Header list of 1uit.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-JUL-03 1UIT TITLE SOLUTION STRUCTURE OF RSGI RUH-006, THE THIRD PDZ DOMAIN OF HDLG5 TITLE 2 (KIAA0583) PROTEIN [HOMO SAPIENS] COMPND MOL_ID: 1; COMPND 2 MOLECULE: HUMAN DISCS LARGE 5 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PDZ DOMAIN; COMPND 5 SYNONYM: HDLG5/KIAA0583 PROTEIN, DISCS, LARGE HOMOLOG 5; 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 HJ00729; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P021030-24; SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS SYSTEM KEYWDS PDZ DOMAIN, HDLG5, MAGUK FAMILY, STRUCTURAL GENOMICS, RIKEN KEYWDS 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN FUNCTION EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR T.ABE,H.HIROTA,N.KOBAYASHI,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 02-MAR-22 1UIT 1 REMARK SEQADV REVDAT 2 24-FEB-09 1UIT 1 VERSN REVDAT 1 22-JAN-04 1UIT 0 JRNL AUTH T.ABE,H.HIROTA,N.KOBAYASHI,F.HAYASHI,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF RSGI RUH-006, THE THIRD PDZ DOMAIN OF JRNL TITL 2 HDLG5 (KIAA0583) PROTEIN [HOMO SAPIENS] 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 1UIT COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 24-JUL-03. REMARK 100 THE DEPOSITION ID IS D_1000005869. 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 : 1.3MM RSGI RUH-006 U-15N, 13C; REMARK 210 20MM D-TRIS-HCL BUFFER; 100MM REMARK 210 NACL; 1MM D-DTT; 0.02% NAN3; 90% REMARK 210 H2O, 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 : 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 0.816 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 : 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: 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 THR A 78 H ALA A 82 1.49 REMARK 500 O GLN A 81 H ILE A 85 1.52 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 3 -59.47 -140.64 REMARK 500 1 GLU A 9 109.82 -161.71 REMARK 500 1 TYR A 16 -63.47 68.17 REMARK 500 1 GLU A 18 107.97 -41.83 REMARK 500 1 GLU A 19 159.13 -40.80 REMARK 500 1 GLN A 26 71.36 -104.59 REMARK 500 1 LYS A 27 -73.96 -54.45 REMARK 500 1 SER A 29 41.80 79.12 REMARK 500 1 GLU A 40 -74.63 -39.38 REMARK 500 1 ASP A 64 104.81 -57.69 REMARK 500 1 ILE A 72 158.39 -44.84 REMARK 500 1 GLN A 98 80.86 -171.37 REMARK 500 1 TYR A 99 131.84 -36.92 REMARK 500 1 HIS A 102 55.13 -159.46 REMARK 500 1 VAL A 103 63.12 -164.61 REMARK 500 1 SER A 116 81.44 48.20 REMARK 500 2 LYS A 12 -61.68 -179.61 REMARK 500 2 TYR A 16 -42.69 -160.64 REMARK 500 2 GLU A 18 107.30 -49.87 REMARK 500 2 GLU A 19 153.27 -39.21 REMARK 500 2 GLN A 26 67.98 -107.29 REMARK 500 2 LYS A 27 -80.13 -55.69 REMARK 500 2 SER A 29 35.49 -168.31 REMARK 500 2 GLU A 40 -66.70 73.55 REMARK 500 2 ASN A 70 17.03 58.67 REMARK 500 2 ARG A 75 111.68 -39.65 REMARK 500 2 SER A 76 33.81 85.29 REMARK 500 2 CYS A 90 112.94 160.06 REMARK 500 2 GLN A 98 82.96 -175.35 REMARK 500 2 TYR A 99 142.72 -37.54 REMARK 500 2 HIS A 102 51.36 -160.53 REMARK 500 2 VAL A 103 71.73 -158.52 REMARK 500 2 HIS A 104 -72.68 -73.99 REMARK 500 2 GLN A 105 91.51 54.02 REMARK 500 2 SER A 107 165.10 -49.35 REMARK 500 2 SER A 108 88.58 57.56 REMARK 500 2 HIS A 109 66.99 -159.70 REMARK 500 2 ARG A 111 168.89 57.35 REMARK 500 2 SER A 115 -57.97 -169.49 REMARK 500 3 SER A 5 115.52 -178.15 REMARK 500 3 SER A 6 166.22 178.47 REMARK 500 3 TYR A 16 150.68 56.84 REMARK 500 3 GLU A 18 109.16 -47.58 REMARK 500 3 GLU A 19 156.34 -47.80 REMARK 500 3 GLN A 26 73.17 -109.83 REMARK 500 3 LYS A 27 -76.31 -55.83 REMARK 500 3 SER A 29 32.57 -163.74 REMARK 500 3 CYS A 90 109.00 179.03 REMARK 500 3 GLN A 98 77.73 -164.07 REMARK 500 3 HIS A 102 60.96 -165.39 REMARK 500 REMARK 500 THIS ENTRY HAS 389 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: HSK002000567.1 RELATED DB: TARGETDB DBREF 1UIT A 8 111 UNP Q8TDM6 DLG5_HUMAN 1226 1329 SEQADV 1UIT GLY A 1 UNP Q8TDM6 CLONING ARTIFACT SEQADV 1UIT SER A 2 UNP Q8TDM6 CLONING ARTIFACT SEQADV 1UIT SER A 3 UNP Q8TDM6 CLONING ARTIFACT SEQADV 1UIT GLY A 4 UNP Q8TDM6 CLONING ARTIFACT SEQADV 1UIT SER A 5 UNP Q8TDM6 CLONING ARTIFACT SEQADV 1UIT SER A 6 UNP Q8TDM6 CLONING ARTIFACT SEQADV 1UIT GLY A 7 UNP Q8TDM6 CLONING ARTIFACT SEQADV 1UIT SER A 112 UNP Q8TDM6 CLONING ARTIFACT SEQADV 1UIT GLY A 113 UNP Q8TDM6 CLONING ARTIFACT SEQADV 1UIT PRO A 114 UNP Q8TDM6 CLONING ARTIFACT SEQADV 1UIT SER A 115 UNP Q8TDM6 CLONING ARTIFACT SEQADV 1UIT SER A 116 UNP Q8TDM6 CLONING ARTIFACT SEQADV 1UIT GLY A 117 UNP Q8TDM6 CLONING ARTIFACT SEQRES 1 A 117 GLY SER SER GLY SER SER GLY GLY GLU ARG ARG LYS ASP SEQRES 2 A 117 ARG PRO TYR VAL GLU GLU PRO ARG HIS VAL LYS VAL GLN SEQRES 3 A 117 LYS GLY SER GLU PRO LEU GLY ILE SER ILE VAL SER GLY SEQRES 4 A 117 GLU LYS GLY GLY ILE TYR VAL SER LYS VAL THR VAL GLY SEQRES 5 A 117 SER ILE ALA HIS GLN ALA GLY LEU GLU TYR GLY ASP GLN SEQRES 6 A 117 LEU LEU GLU PHE ASN GLY ILE ASN LEU ARG SER ALA THR SEQRES 7 A 117 GLU GLN GLN ALA ARG LEU ILE ILE GLY GLN GLN CYS ASP SEQRES 8 A 117 THR ILE THR ILE LEU ALA GLN TYR ASN PRO HIS VAL HIS SEQRES 9 A 117 GLN LEU SER SER HIS SER ARG SER GLY PRO SER SER GLY HELIX 1 1 SER A 53 GLY A 59 1 7 HELIX 2 2 THR A 78 ILE A 86 1 9 SHEET 1 A 4 ARG A 21 GLN A 26 0 SHEET 2 A 4 THR A 92 ALA A 97 -1 O ALA A 97 N ARG A 21 SHEET 3 A 4 GLU A 68 PHE A 69 -1 N GLU A 68 O LEU A 96 SHEET 4 A 4 ILE A 72 ASN A 73 -1 O ILE A 72 N PHE A 69 SHEET 1 B 3 ILE A 34 SER A 38 0 SHEET 2 B 3 ILE A 44 VAL A 49 -1 O LYS A 48 N SER A 35 SHEET 3 B 3 GLN A 65 LEU A 66 -1 O LEU A 66 N ILE A 44 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