Header list of 1wz0.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-FEB-05 1WZ0 TITLE SOLUTION STRUCTURE OF HUMAN SUMO-2 (SMT3B), A UBIQUITIN-LIKE PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: UBIQUITIN-LIKE PROTEIN SMT3B; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UBIQUITIN-LIKE MOLECULE; COMPND 5 SYNONYM: SENTRIN 2, HSMT3; COMPND 6 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: SMT3B; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040510-09; SOURCE 8 OTHER_DETAILS: CELL-FREE SYNTHESIS KEYWDS SUMO-2, UBIQUITIN-LIKE MOLECULE, STRUCTURAL GENOMICS, SENTRIN2, KEYWDS 2 NPPFSA, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, KEYWDS 3 UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR C.ZHAO,K.SAITO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1WZ0 1 REMARK SEQADV REVDAT 2 24-FEB-09 1WZ0 1 VERSN REVDAT 1 21-AUG-05 1WZ0 0 JRNL AUTH C.ZHAO,K.SAITO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF HUMAN SUMO-2 (SMT3B), A UBIQUITIN-LIKE JRNL TITL 2 PROTEIN JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XWINNMR 2.6, CYANA 1.0.8 REMARK 3 AUTHORS : BRUKER (XWINNMR), GUENTERT, P. (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1WZ0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 22-FEB-05. REMARK 100 THE DEPOSITION ID IS D_1000024171. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298.0 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 100MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.21MM PROTEIN U-15N, 13C; 20MM REMARK 210 D-TRIS-HCL (PH7.0); 100MM NACL; REMARK 210 1MM D-DTT; 0.02% NAN3; 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 20020425, NMRVIEW 5.0.4, REMARK 210 KUJIRA 0.921, CYANA 1.0.8 REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION, STRUCTURES WITH REMARK 210 THE LEAST RESTRAINT VIOLATIONS 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 PRO A 13 90.57 -69.75 REMARK 500 1 ASN A 22 42.88 -83.63 REMARK 500 1 LEU A 47 -19.44 -48.29 REMARK 500 2 PRO A 13 0.06 -69.81 REMARK 500 2 LYS A 18 60.25 -113.39 REMARK 500 2 THR A 19 46.56 34.54 REMARK 500 2 ASP A 33 49.01 -86.71 REMARK 500 2 HIS A 44 37.98 -98.29 REMARK 500 2 MET A 85 99.60 -61.57 REMARK 500 3 ALA A 9 123.14 -171.21 REMARK 500 3 GLU A 11 49.29 -102.87 REMARK 500 3 LYS A 12 54.03 34.33 REMARK 500 3 PRO A 13 0.40 -69.79 REMARK 500 3 ASP A 33 31.51 -83.69 REMARK 500 3 HIS A 44 41.23 -95.43 REMARK 500 3 MET A 85 99.94 -57.42 REMARK 500 3 THR A 98 117.12 -38.02 REMARK 500 4 GLU A 11 59.00 -93.76 REMARK 500 4 PRO A 13 80.52 -69.75 REMARK 500 4 ASN A 22 51.51 -91.10 REMARK 500 4 GLN A 32 176.26 -49.11 REMARK 500 5 PRO A 13 1.89 -69.78 REMARK 500 5 ASP A 33 44.10 72.54 REMARK 500 5 LEU A 47 -19.28 -49.41 REMARK 500 5 MET A 85 119.21 -37.05 REMARK 500 5 ASP A 89 -174.99 -68.24 REMARK 500 5 GLN A 97 125.57 -39.13 REMARK 500 5 SER A 102 118.60 -36.07 REMARK 500 6 GLU A 11 42.29 -91.38 REMARK 500 6 LYS A 12 53.70 36.98 REMARK 500 6 ASP A 23 31.54 73.83 REMARK 500 6 SER A 35 177.48 -58.68 REMARK 500 6 MET A 85 106.74 -51.18 REMARK 500 6 ASP A 89 -175.25 -66.15 REMARK 500 7 ASP A 10 46.54 -83.09 REMARK 500 7 GLU A 86 -71.20 -94.80 REMARK 500 7 GLU A 88 29.51 43.26 REMARK 500 8 ALA A 9 -60.88 -105.35 REMARK 500 8 GLU A 11 39.66 -86.51 REMARK 500 8 GLU A 86 -74.47 -107.17 REMARK 500 8 GLU A 88 27.05 39.70 REMARK 500 8 ASP A 89 -175.03 -62.95 REMARK 500 9 PRO A 13 0.61 -69.77 REMARK 500 9 LYS A 14 46.52 -91.58 REMARK 500 9 THR A 19 -43.65 -132.59 REMARK 500 9 ASN A 21 142.22 -34.52 REMARK 500 9 HIS A 44 37.12 -87.05 REMARK 500 9 SER A 99 134.05 -170.38 REMARK 500 9 PRO A 101 3.80 -69.81 REMARK 500 9 SER A 102 122.38 -33.56 REMARK 500 REMARK 500 THIS ENTRY HAS 117 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 650 REMARK 650 HELIX REMARK 650 DETERMINATION METHOD: AUTHOR DETERMINED REMARK 700 REMARK 700 SHEET REMARK 700 DETERMINATION METHOD: AUTHOR DETERMINED REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: HSS001000424.2 RELATED DB: TARGETDB DBREF 1WZ0 A 8 98 UNP P61956 SUMO2_HUMAN 1 91 SEQADV 1WZ0 GLY A 1 UNP P61956 CLONING ARTIFACT SEQADV 1WZ0 SER A 2 UNP P61956 CLONING ARTIFACT SEQADV 1WZ0 SER A 3 UNP P61956 CLONING ARTIFACT SEQADV 1WZ0 GLY A 4 UNP P61956 CLONING ARTIFACT SEQADV 1WZ0 SER A 5 UNP P61956 CLONING ARTIFACT SEQADV 1WZ0 SER A 6 UNP P61956 CLONING ARTIFACT SEQADV 1WZ0 GLY A 7 UNP P61956 CLONING ARTIFACT SEQADV 1WZ0 SER A 99 UNP P61956 CLONING ARTIFACT SEQADV 1WZ0 GLY A 100 UNP P61956 CLONING ARTIFACT SEQADV 1WZ0 PRO A 101 UNP P61956 CLONING ARTIFACT SEQADV 1WZ0 SER A 102 UNP P61956 CLONING ARTIFACT SEQADV 1WZ0 SER A 103 UNP P61956 CLONING ARTIFACT SEQADV 1WZ0 GLY A 104 UNP P61956 CLONING ARTIFACT SEQRES 1 A 104 GLY SER SER GLY SER SER GLY MET ALA ASP GLU LYS PRO SEQRES 2 A 104 LYS GLU GLY VAL LYS THR GLU ASN ASN ASP HIS ILE ASN SEQRES 3 A 104 LEU LYS VAL ALA GLY GLN ASP GLY SER VAL VAL GLN PHE SEQRES 4 A 104 LYS ILE LYS ARG HIS THR PRO LEU SER LYS LEU MET LYS SEQRES 5 A 104 ALA TYR CYS GLU ARG GLN GLY LEU SER MET ARG GLN ILE SEQRES 6 A 104 ARG PHE ARG PHE ASP GLY GLN PRO ILE ASN GLU THR ASP SEQRES 7 A 104 THR PRO ALA GLN LEU GLU MET GLU ASP GLU ASP THR ILE SEQRES 8 A 104 ASP VAL PHE GLN GLN GLN THR SER GLY PRO SER SER GLY HELIX 1 1 LEU A 47 GLN A 58 1 12 SHEET 1 A 5 VAL A 36 ILE A 41 0 SHEET 2 A 5 ILE A 25 ALA A 30 -1 N VAL A 29 O VAL A 37 SHEET 3 A 5 ASP A 89 VAL A 93 1 O ASP A 89 N LYS A 28 SHEET 4 A 5 PHE A 67 PHE A 69 -1 N ARG A 68 O ASP A 92 SHEET 5 A 5 GLN A 72 PRO A 73 0 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