Header list of 1yez.pdb file
Complete list - 25 20 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-DEC-04 1YEZ
TITLE SOLUTION STRUCTURE OF THE CONSERVED PROTEIN FROM THE GENE LOCUS MM1357
TITLE 2 OF METHANOSARCINA MAZEI. NORTHEAST STRUCTURAL GENOMICS TARGET MAR30.
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: MM1357;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA MAZEI;
SOURCE 3 ORGANISM_TAXID: 192952;
SOURCE 4 STRAIN: GO1;
SOURCE 5 GENE: LOCUS MM1357;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21MGK;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PET21;
SOURCE 11 EXPRESSION_SYSTEM_PLASMID: MAR30-21.1
KEYWDS MAR30, AUTOSTRUCTURE, NORTHEAST STRUCTURAL GENOMICS, PSI, PROTEIN
KEYWDS 2 STRUCTURE INITIATIVE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM,
KEYWDS 3 NESG, STRUCTURAL GENOMICS, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR P.ROSSI,J.M.ARAMINI,G.V.T.SWAPNA,Y.P.HUANG,R.XIAO,C.K.HO,L.C.MA,
AUTHOR 2 T.B.ACTON,G.T.MONTELIONE,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM
AUTHOR 3 (NESG)
REVDAT 4 13-JUL-11 1YEZ 1 VERSN
REVDAT 3 24-FEB-09 1YEZ 1 VERSN
REVDAT 2 05-APR-05 1YEZ 1 JRNL COMPND TITLE
REVDAT 1 22-FEB-05 1YEZ 0
JRNL AUTH P.ROSSI,J.M.ARAMINI,G.V.T.SWAPNA,Y.P.HUANG,R.XIAO,C.K.HO,
JRNL AUTH 2 L.C.MA,T.B.ACTON,G.T.MONTELIONE
JRNL TITL SOLUTION STRUCTURE OF THE CONSERVED PROTEIN FROM THE GENE
JRNL TITL 2 LOCUS MM1357 OF METHANOSARCINA MAZEI. NORTHEAST STRUCTURAL
JRNL TITL 3 GENOMICS TARGET MAR30.
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : AUTOSTRUCTURE 2.1.0
REMARK 3 AUTHORS : HUANG,MONTELIONE
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1YEZ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-JAN-05.
REMARK 100 THE RCSB ID CODE IS RCSB031439.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 100 MM NACL
REMARK 210 PRESSURE : ATMOSPHERIC ATM
REMARK 210 SAMPLE CONTENTS : 2MM MAR30 U-13C,15N, 0.02% NAN3,
REMARK 210 10MM DTT, 5MM CACL2, 100MM NACL,
REMARK 210 20MM MES, 5% D2O/95% H2O; 0.56MM
REMARK 210 MAR30 U-13C,15N, 0.02% NAN3, 10MM
REMARK 210 DTT, 5MM CACL2, 100MM NACL, 20MM
REMARK 210 MES, 100% D2O; 0.78MM MAR30 U-
REMARK 210 15N,5% 13C 0.02% NAN3, 10MM DTT,
REMARK 210 5MM CACL2, 100MM NACL, 20MM MES,
REMARK 210 5% D2O/95% H2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N-
REMARK 210 SEPARATED_NOESY; HI-RES CH-HSQC,
REMARK 210 HCCH-COSY; HI-RES CH-HSQC (STEREO
REMARK 210 V AND L METH.), HNHA; TR EXP.
REMARK 210 BACKBONE, TOCSYS, HCCH-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA; AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : VNMR 6.1C, XWINNMR 3.5, NMRPIPE
REMARK 210 2.1, SPARKY 3.91, AUTOASSIGN 1.14
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 56
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: CS ASSIGN.: BACKBONE AUTOASSIGN, SIDECHAIN HCCH-COSY AND
REMARK 210 TOCSYS. AUTOSTRUCTURE FOR NOESY ASSIGN. HYPER DIHEDRAL, DYANA,
REMARK 210 XPLOR(NIH), AND CNS FORCE-FIELD FOR SIMULATED ANNEALING AND RPF
REMARK 210 SCORE CALCULATION.
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 94.68 -68.12
REMARK 500 1 ARG A 26 92.94 -64.62
REMARK 500 1 GLN A 27 -27.11 166.27
REMARK 500 1 GLU A 35 12.89 57.56
REMARK 500 1 VAL A 54 97.24 -69.29
REMARK 500 2 SER A 6 13.07 57.81
REMARK 500 2 ARG A 7 -57.68 66.36
REMARK 500 2 ARG A 26 85.63 57.88
REMARK 500 2 GLN A 27 -24.85 171.56
REMARK 500 2 VAL A 54 99.13 -69.25
REMARK 500 3 PHE A 2 -77.84 176.37
REMARK 500 3 ARG A 3 22.92 -175.12
REMARK 500 3 GLU A 5 -170.47 67.61
REMARK 500 3 SER A 8 33.86 -82.39
REMARK 500 3 VAL A 54 98.40 -68.94
REMARK 500 4 ARG A 3 -165.87 66.66
REMARK 500 4 SER A 6 14.37 59.77
REMARK 500 4 ARG A 7 -76.97 62.60
REMARK 500 4 SER A 8 -161.31 66.51
REMARK 500 4 VAL A 9 70.65 35.33
REMARK 500 4 GLN A 27 -36.06 -158.60
REMARK 500 5 SER A 6 -51.49 -137.88
REMARK 500 5 ARG A 7 120.25 64.55
REMARK 500 5 VAL A 9 170.26 60.39
REMARK 500 5 PRO A 59 -1.46 -58.89
REMARK 500 6 GLU A 4 71.00 61.60
REMARK 500 6 GLU A 5 -156.71 42.46
REMARK 500 6 SER A 6 -55.51 -133.79
REMARK 500 6 ARG A 7 67.80 -175.80
REMARK 500 7 ARG A 3 152.45 73.67
REMARK 500 7 ARG A 7 -36.97 67.38
REMARK 500 7 SER A 8 70.79 62.20
REMARK 500 7 ALA A 25 -150.79 -98.55
REMARK 500 7 GLN A 27 -74.84 72.65
REMARK 500 8 ARG A 3 -53.87 -150.07
REMARK 500 8 GLU A 4 -19.63 177.96
REMARK 500 8 GLU A 5 -158.72 74.30
REMARK 500 8 ARG A 7 -159.37 -88.92
REMARK 500 8 PRO A 59 11.00 -68.13
REMARK 500 9 PHE A 2 95.98 64.86
REMARK 500 9 ARG A 3 -9.69 71.89
REMARK 500 9 GLU A 5 -154.45 56.44
REMARK 500 9 SER A 8 -20.85 66.62
REMARK 500 10 PHE A 2 -169.28 62.74
REMARK 500 10 ARG A 3 -35.99 -156.54
REMARK 500 10 GLU A 4 96.52 75.18
REMARK 500 10 GLU A 5 -163.47 -75.70
REMARK 500 10 SER A 6 76.64 73.62
REMARK 500 10 SER A 8 96.55 -67.93
REMARK 500 10 VAL A 9 115.95 69.97
REMARK 500
REMARK 500 THIS ENTRY HAS 53 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MAR30 RELATED DB: TARGETDB
DBREF 1YEZ A 1 68 UNP Q8PX65 Q8PX65_METMA 1 68
SEQRES 1 A 68 MET PHE ARG GLU GLU SER ARG SER VAL PRO VAL GLU GLU
SEQRES 2 A 68 GLY GLU VAL TYR ASP VAL THR ILE GLN ASP ILE ALA ARG
SEQRES 3 A 68 GLN GLY ASP GLY ILE ALA ARG ILE GLU GLY PHE VAL ILE
SEQRES 4 A 68 PHE VAL PRO GLY THR LYS VAL GLY ASP GLU VAL ARG ILE
SEQRES 5 A 68 LYS VAL GLU ARG VAL LEU PRO LYS PHE ALA PHE ALA SER
SEQRES 6 A 68 VAL VAL GLU
SHEET 1 A 6 GLU A 15 THR A 20 0
SHEET 2 A 6 GLU A 49 VAL A 57 -1 O ILE A 52 N TYR A 17
SHEET 3 A 6 ALA A 62 VAL A 66 -1 O SER A 65 N LYS A 53
SHEET 4 A 6 PHE A 37 PRO A 42 1 N PHE A 40 O ALA A 62
SHEET 5 A 6 ASP A 29 ILE A 34 -1 N ALA A 32 O ILE A 39
SHEET 6 A 6 ASP A 23 ILE A 24 -1 N ASP A 23 O ILE A 31
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 - 25 20 Bytes