Header list of 1ywx.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-FEB-05 1YWX
TITLE SOLUTION STRUCTURE OF METHANOCOCCUS MARIPALUDIS PROTEIN MMP0443: THE
TITLE 2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET MRR16
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: 30S RIBOSOMAL PROTEIN S24E;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCOCCUS MARIPALUDIS;
SOURCE 3 ORGANISM_TAXID: 39152;
SOURCE 4 GENE: RPS24E;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS GFT NMR, MRR16, NESGC, STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE
KEYWDS 2 INITIATIVE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, UNKNOWN
KEYWDS 3 FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR C.S.YANG,T.ACTON,Y.SHEN,L.MA,G.LIU,R.XIAO,G.T.MONTELIONE,T.SZYPERSKI,
AUTHOR 2 NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG)
REVDAT 4 02-MAR-22 1YWX 1 REMARK ATOM
REVDAT 3 24-FEB-09 1YWX 1 VERSN
REVDAT 2 18-APR-06 1YWX 1 AUTHOR
REVDAT 1 05-APR-05 1YWX 0
JRNL AUTH C.S.YANG,T.ACTON,Y.SHEN,L.MA,G.LIU,R.XIAO,G.T.MONTELIONE,
JRNL AUTH 2 T.SZYPERSKI
JRNL TITL SOLUTION STRUCTURE OF METHANOCOCCUS MARIPALUDIS PROTEIN
JRNL TITL 2 MMP0443: THE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET
JRNL TITL 3 MRR16
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : PROSA 6.0, DYANA 1.5
REMARK 3 AUTHORS : GUENTERT, P (PROSA), GUENTERT, P (DYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1YWX COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-FEB-05.
REMARK 100 THE DEPOSITION ID IS D_1000032015.
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 : N.A.
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : U-15N,13C
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : GFT (4,3)D HNNCABCA; GFT (4,3)D
REMARK 210 CABCA(CO)NHN; GFT (4,3)D
REMARK 210 HABCAB(CO)NHN; GFT (4,3)D HCCH;
REMARK 210 SIMULTANEOUS HETERONUCLEAR
REMARK 210 RESOLVED [1H,1H]-NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 750 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XEASY 1.3.1.3, DYANA 1.5
REMARK 210 METHOD USED : SIMULATED ANNEALING TORSION
REMARK 210 ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
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: 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 H VAL A 23 O ALA A 64 1.52
REMARK 500 H ILE A 58 O GLU A 63 1.53
REMARK 500 O LEU A 39 H LEU A 43 1.54
REMARK 500 O GLU A 74 H ALA A 78 1.57
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 15 38.16 39.37
REMARK 500 1 ALA A 27 -57.11 75.80
REMARK 500 1 ALA A 28 112.16 -38.25
REMARK 500 1 PRO A 30 -162.11 -74.93
REMARK 500 1 SER A 31 -169.09 -119.41
REMARK 500 1 ASN A 44 61.55 65.71
REMARK 500 1 VAL A 49 52.78 -96.55
REMARK 500 1 LYS A 61 -154.76 -120.55
REMARK 500 1 LEU A 62 53.67 -103.47
REMARK 500 1 THR A 79 -61.96 -92.88
REMARK 500 1 ILE A 80 -79.00 -50.45
REMARK 500 1 GLU A 81 171.38 -45.80
REMARK 500 1 ASN A 89 108.48 -41.09
REMARK 500 1 ILE A 91 -82.55 -57.67
REMARK 500 1 GLU A 94 -158.02 -88.14
REMARK 500 1 ALA A 95 86.16 164.53
REMARK 500 1 GLU A 101 164.08 57.62
REMARK 500 2 GLN A 15 35.73 38.08
REMARK 500 2 ALA A 27 -73.46 163.04
REMARK 500 2 PRO A 30 -162.02 -75.00
REMARK 500 2 VAL A 49 57.49 -110.04
REMARK 500 2 LYS A 61 -152.56 -139.01
REMARK 500 2 LEU A 62 40.01 -98.66
REMARK 500 2 THR A 79 -65.30 -96.70
REMARK 500 2 ILE A 80 -73.76 -44.15
REMARK 500 2 GLU A 81 172.71 -47.31
REMARK 500 2 ILE A 91 -78.24 -63.73
REMARK 500 2 ALA A 95 66.51 176.33
REMARK 500 2 GLU A 101 168.66 67.45
REMARK 500 3 GLN A 15 40.97 73.50
REMARK 500 3 ALA A 27 154.14 63.32
REMARK 500 3 ALA A 28 99.79 53.96
REMARK 500 3 PRO A 30 -161.97 -75.06
REMARK 500 3 VAL A 49 53.86 -99.25
REMARK 500 3 LYS A 61 -153.03 -127.80
REMARK 500 3 LEU A 62 44.17 -99.93
REMARK 500 3 THR A 79 -65.68 -99.96
REMARK 500 3 ILE A 80 -81.07 -51.86
REMARK 500 3 GLU A 81 148.54 -37.75
REMARK 500 3 ILE A 91 -81.11 -52.02
REMARK 500 3 ALA A 95 67.18 167.28
REMARK 500 3 ALA A 97 124.28 61.95
REMARK 500 3 GLU A 98 -48.04 -169.95
REMARK 500 3 GLU A 101 168.58 73.43
REMARK 500 4 ILE A 6 -61.83 -94.05
REMARK 500 4 LEU A 13 -80.67 -41.22
REMARK 500 4 GLN A 15 47.41 70.06
REMARK 500 4 ALA A 27 -79.60 -176.93
REMARK 500 4 ALA A 28 143.53 -174.75
REMARK 500 4 PRO A 30 -90.21 -74.99
REMARK 500
REMARK 500 THIS ENTRY HAS 315 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MRR16 RELATED DB: TARGETDB
DBREF 1YWX A 1 102 UNP P61193 RS24_METMP 1 102
SEQRES 1 A 102 MET ASP ILE SER ILE ILE SER ASP ARG ASN ASN PRO LEU
SEQRES 2 A 102 LEU GLN ARG ARG GLU ILE LYS PHE THR VAL SER PHE ASP
SEQRES 3 A 102 ALA ALA THR PRO SER ILE LYS ASP VAL LYS MET LYS LEU
SEQRES 4 A 102 VAL ALA VAL LEU ASN ALA ASN LYS GLN VAL LEU VAL VAL
SEQRES 5 A 102 ASP THR LEU ASP GLN ILE PHE GLY LYS LEU GLU ALA GLU
SEQRES 6 A 102 GLY TYR ALA LYS ILE TYR ASN ASP GLU LYS ALA MET ALA
SEQRES 7 A 102 THR ILE GLU THR LYS SER VAL LEU GLU LYS ASN LYS ILE
SEQRES 8 A 102 GLU GLU GLU ALA GLU ALA GLU VAL ALA GLU GLU
HELIX 1 1 SER A 31 ASN A 44 1 14
HELIX 2 2 ASP A 73 ILE A 80 1 8
HELIX 3 3 THR A 82 ASN A 89 1 8
SHEET 1 A 4 ASP A 2 ASN A 11 0
SHEET 2 A 4 ARG A 16 SER A 24 -1 O GLU A 18 N ARG A 9
SHEET 3 A 4 GLU A 63 ILE A 70 -1 O ALA A 64 N VAL A 23
SHEET 4 A 4 LEU A 50 GLN A 57 -1 N ASP A 56 O GLU A 65
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 2 2 Bytes