Header list of 1wf9.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-MAY-04 1WF9 TITLE SOLUTION STRUCTURE OF A NOVEL BETA-GRASP FOLD LIKE DOMAIN OF TITLE 2 HYPOTHETICAL PROTEIN (ARABIDOPSIS THALIANA) COMPND MOL_ID: 1; COMPND 2 MOLECULE: NPL4 FAMILY PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: HYPOTHETICAL DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; SOURCE 3 ORGANISM_COMMON: THALE CRESS; SOURCE 4 ORGANISM_TAXID: 3702; SOURCE 5 GENE: RIKEN RAFL09-18-B15; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P030212-84; SOURCE 8 OTHER_DETAILS: CELL FREE PROTEIN SYNTHESIS KEYWDS BETA-GRASP FOLD LIKE DOMAIN, ARABIDOPSIS THALIANA, HYPOTHETICAL KEYWDS 2 PROTEIN, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN KEYWDS 3 STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL KEYWDS 4 GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR X.QIN,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS AUTHOR 2 INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1WF9 1 REMARK SEQADV REVDAT 2 24-FEB-09 1WF9 1 VERSN REVDAT 1 07-JUN-05 1WF9 0 JRNL AUTH X.QIN,F.HAYASHI,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF A NOVEL BETA-GRASP FOLD LIKE DOMAIN OF JRNL TITL 2 HYPOTHETICAL PROTEIN (ARABIDOPSIS THALIANA) JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : VNMR 6.1C, CYANA 1.0.7 REMARK 3 AUTHORS : VARIAN (VNMR), GUENTERT, P. (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1WF9 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 01-JUN-04. REMARK 100 THE DEPOSITION ID IS D_1000023515. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.0 REMARK 210 IONIC STRENGTH : 120MM REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.07MM 13C, 15N-LABELED PROTEIN; REMARK 210 20MM PINA (PH6.0); 100MM NACL; REMARK 210 1MM D-DTT; 0.02% NAN3 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 : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 20020425, NMRVIEW 5.0.4, REMARK 210 KUJIRA 0.854, 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, STRUCTURES REMARK 210 WITH THE LOWEST ENERGY, 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 O LYS A 34 HE22 GLN A 48 1.54 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 40 -60.79 -103.20 REMARK 500 1 THR A 52 31.42 -90.71 REMARK 500 1 ASN A 82 75.05 68.47 REMARK 500 1 HIS A 85 84.58 -60.70 REMARK 500 1 SER A 87 163.28 -41.59 REMARK 500 1 THR A 98 -165.34 -122.92 REMARK 500 2 SER A 2 80.21 44.37 REMARK 500 2 VAL A 23 -166.01 -124.61 REMARK 500 2 ASP A 24 -65.35 -103.66 REMARK 500 2 LEU A 33 -73.54 -65.78 REMARK 500 2 HIS A 46 -29.47 -39.68 REMARK 500 2 THR A 52 35.48 -89.70 REMARK 500 2 THR A 69 59.31 -115.67 REMARK 500 2 ASN A 82 61.61 71.75 REMARK 500 2 SER A 87 173.11 -57.48 REMARK 500 2 SER A 102 -68.44 -100.49 REMARK 500 2 SER A 105 87.09 -163.50 REMARK 500 3 SER A 3 92.51 -173.68 REMARK 500 3 SER A 6 -57.45 -150.68 REMARK 500 3 ASP A 16 37.58 -140.51 REMARK 500 3 VAL A 23 -165.42 -122.56 REMARK 500 3 LEU A 36 -70.57 -57.48 REMARK 500 3 ASN A 82 70.16 66.21 REMARK 500 3 SER A 87 175.11 -48.29 REMARK 500 3 ARG A 100 158.85 -41.39 REMARK 500 3 SER A 102 165.78 71.00 REMARK 500 4 SER A 2 93.70 48.22 REMARK 500 4 VAL A 23 -166.49 -126.13 REMARK 500 4 ASN A 82 43.43 80.08 REMARK 500 4 HIS A 85 92.29 -58.36 REMARK 500 4 SER A 87 171.76 -52.31 REMARK 500 4 GLU A 96 -173.00 -69.05 REMARK 500 5 SER A 3 78.45 -100.74 REMARK 500 5 VAL A 23 -164.91 -127.45 REMARK 500 5 ASP A 24 -62.93 -105.98 REMARK 500 5 THR A 52 33.83 -94.12 REMARK 500 5 ASN A 82 48.10 76.04 REMARK 500 5 HIS A 85 107.93 -51.35 REMARK 500 5 SER A 87 167.84 -45.16 REMARK 500 5 GLU A 96 -176.90 -55.58 REMARK 500 5 THR A 98 -166.24 -74.04 REMARK 500 6 ASP A 16 27.90 -154.19 REMARK 500 6 VAL A 23 -164.87 -122.57 REMARK 500 6 ASP A 39 -61.27 -93.19 REMARK 500 6 ASN A 82 71.40 63.85 REMARK 500 6 HIS A 85 94.88 -52.82 REMARK 500 7 VAL A 23 -168.49 -119.46 REMARK 500 7 LEU A 36 -70.66 -45.43 REMARK 500 7 HIS A 46 -29.86 -39.79 REMARK 500 7 THR A 52 34.74 -91.38 REMARK 500 REMARK 500 THIS ENTRY HAS 167 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: ATR001004807 RELATED DB: TARGETDB DBREF 1WF9 A 8 101 UNP Q9LYC2 Q9LYC2_ARATH 2 95 SEQADV 1WF9 GLY A 1 UNP Q9LYC2 CLONING ARTIFACT SEQADV 1WF9 SER A 2 UNP Q9LYC2 CLONING ARTIFACT SEQADV 1WF9 SER A 3 UNP Q9LYC2 CLONING ARTIFACT SEQADV 1WF9 GLY A 4 UNP Q9LYC2 CLONING ARTIFACT SEQADV 1WF9 SER A 5 UNP Q9LYC2 CLONING ARTIFACT SEQADV 1WF9 SER A 6 UNP Q9LYC2 CLONING ARTIFACT SEQADV 1WF9 GLY A 7 UNP Q9LYC2 CLONING ARTIFACT SEQADV 1WF9 SER A 102 UNP Q9LYC2 CLONING ARTIFACT SEQADV 1WF9 GLY A 103 UNP Q9LYC2 CLONING ARTIFACT SEQADV 1WF9 PRO A 104 UNP Q9LYC2 CLONING ARTIFACT SEQADV 1WF9 SER A 105 UNP Q9LYC2 CLONING ARTIFACT SEQADV 1WF9 SER A 106 UNP Q9LYC2 CLONING ARTIFACT SEQADV 1WF9 GLY A 107 UNP Q9LYC2 CLONING ARTIFACT SEQRES 1 A 107 GLY SER SER GLY SER SER GLY THR MET LEU ARG VAL ARG SEQRES 2 A 107 SER ARG ASP GLY LEU GLU ARG VAL SER VAL ASP GLY PRO SEQRES 3 A 107 HIS ILE THR VAL SER GLN LEU LYS THR LEU ILE GLN ASP SEQRES 4 A 107 GLN LEU GLN ILE PRO ILE HIS ASN GLN THR LEU SER THR SEQRES 5 A 107 ASN ARG ASN LEU LEU LEU ALA LYS SER PRO SER ASP PHE SEQRES 6 A 107 LEU ALA PHE THR ASP MET ALA ASP PRO ASN LEU ARG ILE SEQRES 7 A 107 SER SER LEU ASN LEU ALA HIS GLY SER MET VAL TYR LEU SEQRES 8 A 107 ALA TYR GLU GLY GLU ARG THR ILE ARG GLY SER GLY PRO SEQRES 9 A 107 SER SER GLY HELIX 1 1 THR A 29 LEU A 41 1 13 HELIX 2 2 ASN A 53 LEU A 58 5 6 HELIX 3 3 SER A 61 LEU A 66 1 6 HELIX 4 4 ARG A 77 LEU A 81 5 5 SHEET 1 A 3 LEU A 18 VAL A 23 0 SHEET 2 A 3 THR A 8 ARG A 13 -1 N THR A 8 O VAL A 23 SHEET 3 A 3 MET A 88 TYR A 90 1 O VAL A 89 N ARG A 11 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