDE CHAIN
REMARK 500 3 ARG A 13 0.26 SIDE CHAIN
REMARK 500 3 ARG A 24 0.31 SIDE CHAIN
REMARK 500 3 ARG A 50 0.18 SIDE CHAIN
REMARK 500 3 ARG A 68 0.32 SIDE CHAIN
REMARK 500 3 ARG A 74 0.15 SIDE CHAIN
REMARK 500 3 ARG A 78 0.12 SIDE CHAIN
REMARK 500 3 ARG A 82 0.32 SIDE CHAIN
REMARK 500 3 ARG A 87 0.18 SIDE CHAIN
REMARK 500 3 ARG A 90 0.09 SIDE CHAIN
REMARK 500 3 ARG A 99 0.32 SIDE CHAIN
REMARK 500 3 ARG A 100 0.14 SIDE CHAIN
REMARK 500 4 ARG A 9 0.26 SIDE CHAIN
REMARK 500 4 ARG A 11 0.32 SIDE CHAIN
REMARK 500 4 ARG A 13 0.29 SIDE CHAIN
REMARK 500 4 ARG A 24 0.18 SIDE CHAIN
REMARK 500 4 ARG A 50 0.25 SIDE CHAIN
REMARK 500 4 ARG A 68 0.13 SIDE CHAIN
REMARK 500 4 ARG A 74 0.31 SIDE CHAIN
REMARK 500 4 ARG A 78 0.23 SIDE CHAIN
REMARK 500 4 ARG A 82 0.30 SIDE CHAIN
REMARK 500 4 ARG A 87 0.18 SIDE CHAIN
REMARK 500 4 ARG A 90 0.22 SIDE CHAIN
REMARK 500
REMARK 500 THIS ENTRY HAS 254 PLANE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 5077 RELATED DB: BMRB
REMARK 900 BMRB 5077 IS THE 1H, 13C AND 15N RESONANCE ASSIGNMENTS FOR M156R
REMARK 900 RELATED ID: OP2 RELATED DB: TARGETDB
DBREF 1JJG A 1 102 UNP Q9Q8E9 Q9Q8E9_9POXV 1 102
SEQRES 1 A 102 MET THR VAL ILE LYS PRO SER SER ARG PRO ARG PRO ARG
SEQRES 2 A 102 LYS ASN LYS ASN ILE LYS VAL ASN THR TYR ARG THR SER
SEQRES 3 A 102 ALA MET ASP LEU SER PRO GLY SER VAL HIS GLU GLY ILE
SEQRES 4 A 102 VAL TYR PHE LYS ASP GLY ILE PHE LYS VAL ARG LEU LEU
SEQRES 5 A 102 GLY TYR GLU GLY HIS GLU CYS ILE LEU LEU ASP TYR LEU
SEQRES 6 A 102 ASN TYR ARG GLN ASP THR LEU ASP ARG LEU LYS GLU ARG
SEQRES 7 A 102 LEU VAL GLY ARG VAL ILE LYS THR ARG VAL VAL ARG ALA
SEQRES 8 A 102 ASP GLY LEU TYR VAL ASP LEU ARG ARG PHE PHE
HELIX 1 1 ASP A 73 VAL A 80 1 8
SHEET 1 A 6 VAL A 35 LYS A 43 0
SHEET 2 A 6 ILE A 46 ARG A 50 -1 O ILE A 46 N LYS A 43
SHEET 3 A 6 GLU A 58 LEU A 61 -1 N CYS A 59 O VAL A 49
SHEET 4 A 6 TYR A 95 ARG A 99 1 O VAL A 96 N ILE A 60
SHEET 5 A 6 VAL A 83 ALA A 91 -1 O ARG A 87 N ARG A 99
SHEET 6 A 6 VAL A 35 LYS A 43 -1 O HIS A 36 N THR A 86
CRYST1 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 - g 9 2 Bytes