Header list of 1evc.pdb file
Complete list - 24 20 Bytes
HEADER HYDROLASE INHIBITOR, TOXIN 14-FEB-96 1EVC
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
NUMMDL 48
AUTHOR J.R.BAGU,B.D.SYKES
REVDAT 5 24-JUN-20 1EVC 1 REMARK LINK
REVDAT 4 27-JUL-11 1EVC 1 DBREF
REVDAT 3 13-JUL-11 1EVC 1 VERSN
REVDAT 2 24-FEB-09 1EVC 1 VERSN
REVDAT 1 08-NOV-96 1EVC 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 1EVC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000173181.
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 : 48
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 400
REMARK 400 COMPOUND
REMARK 400
REMARK 400 THE MOTUPORIN IS CYCLIC PEPTIDE, A MEMBER OF TOXIN CLASS.
REMARK 400
REMARK 400 GROUP: 1
REMARK 400 NAME: MOTUPORIN
REMARK 400 CHAIN: A
REMARK 400 COMPONENT_1: PEPTIDE LIKE POLYMER
REMARK 400 DESCRIPTION: NULL
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 N ACB A 1 C MDH A 5 1.35
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1EVD RELATED DB: PDB
DBREF 1EVC 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 CD FGA A 4 N MDH A 5 1555 1555 1.38
LINK C VAL A 2 N1 1ZN A 3 1555 1555 1.35
LINK C20 1ZN A 3 N FGA A 4 1555 1555 1.35
LINK CG ACB A 1 N VAL A 2 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 - 24 20 Bytes