Header list of 1wfv.pdb file
Complete list - r 2 2 Bytes
HEADER SIGNALING PROTEIN 27-MAY-04 1WFV TITLE SOLUTION STRUCTURE OF THE FIFTH PDZ DOMAIN OF HUMAN MEMBRANE TITLE 2 ASSOCIATED GUANYLATE KINASE INVERTED-2 (KIAA0705 PROTEIN) COMPND MOL_ID: 1; COMPND 2 MOLECULE: MEMBRANE ASSOCIATED GUANYLATE KINASE INVERTED-2; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PDZ DOMAIN; COMPND 5 SYNONYM: KIAA0705 PROTEIN, ATROPHIN-1 INTERACTING PROTEIN 1, MAGI-2; 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 HG03359; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P021030-33; SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS ATROPHIN-1 INTERACTING PROTEIN 1, ACTIVIN RECEPTOR INTERACTING KEYWDS 2 PROTEIN 1, MEMBRANE ASSOCIATED GUANYLATE KINASE INVERTED-2, ACTIVIN KEYWDS 3 TYPE IIA RECEPTOR, AIP1, ARIP1, ACVRIP1, ACTRIIA, MAGI-2, PDZ KEYWDS 4 DOMAIN, STRUCTURAL GENOMICS, RIKEN STRUCTURAL GENOMICS/PROTEOMICS KEYWDS 5 INITIATIVE, RSGI, SIGNALING PROTEIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1WFV 1 REMARK SEQADV REVDAT 2 24-FEB-09 1WFV 1 VERSN REVDAT 1 27-NOV-04 1WFV 0 JRNL AUTH N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF THE FIFTH PDZ DOMAIN OF HUMAN MEMBRANE JRNL TITL 2 ASSOCIATED GUANYLATE KINASE INVERTED-2 (KIAA0705 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 2.0.17 REMARK 3 AUTHORS : BRUKER (XWINNMR), GUENTERT, P. (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1WFV 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_1000023534. 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 : 1.3MM PDZ DOMAIN U-15N, 13C; REMARK 210 20MM PHOSPHATE BUFFER NA; 100MM REMARK 210 NACL; 1MM 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 : NMRPIPE 20031121, NMRVIEW 5.0.4, REMARK 210 KUJIRA 0.8994, CYANA 2.0.17 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: 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 PHE A 10 -177.80 -61.53 REMARK 500 1 SER A 68 120.63 -34.49 REMARK 500 1 ASP A 71 27.85 48.37 REMARK 500 1 HIS A 74 -34.22 -37.20 REMARK 500 2 ASP A 9 159.58 -43.50 REMARK 500 2 PHE A 24 37.52 -82.25 REMARK 500 2 ARG A 54 -29.20 -36.84 REMARK 500 2 THR A 69 -9.67 -59.08 REMARK 500 2 SER A 98 148.72 -174.65 REMARK 500 3 SER A 3 41.96 -95.77 REMARK 500 3 PHE A 10 43.67 -78.88 REMARK 500 3 ASP A 11 54.67 73.79 REMARK 500 3 TYR A 12 89.64 -47.93 REMARK 500 3 ARG A 54 -32.01 -37.61 REMARK 500 3 THR A 69 49.13 -96.20 REMARK 500 3 HIS A 74 -36.13 -34.44 REMARK 500 4 PHE A 10 -174.90 -63.02 REMARK 500 4 ARG A 54 -31.01 -37.46 REMARK 500 4 SER A 68 104.21 -57.63 REMARK 500 4 PRO A 100 0.51 -69.75 REMARK 500 5 SER A 6 76.54 -110.92 REMARK 500 5 ASP A 9 -175.46 -51.42 REMARK 500 5 PHE A 10 -175.89 -52.18 REMARK 500 5 TYR A 12 75.95 -107.47 REMARK 500 5 PHE A 24 39.40 -82.31 REMARK 500 5 ARG A 54 -32.66 -34.52 REMARK 500 5 THR A 69 51.85 -94.55 REMARK 500 6 ASP A 9 -175.40 -60.03 REMARK 500 6 ASP A 11 126.89 -38.53 REMARK 500 6 PHE A 24 40.67 -81.45 REMARK 500 6 ARG A 54 -29.54 -36.37 REMARK 500 6 SER A 98 42.36 -89.43 REMARK 500 7 SER A 2 41.40 -100.59 REMARK 500 7 ASP A 11 103.41 -42.36 REMARK 500 7 ARG A 54 -30.34 -36.48 REMARK 500 7 SER A 68 109.29 -38.09 REMARK 500 7 HIS A 74 -36.95 -38.51 REMARK 500 7 SER A 101 42.95 -81.89 REMARK 500 8 SER A 3 96.17 -54.35 REMARK 500 8 GLN A 8 34.90 -86.03 REMARK 500 8 ASP A 11 114.52 -172.75 REMARK 500 8 TYR A 12 75.48 -116.66 REMARK 500 8 ARG A 54 -29.75 -36.98 REMARK 500 8 HIS A 74 -37.40 -34.05 REMARK 500 8 SER A 98 128.98 -170.46 REMARK 500 8 PRO A 100 91.47 -69.75 REMARK 500 9 ASP A 11 104.95 -175.07 REMARK 500 9 PHE A 24 40.28 -81.78 REMARK 500 9 ARG A 54 -33.30 -33.76 REMARK 500 9 ASP A 59 173.84 -56.15 REMARK 500 REMARK 500 THIS ENTRY HAS 127 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: HSK002000688.1 RELATED DB: TARGETDB DBREF 1WFV A 8 97 UNP Q86UL8 AIP1_HUMAN 1169 1258 SEQADV 1WFV GLY A 1 UNP Q86UL8 CLONING ARTIFACT SEQADV 1WFV SER A 2 UNP Q86UL8 CLONING ARTIFACT SEQADV 1WFV SER A 3 UNP Q86UL8 CLONING ARTIFACT SEQADV 1WFV GLY A 4 UNP Q86UL8 CLONING ARTIFACT SEQADV 1WFV SER A 5 UNP Q86UL8 CLONING ARTIFACT SEQADV 1WFV SER A 6 UNP Q86UL8 CLONING ARTIFACT SEQADV 1WFV GLY A 7 UNP Q86UL8 CLONING ARTIFACT SEQADV 1WFV SER A 98 UNP Q86UL8 CLONING ARTIFACT SEQADV 1WFV GLY A 99 UNP Q86UL8 CLONING ARTIFACT SEQADV 1WFV PRO A 100 UNP Q86UL8 CLONING ARTIFACT SEQADV 1WFV SER A 101 UNP Q86UL8 CLONING ARTIFACT SEQADV 1WFV SER A 102 UNP Q86UL8 CLONING ARTIFACT SEQADV 1WFV GLY A 103 UNP Q86UL8 CLONING ARTIFACT SEQRES 1 A 103 GLY SER SER GLY SER SER GLY GLN ASP PHE ASP TYR PHE SEQRES 2 A 103 THR VAL ASP MET GLU LYS GLY ALA LYS GLY PHE GLY PHE SEQRES 3 A 103 SER ILE ARG GLY GLY ARG GLU TYR LYS MET ASP LEU TYR SEQRES 4 A 103 VAL LEU ARG LEU ALA GLU ASP GLY PRO ALA ILE ARG ASN SEQRES 5 A 103 GLY ARG MET ARG VAL GLY ASP GLN ILE ILE GLU ILE ASN SEQRES 6 A 103 GLY GLU SER THR ARG ASP MET THR HIS ALA ARG ALA ILE SEQRES 7 A 103 GLU LEU ILE LYS SER GLY GLY ARG ARG VAL ARG LEU LEU SEQRES 8 A 103 LEU LYS ARG GLY THR GLY SER GLY PRO SER SER GLY HELIX 1 1 GLY A 47 GLY A 53 1 7 HELIX 2 2 THR A 73 GLY A 85 1 13 SHEET 1 A 5 PHE A 13 THR A 14 0 SHEET 2 A 5 LEU A 90 LYS A 93 -1 O LEU A 92 N PHE A 13 SHEET 3 A 5 GLN A 60 ILE A 64 -1 N ILE A 62 O LEU A 91 SHEET 4 A 5 MET A 36 TYR A 39 -1 N LEU A 38 O ILE A 61 SHEET 5 A 5 ARG A 29 GLY A 31 -1 N ARG A 29 O TYR A 39 SHEET 1 B 4 PHE A 13 THR A 14 0 SHEET 2 B 4 LEU A 90 LYS A 93 -1 O LEU A 92 N PHE A 13 SHEET 3 B 4 GLN A 60 ILE A 64 -1 N ILE A 62 O LEU A 91 SHEET 4 B 4 GLU A 67 SER A 68 -1 O GLU A 67 N ILE A 64 SHEET 1 C 2 MET A 17 GLU A 18 0 SHEET 2 C 2 ARG A 87 VAL A 88 -1 O VAL A 88 N MET A 17 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