Header list of 1ujd.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-JUL-03 1UJD TITLE SOLUTION STRUCTURE OF RSGI RUH-003, A PDZ DOMAIN OF HYPOTHETICAL TITLE 2 KIAA0559 PROTEIN FROM HUMAN CDNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: KIAA0559 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PDZ DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS PDZ DOMAIN, STRUCTURAL GENOMICS, HUMAN CDNA, RIKEN STRUCTURAL KEYWDS 2 GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR W.OHASHI,H.HIROTA,T.YAMAZAKI,Y.MUTO,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1UJD 1 REMARK SEQADV REVDAT 2 24-FEB-09 1UJD 1 VERSN REVDAT 1 31-JAN-04 1UJD 0 JRNL AUTH W.OHASHI,H.HIROTA,T.YAMAZAKI,Y.MUTO,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF RSGI RUH-003, A PDZ DOMAIN OF JRNL TITL 2 HYPOTHETICAL KIAA0559 PROTEIN FROM HUMAN CDNA JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : XWINNMR 3.1, CYANA 1.0.7 REMARK 3 AUTHORS : BRUKER (XWINNMR), GUENTERT (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1UJD COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 04-AUG-03. REMARK 100 THE DEPOSITION ID IS D_1000005889. 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 : 100MM NACL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.5MM RSGI RUH-003 U-13C,15N; REMARK 210 20MM TRIS-HCL, 100MM NACL, 1MM REMARK 210 DTT U-2H, 0.02% NAN3; 90% H2O, REMARK 210 10% 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 2.1, NMRVIEW 5.0.4, REMARK 210 CYANA 1.0.7 REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION REMARK 210 ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : THE SUBMITTED CONFORMER MODELS REMARK 210 ARE THOSE WITH THE LOWEST NUMBER REMARK 210 OF TARGET FUNCTION REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY 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 GLN A 91 H SER A 95 1.48 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 -57.96 -164.65 REMARK 500 1 SER A 6 133.52 61.80 REMARK 500 1 LYS A 23 146.87 67.45 REMARK 500 1 ASP A 24 -61.02 -172.64 REMARK 500 1 HIS A 25 64.38 -175.47 REMARK 500 1 VAL A 27 56.40 -155.21 REMARK 500 1 SER A 28 -57.72 -150.04 REMARK 500 1 LEU A 32 151.31 66.78 REMARK 500 1 HIS A 45 151.23 -45.89 REMARK 500 1 SER A 84 42.31 71.37 REMARK 500 1 LYS A 85 -156.77 -132.02 REMARK 500 1 SER A 95 71.12 -66.97 REMARK 500 1 GLN A 96 70.40 -179.05 REMARK 500 1 GLN A 97 109.51 -169.60 REMARK 500 1 GLU A 100 157.12 -39.04 REMARK 500 1 LEU A 107 -80.73 -73.07 REMARK 500 1 ASP A 108 94.80 -69.36 REMARK 500 1 LEU A 109 136.77 -177.77 REMARK 500 1 SER A 112 88.52 61.26 REMARK 500 2 SER A 3 93.89 67.64 REMARK 500 2 SER A 5 112.80 -176.11 REMARK 500 2 TYR A 9 -179.98 -60.11 REMARK 500 2 SER A 22 -69.51 68.06 REMARK 500 2 LYS A 23 78.11 168.82 REMARK 500 2 ASP A 24 137.60 174.02 REMARK 500 2 HIS A 25 156.11 168.16 REMARK 500 2 VAL A 27 122.07 62.15 REMARK 500 2 SER A 28 125.89 63.61 REMARK 500 2 LEU A 32 -69.47 68.11 REMARK 500 2 HIS A 45 167.53 -44.76 REMARK 500 2 LEU A 57 157.43 -40.61 REMARK 500 2 SER A 84 32.23 81.13 REMARK 500 2 GLU A 89 -71.12 -39.96 REMARK 500 2 GLU A 100 160.23 -40.60 REMARK 500 2 LEU A 109 124.85 -177.13 REMARK 500 2 MET A 111 -64.83 -106.31 REMARK 500 2 SER A 112 128.18 67.64 REMARK 500 3 SER A 2 -57.31 -177.44 REMARK 500 3 ASP A 21 80.06 48.82 REMARK 500 3 SER A 22 -49.24 -175.56 REMARK 500 3 LYS A 23 96.66 56.23 REMARK 500 3 ASP A 24 -70.38 -55.64 REMARK 500 3 HIS A 25 -67.42 -167.17 REMARK 500 3 THR A 26 -91.36 -159.32 REMARK 500 3 PRO A 43 -72.40 -74.95 REMARK 500 3 SER A 46 85.63 -64.13 REMARK 500 3 LEU A 57 150.10 -41.19 REMARK 500 3 SER A 84 35.29 80.49 REMARK 500 3 GLU A 88 -70.47 -50.86 REMARK 500 3 SER A 95 -76.09 -38.55 REMARK 500 REMARK 500 THIS ENTRY HAS 341 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: HSK002000544.1 RELATED DB: TARGETDB DBREF 1UJD A 8 111 UNP Q9Y6V0 PCLO_HUMAN 766 869 SEQADV 1UJD GLY A 1 UNP Q9Y6V0 CLONING ARTIFACT SEQADV 1UJD SER A 2 UNP Q9Y6V0 CLONING ARTIFACT SEQADV 1UJD SER A 3 UNP Q9Y6V0 CLONING ARTIFACT SEQADV 1UJD GLY A 4 UNP Q9Y6V0 CLONING ARTIFACT SEQADV 1UJD SER A 5 UNP Q9Y6V0 CLONING ARTIFACT SEQADV 1UJD SER A 6 UNP Q9Y6V0 CLONING ARTIFACT SEQADV 1UJD GLY A 7 UNP Q9Y6V0 CLONING ARTIFACT SEQADV 1UJD SER A 112 UNP Q9Y6V0 CLONING ARTIFACT SEQADV 1UJD GLY A 113 UNP Q9Y6V0 CLONING ARTIFACT SEQADV 1UJD PRO A 114 UNP Q9Y6V0 CLONING ARTIFACT SEQADV 1UJD SER A 115 UNP Q9Y6V0 CLONING ARTIFACT SEQADV 1UJD SER A 116 UNP Q9Y6V0 CLONING ARTIFACT SEQADV 1UJD GLY A 117 UNP Q9Y6V0 CLONING ARTIFACT SEQRES 1 A 117 GLY SER SER GLY SER SER GLY HIS TYR ILE PHE PRO HIS SEQRES 2 A 117 ALA ARG ILE LYS ILE THR ARG ASP SER LYS ASP HIS THR SEQRES 3 A 117 VAL SER GLY ASN GLY LEU GLY ILE ARG ILE VAL GLY GLY SEQRES 4 A 117 LYS GLU ILE PRO GLY HIS SER GLY GLU ILE GLY ALA TYR SEQRES 5 A 117 ILE ALA LYS ILE LEU PRO GLY GLY SER ALA GLU GLN THR SEQRES 6 A 117 GLY LYS LEU MET GLU GLY MET GLN VAL LEU GLU TRP ASN SEQRES 7 A 117 GLY ILE PRO LEU THR SER LYS THR TYR GLU GLU VAL GLN SEQRES 8 A 117 SER ILE ILE SER GLN GLN SER GLY GLU ALA GLU ILE CYS SEQRES 9 A 117 VAL ARG LEU ASP LEU ASN MET SER GLY PRO SER SER GLY HELIX 1 1 GLY A 60 GLY A 66 1 7 HELIX 2 2 THR A 86 SER A 95 1 10 SHEET 1 A 5 HIS A 13 ILE A 18 0 SHEET 2 A 5 ALA A 101 ARG A 106 -1 O ALA A 101 N ILE A 18 SHEET 3 A 5 GLN A 73 TRP A 77 -1 N GLU A 76 O CYS A 104 SHEET 4 A 5 ILE A 49 ILE A 56 -1 N ALA A 51 O VAL A 74 SHEET 5 A 5 ILE A 34 GLU A 41 -1 N VAL A 37 O TYR A 52 SHEET 1 B 4 HIS A 13 ILE A 18 0 SHEET 2 B 4 ALA A 101 ARG A 106 -1 O ALA A 101 N ILE A 18 SHEET 3 B 4 GLN A 73 TRP A 77 -1 N GLU A 76 O CYS A 104 SHEET 4 B 4 ILE A 80 PRO A 81 -1 O ILE A 80 N TRP A 77 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