Header list of 1vd2.pdb file
Complete list - r 2 2 Bytes
HEADER TRANSFERASE 18-MAR-04 1VD2 TITLE SOLUTION STRUCTURE OF THE PB1 DOMAIN OF PKCIOTA COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN KINASE C, IOTA TYPE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: PB1 DOMAIN; COMPND 5 EC: 2.7.1.37; 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: PKCIOTA; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PGEX-6P-1 KEYWDS KINASE, PB1 DOMAIN, OPCA MOTIF, APKC, ZIP/P62, MEK5, MOLECULAR KEYWDS 2 RECOGNITION, TRANSFERASE EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR Y.HIRANO,S.YOSHINAGA,M.YOKOCHI,K.OGURA,Y.NODA,H.SUMIMOTO,F.INAGAKI REVDAT 3 02-MAR-22 1VD2 1 REMARK SEQADV REVDAT 2 24-FEB-09 1VD2 1 VERSN REVDAT 1 14-SEP-04 1VD2 0 JRNL AUTH Y.HIRANO,S.YOSHINAGA,K.OGURA,M.YOKOCHI,Y.NODA,H.SUMIMOTO, JRNL AUTH 2 F.INAGAKI JRNL TITL SOLUTION STRUCTURE OF ATYPICAL PROTEIN KINASE C PB1 DOMAIN JRNL TITL 2 AND ITS MODE OF INTERACTION WITH ZIP/P62 AND MEK5 JRNL REF J.BIOL.CHEM. V. 279 31883 2004 JRNL REFN ISSN 0021-9258 JRNL PMID 15143057 JRNL DOI 10.1074/JBC.M403092200 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : VNMR, ARIA REMARK 3 AUTHORS : J.P.LINGE, S.I.O'DONOGHUE, M.NILGES (ARIA) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1VD2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-MAR-04. REMARK 100 THE DEPOSITION ID IS D_1000006480. 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 : 50MM PHOSPHATE BUFFER; 150MM REMARK 210 SODIUM CHLORIDE REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1MM PKCIOTA PB1 U-15N, U-13C; REMARK 210 50MM PHOSPHATE BUFFER; 150MM REMARK 210 SODIUM CHLORIDE; 5MM REMARK 210 DITIOTHREITOL; 0.05%(W/V) SODIUM REMARK 210 AZIDE; 90% H2O, 10% D2O; 1MM REMARK 210 PKCIOTA PB1 U-15N, U-13C; 50MM REMARK 210 PHOSPHATE BUFFER; 150MM SODIUM REMARK 210 CHLORIDE; 5MM DITIOTHREITOL; REMARK 210 0.05%(W/V) SODIUM AZIDE; 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C REMARK 210 -SEPARATED_NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITYPLUS; INOVA REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE, OLIVIA, CNS REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY 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 50 89.95 57.33 REMARK 500 1 PHE A 51 -168.95 -116.62 REMARK 500 1 GLU A 54 -0.65 -165.08 REMARK 500 1 ASP A 63 -157.28 -80.93 REMARK 500 1 ASN A 87 59.04 -142.76 REMARK 500 1 LYS A 88 -87.34 61.13 REMARK 500 2 SER A 15 -49.04 -170.42 REMARK 500 2 PRO A 34 33.71 -77.94 REMARK 500 2 SER A 35 11.53 -144.27 REMARK 500 2 SER A 50 89.51 57.24 REMARK 500 2 SER A 72 38.01 -151.52 REMARK 500 2 LYS A 88 -82.28 63.69 REMARK 500 2 GLU A 91 100.71 59.23 REMARK 500 3 SER A 15 -49.90 -166.92 REMARK 500 3 SER A 50 95.51 59.39 REMARK 500 3 ASN A 53 13.18 59.37 REMARK 500 3 GLU A 54 -12.30 -141.29 REMARK 500 3 PRO A 68 95.71 -58.73 REMARK 500 3 THR A 70 109.87 -46.30 REMARK 500 3 ASN A 87 58.34 -160.75 REMARK 500 3 LYS A 88 -94.90 56.58 REMARK 500 4 SER A 15 23.25 -154.78 REMARK 500 4 ARG A 24 18.41 59.57 REMARK 500 4 SER A 35 31.90 -148.52 REMARK 500 4 SER A 50 92.86 57.71 REMARK 500 4 GLU A 54 -3.35 -161.84 REMARK 500 4 THR A 70 103.20 -48.06 REMARK 500 4 ASP A 89 -28.88 -144.42 REMARK 500 4 SER A 90 19.02 57.87 REMARK 500 4 GLU A 91 127.20 -171.18 REMARK 500 5 SER A 15 -33.53 74.03 REMARK 500 5 SER A 50 93.97 59.58 REMARK 500 5 PHE A 51 -166.16 -124.89 REMARK 500 5 GLU A 54 -2.12 -142.85 REMARK 500 5 ASP A 63 -159.55 -71.30 REMARK 500 5 PRO A 68 95.06 -56.29 REMARK 500 5 THR A 70 107.92 -53.53 REMARK 500 5 SER A 72 21.47 -149.65 REMARK 500 5 GLU A 91 117.07 -167.36 REMARK 500 6 LEU A 13 -146.65 57.51 REMARK 500 6 SER A 15 -39.73 -167.04 REMARK 500 6 SER A 50 92.78 58.93 REMARK 500 6 PHE A 51 -166.01 -123.34 REMARK 500 6 GLU A 54 -5.58 -141.70 REMARK 500 7 SER A 15 -52.50 -165.69 REMARK 500 7 PHE A 32 -167.99 -128.41 REMARK 500 7 SER A 50 82.04 54.22 REMARK 500 7 GLU A 54 5.45 -162.74 REMARK 500 7 PHE A 57 142.77 -174.82 REMARK 500 7 ASP A 63 -151.54 -81.15 REMARK 500 REMARK 500 THIS ENTRY HAS 178 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1Q1O RELATED DB: PDB REMARK 900 THE SAME DOMAIN FAMILY REMARK 900 RELATED ID: 1IP9 RELATED DB: PDB REMARK 900 THE SAME DOMAIN FAMILY REMARK 900 RELATED ID: 1IPG RELATED DB: PDB REMARK 900 THE SAME DOMAIN FAMILY REMARK 900 RELATED ID: 1OEY RELATED DB: PDB REMARK 900 THE SAME DOMAIN FAMILY DBREF 1VD2 A 16 99 UNP P41743 KPCI_HUMAN 16 99 SEQADV 1VD2 GLY A 11 UNP P41743 CLONING ARTIFACT SEQADV 1VD2 PRO A 12 UNP P41743 CLONING ARTIFACT SEQADV 1VD2 LEU A 13 UNP P41743 CLONING ARTIFACT SEQADV 1VD2 GLY A 14 UNP P41743 CLONING ARTIFACT SEQADV 1VD2 SER A 15 UNP P41743 CLONING ARTIFACT SEQRES 1 A 89 GLY PRO LEU GLY SER GLN VAL ARG VAL LYS ALA TYR TYR SEQRES 2 A 89 ARG GLY ASP ILE MET ILE THR HIS PHE GLU PRO SER ILE SEQRES 3 A 89 SER PHE GLU GLY LEU CYS ASN GLU VAL ARG ASP MET CYS SEQRES 4 A 89 SER PHE ASP ASN GLU GLN LEU PHE THR MET LYS TRP ILE SEQRES 5 A 89 ASP GLU GLU GLY ASP PRO CYS THR VAL SER SER GLN LEU SEQRES 6 A 89 GLU LEU GLU GLU ALA PHE ARG LEU TYR GLU LEU ASN LYS SEQRES 7 A 89 ASP SER GLU LEU LEU ILE HIS VAL PHE PRO CYS HELIX 1 1 SER A 37 SER A 50 1 14 HELIX 2 2 SER A 73 ASN A 87 1 15 SHEET 1 A 5 ILE A 27 PHE A 32 0 SHEET 2 A 5 VAL A 17 TYR A 22 -1 N VAL A 19 O THR A 30 SHEET 3 A 5 LEU A 92 PRO A 98 1 O ILE A 94 N LYS A 20 SHEET 4 A 5 PHE A 57 TRP A 61 -1 N THR A 58 O PHE A 97 SHEET 5 A 5 CYS A 69 THR A 70 -1 O CYS A 69 N TRP A 61 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