Header list of 1eva.pdb file
Complete list - 25 20 Bytes
HEADER HYDROLASE INHIBITOR, TOXIN 14-FEB-96 1EVA TITLE NMR STRUCTURE OF CYANOBACTERIAL TOXIN, PHOSPHATASE-1/-2A INHIBITOR COMPND MOL_ID: 1; COMPND 2 MOLECULE: MICROCYSTIN-LR; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MICROCYSTIS; SOURCE 3 ORGANISM_TAXID: 1125 KEYWDS TOXIN, HYDROLASE INHIBITOR EXPDTA SOLUTION NMR NUMMDL 46 AUTHOR J.R.BAGU,B.D.SYKES REVDAT 3 13-JUL-11 1EVA 1 VERSN REVDAT 2 24-FEB-09 1EVA 1 VERSN REVDAT 1 08-NOV-96 1EVA 0 JRNL AUTH J.R.BAGU,F.D.SONNICHSEN,D.WILLIAMS,R.J.ANDERSEN,B.D.SYKES, JRNL AUTH 2 C.F.HOLMES JRNL TITL COMPARISON OF THE SOLUTION STRUCTURES OF MICROCYSTIN-LR AND JRNL TITL 2 MOTUPORIN. JRNL REF NAT.STRUCT.BIOL. V. 2 114 1995 JRNL REFN ISSN 1072-8368 JRNL PMID 7749913 JRNL DOI 10.1038/NSB0295-114 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.GOLDBERG,H.HUANG,Y.KWON,P.GREENGARD,A.C.NAIRN,J.KURIYAN REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE OF THE CATALYTIC SUBUNIT OF REMARK 1 TITL 2 PROTEIN SERINE/THREONINE PHOSPHATASE-1 REMARK 1 REF NATURE V. 376 745 1995 REMARK 1 REFN ISSN 0028-0836 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DGII REMARK 3 AUTHORS : HAVEL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1EVA COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 278 REMARK 210 PH : 7 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 46 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (RES=RESIDUE NAME; REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 470 MODELS 1-46 REMARK 470 RES CSSEQI ATOMS REMARK 470 ACB A 3 OD1 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 CG ACB A 3 N ARG A 4 1.35 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 1 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 2 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 3 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 4 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 5 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 6 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 7 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 8 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 9 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 10 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 11 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 12 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 13 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 14 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 15 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 16 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 17 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 18 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 19 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 20 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 21 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 22 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 23 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 24 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 25 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 26 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 27 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 28 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 29 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 30 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 31 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 32 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 33 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 34 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 35 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 36 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 37 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 38 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 39 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 40 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 41 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 42 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 43 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 44 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 45 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 46 ARG A 4 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1EVB RELATED DB: PDB DBREF 1EVA A 1 7 NOR NOR00109 NOR00109 1 7 SEQRES 1 A 7 DAL LEU ACB ARG 1ZN FGA DAM HET DAL A 1 10 HET ACB A 3 15 HET 1ZN A 5 50 HET FGA A 6 14 HET DAM A 7 11 HETNAM DAL D-ALANINE HETNAM ACB 3-METHYL-BETA-D-ASPARTIC ACID HETNAM 1ZN (2S,3S,4E,6E,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL- HETNAM 2 1ZN 10-PHENYLDECA-4,6-DIENOIC ACID HETNAM FGA GAMMA-D-GLUTAMIC ACID HETNAM DAM N-METHYL-ALPHA-BETA-DEHYDROALANINE HETSYN ACB (3S)-3-METHYL-D-ASPARTIC ACID; D-METHYL ASPARTIC ACID HETSYN FGA D-GLUTAMIC ACID FORMUL 1 DAL C3 H7 N O2 FORMUL 1 ACB C5 H9 N O4 FORMUL 1 1ZN C20 H29 N O3 FORMUL 1 FGA C5 H9 N O4 FORMUL 1 DAM C4 H7 N O2 LINK N DAL A 1 C DAM A 7 1555 1555 1.35 LINK C DAL A 1 N LEU A 2 1555 1555 1.35 LINK C ACB A 3 N ARG A 4 1555 1555 3.82 LINK CD FGA A 6 N DAM A 7 1555 1555 1.37 LINK C ARG A 4 N1 1ZN A 5 1555 1555 1.35 LINK C20 1ZN A 5 N FGA A 6 1555 1555 1.35 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 - 25 20 Bytes