Header list of 1wgs.pdb file
Complete list - r 25 2 Bytes
HEADER TRANSFERASE 28-MAY-04 1WGS TITLE SOLUTION STRUCTURE OF THE TUDOR DOMAIN FROM MOUSE HYPOTHETICAL PROTEIN TITLE 2 HOMOLOGOUS TO HISTONE ACETYLTRANSFERASE COMPND MOL_ID: 1; COMPND 2 MOLECULE: MYST HISTONE ACETYLTRANSFERASE 1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: TUDOR DOMAIN; COMPND 5 SYNONYM: HYPOTHETICAL PROTEIN 5830450F21RIK; COMPND 6 EC: 2.3.1.48; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 GENE: RIKEN CDNA 5830450F21; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P031110-09; SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS TUDOR DOMAIN, MYST FAMILY, HISTONE ACETYLTRANSFERASE, STRUCTURAL KEYWDS 2 GENOMICS, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, KEYWDS 3 TRANSFERASE EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR H.LI,K.SAITO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 16-FEB-11 1WGS 1 KEYWDS REVDAT 2 24-FEB-09 1WGS 1 VERSN REVDAT 1 28-NOV-04 1WGS 0 JRNL AUTH H.LI,K.SAITO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF THE TUDOR DOMAIN FROM MOUSE JRNL TITL 2 HYPOTHETICAL PROTEIN HOMOLOGOUS TO HISTONE ACETYLTRANSFERASE JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CYANA 1.0.7 REMARK 3 AUTHORS : GUENTERT, P. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1WGS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 03-JUN-04. REMARK 100 THE RCSB ID CODE IS RCSB023563. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 120MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.06 MM TUDOR DOMAIN U-13C, 15N; REMARK 210 20 MM D-TRIS-HCL (PH7.0); 100 MM REMARK 210 NACL; 1 MM D-DTT; 0.02% NAN3; 10% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N- 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 : XWINNMR 2.6, NMRPIPE 20020425, REMARK 210 NMRVIEW 5.0.4, KUJIRA 0.897, REMARK 210 CYANA 1.0.7 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 : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS, TARGET REMARK 210 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 ASN A 39 O ARG A 44 1.61 REMARK 500 H ILE A 34 O TYR A 48 1.66 REMARK 500 O GLU A 32 H HIS A 50 1.72 REMARK 500 O ARG A 23 H ASP A 25 1.79 REMARK 500 O GLU A 17 H VAL A 33 1.84 REMARK 500 O ARG A 37 H GLU A 46 1.85 REMARK 500 H CYS A 21 O HIS A 29 1.86 REMARK 500 H ARG A 22 O ARG A 66 1.87 REMARK 500 O CYS A 21 H HIS A 29 1.87 REMARK 500 H ARG A 37 O GLU A 46 1.89 REMARK 500 O TYR A 51 H GLY A 53 1.89 REMARK 500 H GLY A 16 O VAL A 33 1.90 REMARK 500 O LYS A 64 H LEU A 67 1.93 REMARK 500 H GLU A 14 OH TYR A 19 1.93 REMARK 500 H TYR A 19 O ALA A 31 1.95 REMARK 500 H GLU A 32 O HIS A 50 2.01 REMARK 500 O PHE A 47 H VAL A 62 2.03 REMARK 500 O TYR A 19 H ALA A 31 2.09 REMARK 500 H ARG A 23 O THR A 27 2.13 REMARK 500 H PHE A 47 O VAL A 62 2.14 REMARK 500 O GLU A 32 HA VAL A 49 2.16 REMARK 500 O THR A 70 H VAL A 73 2.16 REMARK 500 O ASN A 39 H GLY A 43 2.17 REMARK 500 HA ALA A 31 O HIS A 50 2.19 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 SER A 2 104.19 60.16 REMARK 500 1 SER A 3 -59.15 -135.18 REMARK 500 1 ASP A 25 28.61 -161.98 REMARK 500 1 PHE A 54 -73.98 -165.83 REMARK 500 1 ARG A 57 31.22 -91.07 REMARK 500 1 LEU A 58 -105.58 -113.57 REMARK 500 1 ASP A 59 92.87 45.96 REMARK 500 1 THR A 70 159.30 69.94 REMARK 500 1 LYS A 74 177.38 175.41 REMARK 500 1 ALA A 76 127.09 -176.00 REMARK 500 1 VAL A 77 40.85 -92.20 REMARK 500 1 LYS A 79 -73.82 -91.40 REMARK 500 1 ASN A 80 106.84 64.23 REMARK 500 1 LEU A 85 123.61 -37.86 REMARK 500 1 ALA A 89 -176.83 -172.09 REMARK 500 1 GLU A 93 108.92 -162.82 REMARK 500 1 LYS A 95 75.98 -172.84 REMARK 500 1 ARG A 98 159.81 178.52 REMARK 500 1 ASN A 99 150.83 174.46 REMARK 500 1 ARG A 102 146.12 -177.93 REMARK 500 1 PRO A 119 -71.74 -74.98 REMARK 500 1 LEU A 124 -110.80 -108.93 REMARK 500 1 GLU A 125 118.15 175.62 REMARK 500 1 SER A 131 -57.99 -131.16 REMARK 500 1 SER A 132 162.63 -43.82 REMARK 500 2 SER A 2 98.36 -63.54 REMARK 500 2 SER A 5 136.39 62.39 REMARK 500 2 SER A 26 -38.92 -176.39 REMARK 500 2 THR A 27 -147.62 -155.67 REMARK 500 2 THR A 70 174.09 68.17 REMARK 500 2 THR A 72 -72.57 -125.93 REMARK 500 2 LYS A 74 98.44 -60.15 REMARK 500 2 ASP A 75 156.05 -41.90 REMARK 500 2 ALA A 76 127.06 64.02 REMARK 500 2 VAL A 77 43.40 -89.71 REMARK 500 2 GLN A 78 156.52 67.09 REMARK 500 2 ASN A 80 114.15 176.87 REMARK 500 2 LYS A 83 107.84 -177.15 REMARK 500 2 LEU A 85 127.92 -37.00 REMARK 500 2 VAL A 110 -162.24 -117.46 REMARK 500 2 LEU A 124 -109.91 -117.19 REMARK 500 2 GLU A 125 140.80 -177.73 REMARK 500 2 GLU A 127 138.43 -170.19 REMARK 500 2 SER A 128 129.62 -178.06 REMARK 500 2 SER A 132 147.38 66.51 REMARK 500 3 SER A 2 -58.81 -145.68 REMARK 500 3 SER A 26 -40.92 -172.73 REMARK 500 3 ALA A 31 119.66 -167.88 REMARK 500 3 PHE A 54 -57.10 -134.17 REMARK 500 3 ASN A 55 142.85 170.45 REMARK 500 REMARK 500 THIS ENTRY HAS 496 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: MMT007114348.1 RELATED DB: TARGETDB DBREF 1WGS A 8 127 UNP Q9D1P2 MYST1_MOUSE 50 169 SEQADV 1WGS GLY A 1 UNP Q9D1P2 EXPRESSION TAG SEQADV 1WGS SER A 2 UNP Q9D1P2 EXPRESSION TAG SEQADV 1WGS SER A 3 UNP Q9D1P2 EXPRESSION TAG SEQADV 1WGS GLY A 4 UNP Q9D1P2 EXPRESSION TAG SEQADV 1WGS SER A 5 UNP Q9D1P2 EXPRESSION TAG SEQADV 1WGS SER A 6 UNP Q9D1P2 EXPRESSION TAG SEQADV 1WGS GLY A 7 UNP Q9D1P2 EXPRESSION TAG SEQADV 1WGS SER A 128 UNP Q9D1P2 EXPRESSION TAG SEQADV 1WGS GLY A 129 UNP Q9D1P2 EXPRESSION TAG SEQADV 1WGS PRO A 130 UNP Q9D1P2 EXPRESSION TAG SEQADV 1WGS SER A 131 UNP Q9D1P2 EXPRESSION TAG SEQADV 1WGS SER A 132 UNP Q9D1P2 EXPRESSION TAG SEQADV 1WGS GLY A 133 UNP Q9D1P2 EXPRESSION TAG SEQRES 1 A 133 GLY SER SER GLY SER SER GLY GLU PRO GLU VAL THR VAL SEQRES 2 A 133 GLU ILE GLY GLU THR TYR LEU CYS ARG ARG PRO ASP SER SEQRES 3 A 133 THR TRP HIS SER ALA GLU VAL ILE GLN SER ARG VAL ASN SEQRES 4 A 133 ASP GLN GLU GLY ARG GLU GLU PHE TYR VAL HIS TYR VAL SEQRES 5 A 133 GLY PHE ASN ARG ARG LEU ASP GLU TRP VAL ASP LYS ASN SEQRES 6 A 133 ARG LEU ALA LEU THR LYS THR VAL LYS ASP ALA VAL GLN SEQRES 7 A 133 LYS ASN SER GLU LYS TYR LEU SER GLU LEU ALA GLU GLN SEQRES 8 A 133 PRO GLU ARG LYS ILE THR ARG ASN GLN LYS ARG LYS HIS SEQRES 9 A 133 ASP GLU ILE ASN HIS VAL GLN LYS THR TYR ALA GLU MET SEQRES 10 A 133 ASP PRO THR THR ALA ALA LEU GLU LYS GLU SER GLY PRO SEQRES 11 A 133 SER SER GLY SHEET 1 A 5 THR A 18 ARG A 23 0 SHEET 2 A 5 THR A 27 ASN A 39 -1 O HIS A 29 N CYS A 21 SHEET 3 A 5 ARG A 44 HIS A 50 -1 O ARG A 44 N ASN A 39 SHEET 4 A 5 GLU A 60 VAL A 62 -1 O VAL A 62 N PHE A 47 SHEET 5 A 5 LEU A 67 ALA A 68 -1 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 25 2 Bytes