Header list of 1wj3.pdb file
Complete list - r 2 2 Bytes
HEADER NEUROPEPTIDE 28-MAY-04 1WJ3 TITLE SOLUTION STRUCTURE OF THE FOURTH FN3 DOMAIN OF KIAA1496 PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: KIAA1496 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: FN3 DOMAIN; COMPND 5 SYNONYM: PLASMACYTOMA-ASSOCIATED NEURONAL GLYCOPROTEIN; 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 FJ09513; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P030728-76; SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS BETA SANDWICH, PANG, KIAA1496 PROTEIN, STRUCTURAL GENOMICS, RIKEN KEYWDS 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, NEUROPEPTIDE EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR K.INOUE,T.NAGASHIMA,N.TOCHIO,T.KIGAWA,F.HAYASHI,S.YOKOYAMA,RIKEN AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1WJ3 1 REMARK SEQADV REVDAT 2 24-FEB-09 1WJ3 1 VERSN REVDAT 1 28-NOV-04 1WJ3 0 JRNL AUTH K.INOUE,T.NAGASHIMA,N.TOCHIO,T.KIGAWA,F.HAYASHI,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF THE FOURTH FN3 DOMAIN OF KIAA1496 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 : 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 1WJ3 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 09-JUN-04. REMARK 100 THE DEPOSITION ID IS D_1000023633. 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 : 0.98MM 13C, 15N-LABELED PROTEIN; REMARK 210 20MM D-TRIS-HCL; 100MM NACL; 1MM REMARK 210 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 0.8992, 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 : NULL 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 PHE A 56 O GLU A 88 1.50 REMARK 500 H LYS A 54 O LYS A 90 1.57 REMARK 500 H THR A 93 O GLY A 96 1.58 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 5 145.00 -174.03 REMARK 500 1 SER A 6 -61.53 -149.06 REMARK 500 1 VAL A 9 165.47 -46.26 REMARK 500 1 LYS A 14 164.91 60.36 REMARK 500 1 SER A 19 -5.67 82.59 REMARK 500 1 VAL A 25 92.73 -64.30 REMARK 500 1 ASP A 31 -94.23 46.38 REMARK 500 1 THR A 32 42.79 -153.70 REMARK 500 1 GLU A 39 -179.88 -61.71 REMARK 500 1 ASN A 46 -46.90 85.59 REMARK 500 1 SER A 61 -81.54 -122.04 REMARK 500 1 GLN A 62 149.24 59.98 REMARK 500 1 ASN A 71 43.06 -90.62 REMARK 500 1 LYS A 82 156.69 64.89 REMARK 500 1 GLU A 83 136.41 63.56 REMARK 500 1 ASP A 97 -179.72 -64.81 REMARK 500 1 SER A 101 -158.14 -59.38 REMARK 500 1 ARG A 108 -177.92 -50.46 REMARK 500 1 THR A 110 169.68 -47.16 REMARK 500 1 SER A 115 83.27 48.27 REMARK 500 1 SER A 116 71.26 -106.28 REMARK 500 2 SER A 6 81.25 45.56 REMARK 500 2 VAL A 11 -46.42 -131.89 REMARK 500 2 SER A 19 38.57 -87.89 REMARK 500 2 VAL A 25 91.32 -68.84 REMARK 500 2 ASP A 31 -92.65 50.11 REMARK 500 2 THR A 32 42.67 -156.87 REMARK 500 2 GLU A 45 134.51 -37.55 REMARK 500 2 ASN A 46 -28.83 90.91 REMARK 500 2 SER A 61 86.10 -156.67 REMARK 500 2 GLU A 83 141.79 61.59 REMARK 500 2 ASP A 84 176.32 -57.82 REMARK 500 2 SER A 101 -174.40 -52.59 REMARK 500 2 ARG A 108 153.48 -37.63 REMARK 500 2 SER A 111 82.98 -170.90 REMARK 500 2 SER A 112 -56.59 -164.59 REMARK 500 2 SER A 115 114.50 61.21 REMARK 500 3 SER A 6 168.52 56.08 REMARK 500 3 THR A 13 94.07 48.34 REMARK 500 3 LYS A 14 171.70 60.01 REMARK 500 3 VAL A 25 90.56 -64.32 REMARK 500 3 ASP A 31 -90.36 52.44 REMARK 500 3 THR A 32 46.63 -153.60 REMARK 500 3 GLU A 39 -178.57 -58.17 REMARK 500 3 GLU A 45 137.59 -37.47 REMARK 500 3 ASN A 46 -48.09 87.01 REMARK 500 3 SER A 61 85.17 -150.63 REMARK 500 3 GLU A 83 144.74 60.53 REMARK 500 3 ASP A 84 175.31 -53.08 REMARK 500 3 ARG A 108 141.68 -38.52 REMARK 500 REMARK 500 THIS ENTRY HAS 349 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: HSK002001468.1 RELATED DB: TARGETDB DBREF 1WJ3 A 8 111 UNP Q9P232 CNTN3_HUMAN 785 888 SEQADV 1WJ3 GLY A 1 UNP Q9P232 CLONING ARTIFACT SEQADV 1WJ3 SER A 2 UNP Q9P232 CLONING ARTIFACT SEQADV 1WJ3 SER A 3 UNP Q9P232 CLONING ARTIFACT SEQADV 1WJ3 GLY A 4 UNP Q9P232 CLONING ARTIFACT SEQADV 1WJ3 SER A 5 UNP Q9P232 CLONING ARTIFACT SEQADV 1WJ3 SER A 6 UNP Q9P232 CLONING ARTIFACT SEQADV 1WJ3 GLY A 7 UNP Q9P232 CLONING ARTIFACT SEQADV 1WJ3 SER A 112 UNP Q9P232 CLONING ARTIFACT SEQADV 1WJ3 GLY A 113 UNP Q9P232 CLONING ARTIFACT SEQADV 1WJ3 PRO A 114 UNP Q9P232 CLONING ARTIFACT SEQADV 1WJ3 SER A 115 UNP Q9P232 CLONING ARTIFACT SEQADV 1WJ3 SER A 116 UNP Q9P232 CLONING ARTIFACT SEQADV 1WJ3 GLY A 117 UNP Q9P232 CLONING ARTIFACT SEQRES 1 A 117 GLY SER SER GLY SER SER GLY THR VAL ASN VAL THR THR SEQRES 2 A 117 LYS LYS THR PRO PRO SER GLN PRO PRO GLY ASN VAL VAL SEQRES 3 A 117 TRP ASN ALA THR ASP THR LYS VAL LEU LEU ASN TRP GLU SEQRES 4 A 117 GLN VAL LYS ALA MET GLU ASN GLU SER GLU VAL THR GLY SEQRES 5 A 117 TYR LYS VAL PHE TYR ARG THR SER SER GLN ASN ASN VAL SEQRES 6 A 117 GLN VAL LEU ASN THR ASN LYS THR SER ALA GLU LEU VAL SEQRES 7 A 117 LEU PRO ILE LYS GLU ASP TYR ILE ILE GLU VAL LYS ALA SEQRES 8 A 117 THR THR ASP GLY GLY ASP GLY THR SER SER GLU GLN ILE SEQRES 9 A 117 ARG ILE PRO ARG ILE THR SER SER GLY PRO SER SER GLY SHEET 1 A 3 ALA A 29 THR A 30 0 SHEET 2 A 3 LYS A 33 ASN A 37 -1 O LYS A 33 N THR A 30 SHEET 3 A 3 SER A 74 VAL A 78 -1 O ALA A 75 N LEU A 36 SHEET 1 B 4 GLN A 66 THR A 70 0 SHEET 2 B 4 VAL A 50 THR A 59 -1 N VAL A 55 O LEU A 68 SHEET 3 B 4 TYR A 85 THR A 93 -1 O GLU A 88 N PHE A 56 SHEET 4 B 4 ILE A 104 ILE A 106 -1 O ILE A 104 N ILE A 87 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