Header list of 2d8c.pdb file
Complete list - r 9 2 Bytes
HEADER TRANSFERASE 02-DEC-05 2D8C TITLE SOLUTION STRUCTURE OF THE SAM-DOMAIN OF MOUSE PHOSPHATIDYL TITLE 2 CERAMIDECHOLINEPHOSPHOTRANSFERASE 1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: PHOSPHATIDYLCHOLINE:CERAMIDE CHOLINEPHOSPHOTRANSFERASE 1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SAM DOMAIN; COMPND 5 SYNONYM: TRANSMEMBRANE PROTEIN 23, SPHINGOMYELIN SYNTHASE 1, MOB COMPND 6 PROTEIN; COMPND 7 EC: 2.7.-.-; COMPND 8 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: 9530058O11RIK; SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P041101-13; SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS KEYWDS CELL-FREE PROTEIN SYNTHESIS, PROTEIN REGULATION, LIPID METABOLISM, KEYWDS 2 STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL KEYWDS 3 AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS KEYWDS 4 INITIATIVE, RSGI, TRANSFERASE EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR A.K.GORONCY,T.KIGAWA,S.KOSHIBA,T.TOMIZAWA,N.KOBAYASHI,N.TOCHIO, AUTHOR 2 M.INOUE,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE AUTHOR 3 (RSGI) REVDAT 3 09-MAR-22 2D8C 1 REMARK SEQADV REVDAT 2 24-FEB-09 2D8C 1 VERSN REVDAT 1 02-JUN-06 2D8C 0 JRNL AUTH A.K.GORONCY,T.KIGAWA,S.KOSHIBA,T.TOMIZAWA,N.KOBAYASHI, JRNL AUTH 2 N.TOCHIO,M.INOUE,S.YOKOYAMA JRNL TITL SOLUTION STRUCTURE OF THE SAM-DOMAIN OF MOUSE PHOSPHATIDYL JRNL TITL 2 CERAMIDECHOLINEPHOSPHOTRANSFERASE 1 JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CYANA 2.0.17 REMARK 3 AUTHORS : PETER GUNTERT ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2D8C COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 09-DEC-05. REMARK 100 THE DEPOSITION ID IS D_1000025113. 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 : 1.51MM SAM DOMAIN, 20MM D-TRIS REMARK 210 -HCL, 100MM NACL, 1MM D-DTT, REMARK 210 0.02% NAN3; 90% H2O, 10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CYANA 2.0.17, XWINNMR 3.5, REMARK 210 NMRPIPE 20020425, NMRVIEW 5.0.4, REMARK 210 KUJIRA 0.899A 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 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 SER A 2 -58.76 -121.99 REMARK 500 1 VAL A 17 25.77 39.51 REMARK 500 1 TRP A 20 174.19 -51.51 REMARK 500 1 VAL A 25 -37.61 -39.06 REMARK 500 1 ALA A 33 49.45 70.59 REMARK 500 1 ARG A 64 43.32 33.48 REMARK 500 1 MET A 82 -33.26 -34.05 REMARK 500 1 HIS A 89 170.62 -54.64 REMARK 500 1 ASN A 91 139.94 -39.71 REMARK 500 2 SER A 3 151.07 -41.88 REMARK 500 2 SER A 6 41.28 37.23 REMARK 500 2 THR A 13 138.55 -38.00 REMARK 500 2 VAL A 17 25.08 41.21 REMARK 500 2 TRP A 20 -179.12 -53.37 REMARK 500 2 VAL A 25 -33.23 -39.02 REMARK 500 2 ARG A 64 40.23 30.88 REMARK 500 2 ASP A 68 32.99 -97.71 REMARK 500 2 ASN A 69 27.48 40.83 REMARK 500 2 MET A 82 -34.34 -35.86 REMARK 500 2 HIS A 85 82.81 -62.13 REMARK 500 2 LYS A 90 119.80 -162.99 REMARK 500 3 SER A 3 -60.71 -123.80 REMARK 500 3 ALA A 11 -75.04 -60.82 REMARK 500 3 VAL A 17 25.05 42.59 REMARK 500 3 TRP A 20 -176.04 -52.17 REMARK 500 3 VAL A 25 -33.08 -39.28 REMARK 500 3 ALA A 33 44.16 73.00 REMARK 500 3 SER A 67 37.45 -84.48 REMARK 500 3 ASN A 69 31.12 71.79 REMARK 500 3 LEU A 74 -39.99 -39.49 REMARK 500 3 MET A 82 -33.06 -36.82 REMARK 500 3 HIS A 85 82.38 -68.71 REMARK 500 3 MET A 86 41.91 -103.47 REMARK 500 3 SER A 96 41.80 -87.45 REMARK 500 4 VAL A 17 30.87 34.40 REMARK 500 4 TRP A 20 175.59 -53.50 REMARK 500 4 SER A 67 32.93 -86.46 REMARK 500 4 MET A 82 -33.99 -34.41 REMARK 500 4 PRO A 94 87.05 -69.81 REMARK 500 5 MET A 8 171.32 -46.90 REMARK 500 5 ARG A 12 -58.52 -122.50 REMARK 500 5 VAL A 17 24.93 41.99 REMARK 500 5 TRP A 20 179.51 -51.22 REMARK 500 5 VAL A 25 -37.02 -38.96 REMARK 500 5 LEU A 62 100.49 -59.14 REMARK 500 5 ASP A 68 35.34 -83.21 REMARK 500 5 MET A 82 -35.52 -34.05 REMARK 500 5 HIS A 85 46.63 -77.68 REMARK 500 5 GLU A 87 40.53 -97.36 REMARK 500 5 HIS A 89 158.73 -42.85 REMARK 500 REMARK 500 THIS ENTRY HAS 172 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: MMT008001227.1 RELATED DB: TARGETDB DBREF 2D8C A 8 91 UNP Q8VCQ6 SMS1_MOUSE 1 84 SEQADV 2D8C GLY A 1 UNP Q8VCQ6 CLONING ARTIFACT SEQADV 2D8C SER A 2 UNP Q8VCQ6 CLONING ARTIFACT SEQADV 2D8C SER A 3 UNP Q8VCQ6 CLONING ARTIFACT SEQADV 2D8C GLY A 4 UNP Q8VCQ6 CLONING ARTIFACT SEQADV 2D8C SER A 5 UNP Q8VCQ6 CLONING ARTIFACT SEQADV 2D8C SER A 6 UNP Q8VCQ6 CLONING ARTIFACT SEQADV 2D8C GLY A 7 UNP Q8VCQ6 CLONING ARTIFACT SEQADV 2D8C SER A 92 UNP Q8VCQ6 CLONING ARTIFACT SEQADV 2D8C GLY A 93 UNP Q8VCQ6 CLONING ARTIFACT SEQADV 2D8C PRO A 94 UNP Q8VCQ6 CLONING ARTIFACT SEQADV 2D8C SER A 95 UNP Q8VCQ6 CLONING ARTIFACT SEQADV 2D8C SER A 96 UNP Q8VCQ6 CLONING ARTIFACT SEQADV 2D8C GLY A 97 UNP Q8VCQ6 CLONING ARTIFACT SEQRES 1 A 97 GLY SER SER GLY SER SER GLY MET LEU SER ALA ARG THR SEQRES 2 A 97 MET LYS GLU VAL VAL TYR TRP SER PRO LYS LYS VAL ALA SEQRES 3 A 97 ASP TRP LEU LEU GLU ASN ALA MET PRO GLU TYR CYS GLU SEQRES 4 A 97 PRO LEU GLU HIS PHE THR GLY GLN ASP LEU ILE ASN LEU SEQRES 5 A 97 THR GLN GLU ASP PHE LYS LYS PRO PRO LEU TYR ARG VAL SEQRES 6 A 97 SER SER ASP ASN GLY GLN ARG LEU LEU ASP MET ILE GLU SEQRES 7 A 97 THR LEU LYS MET GLU HIS HIS MET GLU ALA HIS LYS ASN SEQRES 8 A 97 SER GLY PRO SER SER GLY HELIX 1 1 LYS A 23 ASN A 32 1 10 HELIX 2 2 THR A 45 ASN A 51 1 7 HELIX 3 3 THR A 53 LYS A 59 1 7 HELIX 4 4 GLY A 70 HIS A 84 1 15 CISPEP 1 PRO A 60 PRO A 61 1 -0.09 CISPEP 2 PRO A 60 PRO A 61 2 -0.03 CISPEP 3 PRO A 60 PRO A 61 3 -0.13 CISPEP 4 PRO A 60 PRO A 61 4 -0.12 CISPEP 5 PRO A 60 PRO A 61 5 -0.14 CISPEP 6 PRO A 60 PRO A 61 6 -0.10 CISPEP 7 PRO A 60 PRO A 61 7 -0.11 CISPEP 8 PRO A 60 PRO A 61 8 -0.08 CISPEP 9 PRO A 60 PRO A 61 9 -0.09 CISPEP 10 PRO A 60 PRO A 61 10 -0.08 CISPEP 11 PRO A 60 PRO A 61 11 -0.15 CISPEP 12 PRO A 60 PRO A 61 12 -0.18 CISPEP 13 PRO A 60 PRO A 61 13 -0.15 CISPEP 14 PRO A 60 PRO A 61 14 -0.13 CISPEP 15 PRO A 60 PRO A 61 15 -0.14 CISPEP 16 PRO A 60 PRO A 61 16 -0.12 CISPEP 17 PRO A 60 PRO A 61 17 -0.11 CISPEP 18 PRO A 60 PRO A 61 18 -0.16 CISPEP 19 PRO A 60 PRO A 61 19 -0.04 CISPEP 20 PRO A 60 PRO A 61 20 -0.06 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