Header list of 1wxs.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-FEB-05 1WXS
TITLE SOLUTION STRUCTURE OF UFM1, A UBIQUITIN-FOLD MODIFIER
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: UBIQUITIN-FOLD MODIFIER 1;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS UBIQUITIN-FOLD, STRUCTURAL GENOMICS, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR H.SASAKAWA,E.SAKATA,Y.YAMAGUCHI,M.KOMATSU,K.TATSUMI,E.KOMINAMI,
AUTHOR 2 K.TANAKA,K.KATO
REVDAT 3 02-MAR-22 1WXS 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1WXS 1 VERSN
REVDAT 1 18-APR-06 1WXS 0
JRNL AUTH H.SASAKAWA,E.SAKATA,Y.YAMAGUCHI,M.KOMATSU,K.TATSUMI,
JRNL AUTH 2 E.KOMINAMI,K.TANAKA,K.KATO
JRNL TITL SOLUTION STRUCTURE AND DYNAMICS OF UFM1, A UBIQUITIN-FOLD
JRNL TITL 2 MODIFIER 1
JRNL REF BIOCHEM.BIOPHYS.RES.COMMUN. V. 343 21 2006
JRNL REFN ISSN 0006-291X
JRNL PMID 16527251
JRNL DOI 10.1016/J.BBRC.2006.02.107
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE, CYANA 2.0
REMARK 3 AUTHORS : DELAGLIO (NMRPIPE), GUNTERT (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WXS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 02-FEB-05.
REMARK 100 THE DEPOSITION ID IS D_1000024128.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 100MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.1MM UFM1 U-13C,15N; 10MM
REMARK 210 PHOSPHATE BUFFER NA; 100MM NACL;
REMARK 210 90% H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : DMX; AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : OLIVIA 1.10.5, CYANA 2.0
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
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: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D
REMARK 210 HOMONUCLEAR TECHNIQUES.
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 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465 MODELS 1-10
REMARK 465 RES C SSSEQI
REMARK 465 SER A 84
REMARK 465 CYS A 85
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 MET A 1 -36.37 -178.76
REMARK 500 1 ARG A 15 -70.49 -58.34
REMARK 500 1 PRO A 17 -170.93 -69.97
REMARK 500 1 PRO A 28 98.76 -69.72
REMARK 500 1 PHE A 35 -70.30 -60.67
REMARK 500 1 SER A 72 -34.89 179.92
REMARK 500 1 VAL A 82 -42.63 -136.16
REMARK 500 2 SER A 0 -60.77 -95.27
REMARK 500 2 MET A 1 58.91 -173.77
REMARK 500 2 SER A 2 125.58 -172.86
REMARK 500 2 THR A 11 -30.88 179.78
REMARK 500 2 ASP A 13 161.90 60.74
REMARK 500 2 ARG A 15 -41.26 -158.81
REMARK 500 2 PRO A 43 -177.39 -69.55
REMARK 500 2 THR A 51 -176.98 -59.11
REMARK 500 2 GLN A 61 -173.93 -175.64
REMARK 500 2 ASP A 80 -176.14 57.93
REMARK 500 2 VAL A 82 -44.72 -133.99
REMARK 500 3 PRO A -3 -171.30 -69.97
REMARK 500 3 SER A 0 141.40 -172.88
REMARK 500 3 THR A 11 -40.66 -150.89
REMARK 500 3 ARG A 15 -70.15 -55.91
REMARK 500 3 PRO A 17 -178.16 -69.86
REMARK 500 3 SER A 26 74.56 -100.28
REMARK 500 3 PRO A 43 -170.08 -69.81
REMARK 500 3 ALA A 48 115.17 -171.74
REMARK 500 3 GLN A 61 -169.62 -174.70
REMARK 500 3 GLU A 73 90.29 -64.61
REMARK 500 3 ASP A 80 179.16 62.00
REMARK 500 4 LEU A -2 68.60 -119.12
REMARK 500 4 MET A 1 -60.82 -108.60
REMARK 500 4 SER A 2 149.98 -179.36
REMARK 500 4 THR A 11 -34.81 -175.82
REMARK 500 4 PRO A 17 -170.80 -69.54
REMARK 500 4 SER A 26 72.05 -104.36
REMARK 500 4 GLN A 61 -177.51 -176.62
REMARK 500 4 SER A 72 -38.44 -169.29
REMARK 500 4 ASP A 80 90.49 -168.22
REMARK 500 4 ARG A 81 -62.09 -148.28
REMARK 500 4 VAL A 82 174.60 -57.07
REMARK 500 5 SER A 0 63.62 -163.08
REMARK 500 5 SER A 2 69.28 -163.65
REMARK 500 5 THR A 11 -37.45 -169.12
REMARK 500 5 ARG A 15 -75.56 -51.31
REMARK 500 5 PRO A 43 -170.46 -69.81
REMARK 500 5 THR A 46 31.76 -97.30
REMARK 500 5 ALA A 48 107.68 -171.75
REMARK 500 5 THR A 51 -172.34 -69.99
REMARK 500 5 ASN A 58 107.18 -48.38
REMARK 500 5 SER A 72 25.48 -141.55
REMARK 500
REMARK 500 THIS ENTRY HAS 96 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1WXS A 1 85 UNP P61960 UFM1_HUMAN 1 85
SEQADV 1WXS GLY A -4 UNP P61960 CLONING ARTIFACT
SEQADV 1WXS PRO A -3 UNP P61960 CLONING ARTIFACT
SEQADV 1WXS LEU A -2 UNP P61960 CLONING ARTIFACT
SEQADV 1WXS GLY A -1 UNP P61960 CLONING ARTIFACT
SEQADV 1WXS SER A 0 UNP P61960 CLONING ARTIFACT
SEQRES 1 A 90 GLY PRO LEU GLY SER MET SER LYS VAL SER PHE LYS ILE
SEQRES 2 A 90 THR LEU THR SER ASP PRO ARG LEU PRO TYR LYS VAL LEU
SEQRES 3 A 90 SER VAL PRO GLU SER THR PRO PHE THR ALA VAL LEU LYS
SEQRES 4 A 90 PHE ALA ALA GLU GLU PHE LYS VAL PRO ALA ALA THR SER
SEQRES 5 A 90 ALA ILE ILE THR ASN ASP GLY ILE GLY ILE ASN PRO ALA
SEQRES 6 A 90 GLN THR ALA GLY ASN VAL PHE LEU LYS HIS GLY SER GLU
SEQRES 7 A 90 LEU ARG ILE ILE PRO ARG ASP ARG VAL GLY SER CYS
HELIX 1 1 PRO A 28 PHE A 40 1 13
HELIX 2 2 THR A 62 HIS A 70 1 9
SHEET 1 A 4 VAL A 20 VAL A 23 0
SHEET 2 A 4 VAL A 4 THR A 9 -1 N PHE A 6 O LEU A 21
SHEET 3 A 4 GLU A 73 PRO A 78 1 O LEU A 74 N THR A 9
SHEET 4 A 4 SER A 47 THR A 51 -1 N ILE A 50 O ARG A 75
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