Header list of 1ih9.pdb file
Complete list - 25 20 Bytes
HEADER ANTIBIOTIC 19-APR-01 1IH9
TITLE NMR STRUCTURE OF ZERVAMICIN IIB (PEPTAIBOL ANTIBIOTIC) BOUND TO DPC
TITLE 2 MICELLES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: ZERVAMICIN IIB;
COMPND 3 CHAIN: A
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: EMERICELLOPSIS SALMOSYNNEMATA;
SOURCE 3 ORGANISM_TAXID: 118885;
SOURCE 4 STRAIN: 336 IMI 58330
KEYWDS ZREVAMICIN, PEPTAIBOL ANTIBACTERIAL, ANTIFUNGAL, ANTIBIOTIC BENT
KEYWDS 2 HELIX, ANTIBIOTIC
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR Z.O.SHENKAREV,T.A.BALASHEVA,R.G.EFREMOV,Z.A.YAKIMENKO,
AUTHOR 2 T.V.OVCHINNIKOVA,J.RAAP,A.S.ARSENIEV
REVDAT 5 27-JUL-11 1IH9 1 REMARK
REVDAT 4 13-JUL-11 1IH9 1 VERSN
REVDAT 3 24-FEB-09 1IH9 1 VERSN
REVDAT 2 01-APR-03 1IH9 1 JRNL
REVDAT 1 13-FEB-02 1IH9 0
JRNL AUTH Z.O.SHENKAREV,T.A.BALASHOVA,R.G.EFREMOV,Z.A.YAKIMENKO,
JRNL AUTH 2 T.V.OVCHINNIKOVA,J.RAAP,A.S.ARSENIEV
JRNL TITL SPATIAL STRUCTURE OF ZERVAMICIN IIB BOUND TO DPC MICELLES:
JRNL TITL 2 IMPLICATIONS FOR VOLTAGE-GATING.
JRNL REF BIOPHYS.J. V. 82 762 2002
JRNL REFN ISSN 0006-3495
JRNL PMID 11806918
JRNL DOI 10.1016/S0006-3495(02)75438-6
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : DISCOVER 1.2
REMARK 3 AUTHORS : BIOSYM TECHNOLOGIES
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: 536 NOESY PEAKS, 174 UPPER CONSTRAINTS
REMARK 3 29 ADDITIONAL LOWER CONSTRAINTS 60 ADDITIONAL CONSTRAINTS FOR
REMARK 3 HYDROGEN BONDS 11 ANGLE CONSTRAINTS
REMARK 4
REMARK 4 1IH9 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 23-APR-01.
REMARK 100 THE RCSB ID CODE IS RCSB013265.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 6.8
REMARK 210 IONIC STRENGTH : 0
REMARK 210 PRESSURE : 1ATM ATM
REMARK 210 SAMPLE CONTENTS : 1.8 MM ZRV-IIB; 70MM D-DPC; 90%
REMARK 210 H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY; TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : UNITY
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : VNMR 5.3, XEASY 2.1, DYANA 1.5
REMARK 210 METHOD USED : SIMULATED ANNELING. ENERGY
REMARK 210 MINIMISATION.
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D
REMARK 210 HOMONUCLEAR TECHNIQUES.
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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC
REMARK 350 SOFTWARE USED: PQS
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 ZERVAMICIN IIB IS LINEAR PEPTIDE, A MEMBER OF THE PEPTAIBOL
REMARK 400 FAMILY OF MEMBRANE CHANNEL FORMING PEPTIDES.
REMARK 400 HERE, ZERVAMICIN IS REPRESENTED BY THE SEQUENCE (SEQRES)
REMARK 400
REMARK 400 GROUP: 1
REMARK 400 NAME: ZERVAMICIN IIB
REMARK 400 CHAIN: A
REMARK 400 COMPONENT_1: PEPTIDE LIKE SEQUENCE RESIDUES 0 TO 16
REMARK 400 DESCRIPTION: ZERVAMICIN IS A HEXADECAMERIC HELICAL PEPTIDE.
REMARK 400 THE N-TERM IS ACETYLATED (RESIDUE 0)
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS
REMARK 500
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH
REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED
REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.
REMARK 500 MODEL OMEGA
REMARK 500 GLN A 11 AIB A 12 1 149.79
REMARK 500 GLN A 11 AIB A 12 6 149.34
REMARK 500 GLN A 11 AIB A 12 9 149.48
REMARK 500 GLN A 11 AIB A 12 10 149.48
REMARK 500 GLN A 11 AIB A 12 11 149.46
REMARK 500 GLN A 11 AIB A 12 12 149.73
REMARK 500 GLN A 11 AIB A 12 13 149.86
REMARK 500 GLN A 11 AIB A 12 14 149.72
REMARK 500 GLN A 11 AIB A 12 15 149.55
REMARK 500 GLN A 11 AIB A 12 19 149.24
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1M24 RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE PEPTAIBOL TRICHOTOXIN_A50E
REMARK 900 RELATED ID: 1R9U RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF THE PEPTAIBOL ZERVAMICIN IIB IN
REMARK 900 METHANOL
REMARK 900 RELATED ID: 1DLZ RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF THE PEPTIABOL ZERVAMICIN IIB
REMARK 900 RELATED ID: 1GQ0 RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF THE PEPTAIBOL ANTIAMOEBIN I
REMARK 900 RELATED ID: 1JOH RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE PEPTAIBOL ANTIAMOEBIN I
REMARK 900 RELATED ID: 1AMT RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE PEPTAIBOL ALAMETHICIN
REMARK 900 RELATED ID: 1EE7 RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF THE PEPTAIBOL CHRYSOSPERMIN C BOUND
REMARK 900 TO DPC MICELLES
REMARK 900 RELATED ID: 1OB7 RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE PEPTAIBOL CEPHAIBOL C
REMARK 900 RELATED ID: 1OB6 RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE PEPTAIBOL CEPHAIBOL B
REMARK 900 RELATED ID: 1OB4 RELATED DB: PDB
REMARK 900 CRYSTAL STRUCTURE OF THE PEPTAIBOL CEPHAIBOL A
DBREF 1IH9 A 0 16 NOR NOR01092 NOR01092 0 16
SEQRES 1 A 17 ACE TRP ILE GLN DIV ILE THR AIB LEU AIB HYP GLN AIB
SEQRES 2 A 17 HYP AIB PRO PHL
HET ACE A 0 6
HET DIV A 4 16
HET AIB A 7 13
HET AIB A 9 13
HET HYP A 10 15
HET AIB A 12 13
HET HYP A 13 15
HET AIB A 14 13
HET PHL A 16 23
HETNAM ACE ACETYL GROUP
HETNAM DIV D-ISOVALINE
HETNAM AIB ALPHA-AMINOISOBUTYRIC ACID
HETNAM HYP 4-HYDROXYPROLINE
HETNAM PHL L-PHENYLALANINOL
HETSYN HYP HYDROXYPROLINE
FORMUL 1 ACE C2 H4 O
FORMUL 1 DIV C5 H11 N O2
FORMUL 1 AIB 4(C4 H9 N O2)
FORMUL 1 HYP 2(C5 H9 N O3)
FORMUL 1 PHL C9 H13 N O
HELIX 1 1 TRP A 1 AIB A 14 1 14
LINK C ACE A 0 N TRP A 1 1555 1555 1.34
LINK C GLN A 3 N DIV A 4 1555 1555 1.36
LINK C DIV A 4 N ILE A 5 1555 1555 1.36
LINK C THR A 6 N AIB A 7 1555 1555 1.35
LINK C AIB A 7 N LEU A 8 1555 1555 1.35
LINK C LEU A 8 N AIB A 9 1555 1555 1.36
LINK C AIB A 9 N HYP A 10 1555 1555 1.38
LINK C HYP A 10 N GLN A 11 1555 1555 1.35
LINK C GLN A 11 N AIB A 12 1555 1555 1.36
LINK C AIB A 12 N HYP A 13 1555 1555 1.38
LINK C HYP A 13 N AIB A 14 1555 1555 1.36
LINK C AIB A 14 N PRO A 15 1555 1555 1.38
LINK C PRO A 15 N PHL A 16 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