Header list of 1evd.pdb file
Complete list - 25 201 Bytes
HEADER HYDROLASE INHIBITOR, TOXIN 14-FEB-96 1EVD
TITLE NMR STRUCTURE OF CYANOBACTERIAL TOXIN, PHOSPHATASE-1/-2A INHIBITOR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: MOTUPORIN;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: NODULARIN-V
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: UNIDENTIFIED;
SOURCE 3 ORGANISM_TAXID: 32644;
SOURCE 4 OTHER_DETAILS: ISOLATED FROM MARINE SPONGE
KEYWDS CYANOBACTERIAL TOXIN, PHOSPHATASE-1/-2A INHIBITOR, HYDROLASE
KEYWDS 2 INHIBITOR, TOXIN
EXPDTA SOLUTION NMR
AUTHOR J.R.BAGU,B.D.SYKES
REVDAT 3 13-JUL-11 1EVD 1 VERSN
REVDAT 2 24-FEB-09 1EVD 1 VERSN
REVDAT 1 08-NOV-96 1EVD 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 C.F.B.HOLMES,M.P.BOLAND
REMARK 1 TITL INHIBITORS OF PROTEIN PHOSPHATASE-1 AND-2A; TWO OF MAJOR
REMARK 1 TITL 2 SERINE/THREONINE PROTEIN PHOSPHATASES INVOLVED IN CELLULAR
REMARK 1 TITL 3 REGULATION
REMARK 1 REF CURR.OPIN.STRUCT.BIOL. V. 3 934 1993
REMARK 1 REFN ISSN 0959-440X
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 1EVD 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 : 1
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 RES CSSEQI ATOMS
REMARK 470 ACB A 1 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 1 N VAL A 2 1.32
REMARK 500 N ACB A 1 C MDH A 5 1.32
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 VAL A 2 CG1 - CB - CG2 ANGL. DEV. = -9.6 DEGREES
REMARK 500 VAL A 2 CA - CB - CG2 ANGL. DEV. = 9.4 DEGREES
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1EVC RELATED DB: PDB
DBREF 1EVD A 1 5 NOR NOR00825 NOR00825 1 5
SEQRES 1 A 5 ACB VAL 1ZN FGA MDH
HET ACB A 1 15
HET 1ZN A 3 50
HET FGA A 4 14
HET MDH A 5 14
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 MDH N-METHYLDEHYDROBUTYRINE
HETSYN ACB (3S)-3-METHYL-D-ASPARTIC ACID; D-METHYL ASPARTIC ACID
HETSYN FGA D-GLUTAMIC ACID
FORMUL 1 ACB C5 H9 N O4
FORMUL 1 1ZN C20 H29 N O3
FORMUL 1 FGA C5 H9 N O4
FORMUL 1 MDH C5 H9 N O2
LINK C ACB A 1 N VAL A 2 1555 1555 3.96
LINK CD FGA A 4 N MDH A 5 1555 1555 1.32
LINK C VAL A 2 N1 1ZN A 3 1555 1555 1.30
LINK C20 1ZN A 3 N FGA A 4 1555 1555 1.30
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
Complete list - 25 201 Bytes