Header list of 2gow.pdb file
Complete list - r 9 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-APR-06 2GOW
TITLE SOLUTION STRUCTURE OF BC059385 FROM HOMO SAPIENS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: UBIQUITIN-LIKE PROTEIN 3;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: HCG-1 PROTEIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: UBL3;
SOURCE 6 EXPRESSION_SYSTEM: CELL-FREE SYNTHESIS;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PEU-HIS;
SOURCE 9 OTHER_DETAILS: WHEAT GERM CELL-FREE, IN VITRO EXPRESSION
KEYWDS BC059385, STRUCTURAL GENOMICS, PROTEIN STRUCTURE INITIATIVE, PSI,
KEYWDS 2 CENTER FOR EUKARYOTIC STRUCTURAL GENOMICS, CESG, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR B.F.VOLKMAN,N.B.DE LA CRUZ,B.L.LYTLE,F.C.PETERSON,CENTER FOR
AUTHOR 2 EUKARYOTIC STRUCTURAL GENOMICS (CESG)
REVDAT 5 09-MAR-22 2GOW 1 REMARK SEQADV
REVDAT 4 29-SEP-09 2GOW 1 JRNL
REVDAT 3 24-FEB-09 2GOW 1 VERSN
REVDAT 2 29-APR-08 2GOW 1 SOURCE
REVDAT 1 25-APR-06 2GOW 0
JRNL AUTH N.B.DE LA CRUZ,F.C.PETERSON,B.L.LYTLE,B.F.VOLKMAN
JRNL TITL SOLUTION STRUCTURE OF A MEMBRANE-ANCHORED UBIQUITIN-FOLD
JRNL TITL 2 (MUB) PROTEIN FROM HOMO SAPIENS.
JRNL REF PROTEIN SCI. V. 16 1479 2007
JRNL REFN ISSN 0961-8368
JRNL PMID 17567738
JRNL DOI 10.1110/PS.072834007
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.5, XPLOR-NIH 2.9.3
REMARK 3 AUTHORS : BRUKER (XWINNMR), SCHWIETERS, C.D., KUSZEWSKI,
REMARK 3 J.J., TJANDRA, N., CLORE, G.M. (XPLOR-NIH)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS:
REMARK 3 STRUCTURES ARE BASED ON A TOTAL OF 1144 NOE CONSTRAINTS ( 294
REMARK 3 INTRA, 141 SEQUENTIAL, 216 MEDIUM AND 493 LONG RANGE CONSTRAINTS)
REMARK 3 AND 115 PHI AND PSI DIHEDRAL ANGLE CONSTRAINTS.
REMARK 4
REMARK 4 2GOW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-APR-06.
REMARK 100 THE DEPOSITION ID IS D_1000037378.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 5.0
REMARK 210 IONIC STRENGTH : 106 MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.5 MM BC059385 U-15N/13C, 10 MM
REMARK 210 DEUTERATED SODIUM ACETATE, 100
REMARK 210 MM NACL, 2 MM DITHIOTHREITOL, 90%
REMARK 210 H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY; 3D_13C-
REMARK 210 SEPARATED_NOESY (AROMATIC)
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 2004, XEASY 1.3, SPSCAN
REMARK 210 1.1.0, GARANT 2.1, CYANA 2.1
REMARK 210 METHOD USED : AUTOMATED METHODS WERE USED FOR
REMARK 210 BACKBONE CHEMICAL SHIFT
REMARK 210 ASSIGNMENT AND ITERATIVE NOE
REMARK 210 REFINEMENT. FINAL STRUCTURES
REMARK 210 WERE OBTAINED BY MOLECULAR
REMARK 210 DYNAMICS IN EXPLICIT SOLVENT
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: REMARK 210 REMARK: ALL TRIPLE-RESONANCE AND NOESY SPECTRA
REMARK 210 WERE ACQUIRED USING A CRYOGENIC PROBE.
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 1-20
REMARK 465 RES C SSSEQI
REMARK 465 GLY A -7
REMARK 465 HIS A -6
REMARK 465 HIS A -5
REMARK 465 HIS A -4
REMARK 465 HIS A -3
REMARK 465 HIS A -2
REMARK 465 HIS A -1
REMARK 465 LEU A 0
REMARK 465 GLU A 1
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 HZ3 LYS A 37 OE2 GLU A 96 1.56
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 ASN A 4 108.83 68.27
REMARK 500 1 ASP A 41 -86.88 -167.26
REMARK 500 1 MET A 45 -60.07 -95.45
REMARK 500 1 ASP A 46 75.59 -154.44
REMARK 500 1 TRP A 47 86.94 57.39
REMARK 500 1 SER A 53 114.23 81.07
REMARK 500 1 TYR A 62 50.27 -100.91
REMARK 500 1 GLN A 63 93.50 60.69
REMARK 500 1 HIS A 68 -175.62 -173.82
REMARK 500 1 ASN A 70 28.08 -167.64
REMARK 500 1 LYS A 77 79.55 71.28
REMARK 500 1 GLU A 96 109.43 66.74
REMARK 500 1 ASN A 98 15.71 -147.08
REMARK 500 1 SER A 111 100.10 67.00
REMARK 500 1 ILE A 116 80.21 -165.73
REMARK 500 2 SER A 3 16.05 -149.18
REMARK 500 2 ASP A 41 106.18 -177.41
REMARK 500 2 ASN A 42 -116.22 65.09
REMARK 500 2 GLU A 49 103.24 -161.19
REMARK 500 2 VAL A 52 -39.39 78.11
REMARK 500 2 SER A 53 97.86 66.16
REMARK 500 2 TYR A 62 75.59 -101.30
REMARK 500 2 GLN A 63 85.68 36.78
REMARK 500 2 ASN A 70 28.16 -175.72
REMARK 500 2 ASN A 98 76.90 -168.05
REMARK 500 2 SER A 99 28.04 45.87
REMARK 500 2 THR A 108 -23.53 -158.61
REMARK 500 3 ASN A 4 115.53 69.43
REMARK 500 3 ASP A 8 -28.18 -169.11
REMARK 500 3 ASP A 41 -74.59 -177.15
REMARK 500 3 PRO A 44 96.40 -58.56
REMARK 500 3 ASP A 46 -165.50 -169.66
REMARK 500 3 TRP A 47 -84.98 -108.99
REMARK 500 3 GLU A 49 -60.07 -154.09
REMARK 500 3 GLN A 51 94.14 66.87
REMARK 500 3 TYR A 62 60.87 -101.32
REMARK 500 3 ASN A 70 39.12 -160.22
REMARK 500 3 GLU A 106 101.18 70.53
REMARK 500 3 LYS A 107 -59.11 72.22
REMARK 500 4 ASP A 8 -28.41 -170.65
REMARK 500 4 ASP A 41 -74.06 -135.25
REMARK 500 4 MET A 45 -75.25 -126.41
REMARK 500 4 ASP A 46 89.09 177.13
REMARK 500 4 GLU A 49 -91.50 56.65
REMARK 500 4 GLN A 51 -52.93 -169.50
REMARK 500 4 SER A 53 110.71 65.90
REMARK 500 4 GLN A 63 -64.94 69.55
REMARK 500 4 ASN A 70 80.36 177.88
REMARK 500 4 ASN A 98 79.97 178.54
REMARK 500 4 SER A 99 -36.06 64.21
REMARK 500
REMARK 500 THIS ENTRY HAS 302 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: GO.35156 RELATED DB: TARGETDB
DBREF 2GOW A 2 117 UNP O95164 UBL3_HUMAN 2 117
SEQADV 2GOW GLY A -7 UNP O95164 CLONING ARTIFACT
SEQADV 2GOW HIS A -6 UNP O95164 EXPRESSION TAG
SEQADV 2GOW HIS A -5 UNP O95164 EXPRESSION TAG
SEQADV 2GOW HIS A -4 UNP O95164 EXPRESSION TAG
SEQADV 2GOW HIS A -3 UNP O95164 EXPRESSION TAG
SEQADV 2GOW HIS A -2 UNP O95164 EXPRESSION TAG
SEQADV 2GOW HIS A -1 UNP O95164 EXPRESSION TAG
SEQADV 2GOW LEU A 0 UNP O95164 CLONING ARTIFACT
SEQADV 2GOW GLU A 1 UNP O95164 CLONING ARTIFACT
SEQRES 1 A 125 GLY HIS HIS HIS HIS HIS HIS LEU GLU SER SER ASN VAL
SEQRES 2 A 125 PRO ALA ASP MET ILE ASN LEU ARG LEU ILE LEU VAL SER
SEQRES 3 A 125 GLY LYS THR LYS GLU PHE LEU PHE SER PRO ASN ASP SER
SEQRES 4 A 125 ALA SER ASP ILE ALA LYS HIS VAL TYR ASP ASN TRP PRO
SEQRES 5 A 125 MET ASP TRP GLU GLU GLU GLN VAL SER SER PRO ASN ILE
SEQRES 6 A 125 LEU ARG LEU ILE TYR GLN GLY ARG PHE LEU HIS GLY ASN
SEQRES 7 A 125 VAL THR LEU GLY ALA LEU LYS LEU PRO PHE GLY LYS THR
SEQRES 8 A 125 THR VAL MET HIS LEU VAL ALA ARG GLU THR LEU PRO GLU
SEQRES 9 A 125 PRO ASN SER GLN GLY GLN ARG ASN ARG GLU LYS THR GLY
SEQRES 10 A 125 GLU SER ASN CYS CYS VAL ILE LEU
HELIX 1 1 SER A 31 ASP A 41 1 11
HELIX 2 2 SER A 54 ASN A 56 5 3
HELIX 3 3 LEU A 73 LYS A 77 5 5
SHEET 1 A 4 THR A 21 PHE A 26 0
SHEET 2 A 4 ILE A 10 ILE A 15 -1 N LEU A 14 O LYS A 22
SHEET 3 A 4 THR A 83 ALA A 90 1 O THR A 84 N ASN A 11
SHEET 4 A 4 LEU A 58 ILE A 61 -1 N ILE A 61 O HIS A 87
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 9 2 Bytes