Header list of 1x0h.pdb file
Complete list - r 2 2 Bytes
HEADER SIGNALING PROTEIN 23-MAR-05 1X0H TITLE SOLUTION STRUCTURE OF THE CARBOXYL-TERMINAL RGC DOMAIN IN HUMAN IQGAP1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: RAS GTPASE-ACTIVATING-LIKE PROTEIN IQGAP1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RGC DOMAIN; COMPND 5 SYNONYM: P195; 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: KAZUSA CDNA HA00940; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040816-19; SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS CELL ADHESION, BETA-SANDWICH, PROTEIN-PROTEIN INTERACTION, STRUCTURAL KEYWDS 2 GENOMICS, NPPSFA, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, KEYWDS 3 RSGI, NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL KEYWDS 4 ANALYSES, SIGNALING PROTEIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR K.SAITO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1X0H 1 REMARK SEQADV REVDAT 2 24-FEB-09 1X0H 1 VERSN REVDAT 1 23-SEP-05 1X0H 0 JRNL AUTH K.SAITO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF THE CARBOXYL-TERMINAL RGC DOMAIN IN JRNL TITL 2 HUMAN IQGAP1 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, CNS 1.1 REMARK 3 AUTHORS : BRUKER (XWINNMR), REMARK 3 BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI, REMARK 3 NILGES, PANNU,READ,RICE,SIMONSON,WARREN (CNS) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1X0H COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 24-MAR-05. REMARK 100 THE DEPOSITION ID IS D_1000024224. 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 : 220 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM PROTEIN, 20MM SODIUM REMARK 210 PHOSPHATE BUFFER, PH6.0, 200MM REMARK 210 NACL, 1MM D-DTT, 50MM L-ARGININE, REMARK 210 50MM L-GLUTAMIC ACID 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, CNS REMARK 210 1.1 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY 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 SER A 2 -62.00 -106.57 REMARK 500 1 SER A 3 84.99 -64.90 REMARK 500 1 ILE A 8 143.14 63.69 REMARK 500 1 ASP A 28 -44.92 -179.34 REMARK 500 1 ASN A 36 34.92 -98.65 REMARK 500 1 PHE A 56 -56.52 -156.98 REMARK 500 1 VAL A 79 99.12 -55.82 REMARK 500 1 ARG A 87 -75.33 -148.07 REMARK 500 1 LYS A 102 -78.05 -72.17 REMARK 500 1 TYR A 104 97.52 -56.40 REMARK 500 1 SER A 107 31.20 -143.92 REMARK 500 1 SER A 110 -61.88 -103.92 REMARK 500 2 SER A 6 -72.08 -78.26 REMARK 500 2 SER A 9 137.65 -176.81 REMARK 500 2 LEU A 24 -68.44 -100.44 REMARK 500 2 GLU A 27 48.29 -93.57 REMARK 500 2 ASP A 28 -42.32 179.48 REMARK 500 2 PHE A 56 -51.82 -176.37 REMARK 500 2 VAL A 79 108.27 -58.19 REMARK 500 2 ARG A 87 -75.83 -145.79 REMARK 500 2 LYS A 102 -76.06 -71.44 REMARK 500 2 TYR A 104 98.20 -59.98 REMARK 500 3 SER A 2 -176.37 -68.30 REMARK 500 3 SER A 5 -71.85 -128.01 REMARK 500 3 SER A 6 83.31 60.35 REMARK 500 3 LEU A 24 -66.75 -106.20 REMARK 500 3 ASP A 28 -55.85 -176.98 REMARK 500 3 ASN A 36 33.84 -98.27 REMARK 500 3 PHE A 56 -55.81 -154.17 REMARK 500 3 MET A 57 -49.64 -138.83 REMARK 500 3 MET A 61 31.71 -98.48 REMARK 500 3 ARG A 87 -70.36 -154.33 REMARK 500 3 LYS A 102 -78.98 -78.54 REMARK 500 3 SER A 110 161.86 59.63 REMARK 500 3 SER A 111 98.68 -163.79 REMARK 500 4 SER A 2 36.21 -161.21 REMARK 500 4 ASP A 28 -58.42 -177.90 REMARK 500 4 ASN A 36 39.45 -97.83 REMARK 500 4 PRO A 43 -168.31 -75.53 REMARK 500 4 PHE A 56 -46.38 -155.55 REMARK 500 4 MET A 57 -57.59 -153.91 REMARK 500 4 GLU A 62 172.44 60.36 REMARK 500 4 ARG A 87 -55.43 -156.75 REMARK 500 4 LYS A 102 -75.84 -73.88 REMARK 500 4 LYS A 106 -77.67 64.55 REMARK 500 4 PRO A 109 -169.53 -69.72 REMARK 500 5 SER A 9 157.56 60.79 REMARK 500 5 LEU A 24 -72.51 -98.66 REMARK 500 5 ASP A 28 -40.92 -179.10 REMARK 500 5 ARG A 87 -65.11 -155.46 REMARK 500 REMARK 500 THIS ENTRY HAS 200 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: HSK002100048.1 RELATED DB: TARGETDB DBREF 1X0H A 8 106 UNP P46940 IQGA1_HUMAN 1559 1657 SEQADV 1X0H GLY A 1 UNP P46940 CLONING ARTIFACT SEQADV 1X0H SER A 2 UNP P46940 CLONING ARTIFACT SEQADV 1X0H SER A 3 UNP P46940 CLONING ARTIFACT SEQADV 1X0H GLY A 4 UNP P46940 CLONING ARTIFACT SEQADV 1X0H SER A 5 UNP P46940 CLONING ARTIFACT SEQADV 1X0H SER A 6 UNP P46940 CLONING ARTIFACT SEQADV 1X0H GLY A 7 UNP P46940 CLONING ARTIFACT SEQADV 1X0H SER A 107 UNP P46940 CLONING ARTIFACT SEQADV 1X0H GLY A 108 UNP P46940 CLONING ARTIFACT SEQADV 1X0H PRO A 109 UNP P46940 CLONING ARTIFACT SEQADV 1X0H SER A 110 UNP P46940 CLONING ARTIFACT SEQADV 1X0H SER A 111 UNP P46940 CLONING ARTIFACT SEQADV 1X0H GLY A 112 UNP P46940 CLONING ARTIFACT SEQRES 1 A 112 GLY SER SER GLY SER SER GLY ILE SER LEU LYS TYR THR SEQRES 2 A 112 ALA ALA ARG LEU HIS GLU LYS GLY VAL LEU LEU GLU ILE SEQRES 3 A 112 GLU ASP LEU GLN VAL ASN GLN PHE LYS ASN VAL ILE PHE SEQRES 4 A 112 GLU ILE SER PRO THR GLU GLU VAL GLY ASP PHE GLU VAL SEQRES 5 A 112 LYS ALA LYS PHE MET GLY VAL GLN MET GLU THR PHE MET SEQRES 6 A 112 LEU HIS TYR GLN ASP LEU LEU GLN LEU GLN TYR GLU GLY SEQRES 7 A 112 VAL ALA VAL MET LYS LEU PHE ASP ARG ALA LYS VAL ASN SEQRES 8 A 112 VAL ASN LEU LEU ILE PHE LEU LEU ASN LYS LYS PHE TYR SEQRES 9 A 112 GLY LYS SER GLY PRO SER SER GLY HELIX 1 1 ALA A 14 GLY A 21 1 8 HELIX 2 2 VAL A 31 ASN A 36 5 6 HELIX 3 3 HIS A 67 GLY A 78 1 12 HELIX 4 4 VAL A 92 LYS A 102 1 11 SHEET 1 A 4 LEU A 10 THR A 13 0 SHEET 2 A 4 ILE A 38 SER A 42 -1 O PHE A 39 N TYR A 12 SHEET 3 A 4 PHE A 50 LYS A 55 -1 O LYS A 53 N GLU A 40 SHEET 4 A 4 PHE A 64 LEU A 66 -1 O PHE A 64 N VAL A 52 SHEET 1 B 3 LEU A 23 ILE A 26 0 SHEET 2 B 3 ALA A 88 ASN A 91 -1 O LYS A 89 N GLU A 25 SHEET 3 B 3 VAL A 81 LEU A 84 -1 N LEU A 84 O ALA A 88 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