Header list of 1lcm.pdb file
Complete list - 20 201 Bytes
HEADER TOXIN, HYDROLASE INHIBITOR 30-DEC-95 1LCM
TITLE NMR MINIMIZED AVERAGE STRUCTURE OF MICROCYSTIN-LR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: MICROCYSTIN LR;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: MICROCYSTIN-LR
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MICROCYSTIS AERUGINOSA;
SOURCE 3 ORGANISM_TAXID: 1126;
SOURCE 4 STRAIN: FROM A NATURAL BLOOM IN LAKE AKERSVATN, NORWAY
KEYWDS TOXIN, HYDROLASE INHIBITOR
EXPDTA SOLUTION NMR
AUTHOR G.TROGEN,J.ZDUNEK
REVDAT 4 06-FEB-13 1LCM 1 LINK
REVDAT 3 13-JUL-11 1LCM 1 VERSN
REVDAT 2 24-FEB-09 1LCM 1 VERSN
REVDAT 1 07-DEC-96 1LCM 0
JRNL AUTH G.B.TROGEN,A.ANNILA,J.ERIKSSON,M.KONTTELI,J.MERILUOTO,
JRNL AUTH 2 I.SETHSON,J.ZDUNEK,U.EDLUND
JRNL TITL CONFORMATIONAL STUDIES OF MICROCYSTIN-LR USING NMR
JRNL TITL 2 SPECTROSCOPY AND MOLECULAR DYNAMICS CALCULATIONS.
JRNL REF BIOCHEMISTRY V. 35 3197 1996
JRNL REFN ISSN 0006-2960
JRNL PMID 8605154
JRNL DOI 10.1021/BI952368S
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH J.R.BAGU,F.D.SONNICHSEN,D.WILLIAMS,R.J.ANDERSEN,B.D.SYKES,
REMARK 1 AUTH 2 C.F.HOLMES
REMARK 1 TITL COMPARISON OF THE SOLUTION STRUCTURES OF MICROCYSTIN-LR AND
REMARK 1 TITL 2 MOTUPORIN
REMARK 1 REF NAT.STRUCT.BIOL. V. 2 114 1995
REMARK 1 REFN ISSN 1072-8368
REMARK 1 REFERENCE 2
REMARK 1 AUTH J.GOLDBERG,H.B.HUANG,Y.G.KWON,P.GREENGARD,A.C.NAIRN,
REMARK 1 AUTH 2 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 : X-PLOR 3.0
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1LCM COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
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) : NULL
REMARK 210 PH : NULL
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 : MINIMIZED AVERAGE
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 MICROCYSTIN LR IS OLIGOPEPTIDE, A MEMBER OF TOXIN CLASS.
REMARK 400
REMARK 400 GROUP: 1
REMARK 400 NAME: MICROCYSTIN LR
REMARK 400 CHAIN: A
REMARK 400 COMPONENT_1: PEPTIDE LIKE POLYMER
REMARK 400 DESCRIPTION: NULL
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 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 N DAL A 1 O DAM A 7 2.19
REMARK 500
REMARK 500 REMARK: NULL
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DAL A 1
DBREF 1LCM 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 1.30
LINK C DAL A 1 N LEU A 2 1555 1555 1.31
LINK CG ACB A 3 N ARG A 4 1555 1555 1.30
LINK CD FGA A 6 N DAM A 7 1555 1555 1.31
LINK C ARG A 4 N1 1ZN A 5 1555 1555 1.30
LINK C20 1ZN A 5 N FGA A 6 1555 1555 1.30
LINK C LEU A 2 N ACB A 3 1555 1555 1.30
SITE 1 AC1 3 LEU A 2 FGA A 6 DAM A 7
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 - 20 201 Bytes