Header list of 2cqw.pdb file
Complete list - r 9 2 Bytes
HEADER PROTEIN BINDING 20-MAY-05 2CQW TITLE SOLUTION STRUCTURE OF RSGI RUH-041, A SMB-LIKE DOMAIN FROM MOUSE CDNA COMPND MOL_ID: 1; COMPND 2 MOLECULE: SUSHI DOMAIN CONTAINING 2; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SMB-LIKE DOMAIN; COMPND 5 SYNONYM: RSGI RUH-041, A SOMATOMEDIN_B-LIKE DOMAIN; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 GENE: SUSD2; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040315-19; SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS SOMATOMEDIN_B-LIKE DOMAIN, PROTEIN BINDING, STRUCTURAL GENOMICS, KEYWDS 2 NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL KEYWDS 3 ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR T.HAMADA,H.HIROTA,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI) REVDAT 3 09-MAR-22 2CQW 1 REMARK SEQADV REVDAT 2 24-FEB-09 2CQW 1 VERSN REVDAT 1 20-NOV-05 2CQW 0 JRNL AUTH T.HAMADA,H.HIROTA,F.HAYASHI,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF RSGI RUH-041, A SMB-LIKE DOMAIN FROM JRNL TITL 2 MOUSE CDNA 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 1.0.8 REMARK 3 AUTHORS : VARIAN (VNMR), GUNTERT, P. (CYANA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2CQW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 27-MAY-05. REMARK 100 THE DEPOSITION ID IS D_1000024523. 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 : 1.06MM SMB-LIKE DOMAIN U REMARK 210 -15N,13C; 20MM D-TRIS-HCL BUFFER REMARK 210 (PH 7.0); 100MM NACL; 0.02% NAN3 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ REMARK 210 SPECTROMETER MODEL : INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE 20031121, NMRVIEW 5.0.4, REMARK 210 KUJIRA 0.9295, CYANA 1.0.8 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 : TARGET FUNCTION,STRUCTURES WITH REMARK 210 THE LOWEST ENERGY,STRUCTURES REMARK 210 WITH THE LEAST RESTRAINT REMARK 210 VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING 3D NMR TECHNIQUES 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 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 -58.61 -134.83 REMARK 500 1 SER A 5 -59.59 -135.27 REMARK 500 1 SER A 6 145.98 66.83 REMARK 500 1 THR A 14 93.57 60.29 REMARK 500 1 ALA A 15 -63.61 -91.76 REMARK 500 1 ARG A 24 -93.37 -114.71 REMARK 500 1 GLU A 54 42.74 -162.05 REMARK 500 1 MET A 62 117.56 59.23 REMARK 500 1 MET A 63 -54.23 -141.41 REMARK 500 1 VAL A 70 145.94 -170.26 REMARK 500 1 GLN A 71 122.32 -174.14 REMARK 500 1 LYS A 74 143.35 -170.16 REMARK 500 1 TRP A 75 116.32 -175.02 REMARK 500 1 ASP A 77 99.83 176.81 REMARK 500 2 SER A 2 170.58 179.17 REMARK 500 2 ILE A 8 89.85 63.81 REMARK 500 2 PRO A 11 -167.42 -74.99 REMARK 500 2 PHE A 13 148.92 -174.22 REMARK 500 2 THR A 14 -62.88 -143.06 REMARK 500 2 ALA A 17 74.10 61.11 REMARK 500 2 ARG A 24 -92.19 -108.90 REMARK 500 2 GLU A 54 37.04 -175.15 REMARK 500 2 SER A 61 85.17 56.30 REMARK 500 2 MET A 63 -71.40 67.00 REMARK 500 2 SER A 82 166.86 179.49 REMARK 500 3 SER A 2 -58.76 -160.37 REMARK 500 3 SER A 3 169.18 58.57 REMARK 500 3 SER A 6 155.96 62.93 REMARK 500 3 ILE A 8 87.26 -162.19 REMARK 500 3 PHE A 13 133.26 -172.00 REMARK 500 3 GLN A 18 -71.79 -88.49 REMARK 500 3 ARG A 24 -94.12 -44.53 REMARK 500 3 GLU A 54 40.67 -157.91 REMARK 500 3 MET A 63 93.13 46.52 REMARK 500 3 VAL A 69 -67.08 -98.57 REMARK 500 3 VAL A 70 -163.98 44.26 REMARK 500 3 GLN A 71 166.33 177.39 REMARK 500 4 SER A 2 89.09 43.65 REMARK 500 4 SER A 5 118.97 -173.66 REMARK 500 4 ARG A 24 -93.68 -120.45 REMARK 500 4 GLU A 54 37.90 -176.20 REMARK 500 4 LEU A 56 154.78 -49.65 REMARK 500 4 MET A 63 -56.46 -152.57 REMARK 500 4 VAL A 69 144.53 63.33 REMARK 500 4 GLN A 71 170.89 -59.24 REMARK 500 4 THR A 76 114.32 59.17 REMARK 500 4 SER A 82 157.13 59.41 REMARK 500 4 SER A 83 -58.61 -155.87 REMARK 500 5 SER A 5 171.18 62.93 REMARK 500 5 PHE A 13 -56.02 -128.39 REMARK 500 REMARK 500 THIS ENTRY HAS 226 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: MMT007006808.1 RELATED DB: TARGETDB DBREF 2CQW A 8 78 UNP Q9DBX3 Q9DBX3_MOUSE 16 86 SEQADV 2CQW GLY A 1 UNP Q9DBX3 CLONING ARTIFACT SEQADV 2CQW SER A 2 UNP Q9DBX3 CLONING ARTIFACT SEQADV 2CQW SER A 3 UNP Q9DBX3 CLONING ARTIFACT SEQADV 2CQW GLY A 4 UNP Q9DBX3 CLONING ARTIFACT SEQADV 2CQW SER A 5 UNP Q9DBX3 CLONING ARTIFACT SEQADV 2CQW SER A 6 UNP Q9DBX3 CLONING ARTIFACT SEQADV 2CQW GLY A 7 UNP Q9DBX3 CLONING ARTIFACT SEQADV 2CQW SER A 79 UNP Q9DBX3 CLONING ARTIFACT SEQADV 2CQW GLY A 80 UNP Q9DBX3 CLONING ARTIFACT SEQADV 2CQW PRO A 81 UNP Q9DBX3 CLONING ARTIFACT SEQADV 2CQW SER A 82 UNP Q9DBX3 CLONING ARTIFACT SEQADV 2CQW SER A 83 UNP Q9DBX3 CLONING ARTIFACT SEQADV 2CQW GLY A 84 UNP Q9DBX3 CLONING ARTIFACT SEQRES 1 A 84 GLY SER SER GLY SER SER GLY ILE PRO GLY PRO GLY PHE SEQRES 2 A 84 THR ALA GLY ALA GLN GLY SER CYS SER LEU ARG CYS GLY SEQRES 3 A 84 ALA GLN ASP GLY LEU CYS SER CYS HIS PRO THR CYS SER SEQRES 4 A 84 GLY LEU GLY THR CYS CYS GLU ASP PHE LEU ASP TYR CYS SEQRES 5 A 84 LEU GLU ILE LEU PRO SER SER GLY SER MET MET GLY GLY SEQRES 6 A 84 LYS ASP PHE VAL VAL GLN HIS LEU LYS TRP THR ASP PRO SEQRES 7 A 84 SER GLY PRO SER SER GLY HELIX 1 1 THR A 37 GLY A 42 1 6 HELIX 2 2 ASP A 47 CYS A 52 1 6 SSBOND 1 CYS A 21 CYS A 34 1555 1555 2.10 SSBOND 2 CYS A 25 CYS A 52 1555 1555 2.01 SSBOND 3 CYS A 32 CYS A 45 1555 1555 2.10 SSBOND 4 CYS A 38 CYS A 44 1555 1555 2.09 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 9 2 Bytes