Header list of 1t52.pdb file
Complete list - 10 20 Bytes
HEADER ANTIBIOTIC 01-MAY-04 1T52
TITLE ANTIBIOTIC ACTIVITY AND STRUCTURAL ANALYSIS OF A SCORPION-DERIVED
TITLE 2 ANTIMICROBIAL PEPTIDE ISCT AND ITS ANALOGS
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CYTOTOXIC LINEAR PEPTIDE ISCT;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: ISCT;
COMPND 5 ENGINEERED: YES;
COMPND 6 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: OPISTHACANTHUS MADAGASCARIENSIS;
SOURCE 3 ORGANISM_TAXID: 167108;
SOURCE 4 TISSUE: VENOM;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS COIL-HELIX, ANTIBIOTIC
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.LEE,S.Y.SHIN,K.KIM,S.S.LIM,K.S.HAHM,Y.KIM
REVDAT 3 10-NOV-21 1T52 1 REMARK SEQADV LINK
REVDAT 2 24-FEB-09 1T52 1 VERSN
REVDAT 1 19-OCT-04 1T52 0
JRNL AUTH K.LEE,S.Y.SHIN,K.KIM,S.S.LIM,K.S.HAHM,Y.KIM
JRNL TITL ANTIBIOTIC ACTIVITY AND STRUCTURAL ANALYSIS OF THE
JRNL TITL 2 SCORPION-DERIVED ANTIMICROBIAL PEPTIDE ISCT AND ITS ANALOGS
JRNL REF BIOCHEM.BIOPHYS.RES.COMMUN. V. 323 712 2004
JRNL REFN ISSN 0006-291X
JRNL PMID 15369808
JRNL DOI 10.1016/J.BBRC.2004.08.144
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : FELIX 2000.1, DGII 2000.1
REMARK 3 AUTHORS : HAVEL (DGII)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1T52 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 06-MAY-04.
REMARK 100 THE DEPOSITION ID IS D_1000022321.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 308
REMARK 210 PH : 4.0
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 1.0MM PEPTIDE; 200MM SDS-D25
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; DQF-COSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 400 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR 3.851
REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED
REMARK 210 ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
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 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 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NH2 A 14
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1T51 RELATED DB: PDB
REMARK 900 THE SAME PROTEIN OF WILD TYPE
REMARK 900 RELATED ID: 1T54 RELATED DB: PDB
REMARK 900 THE SAME PROTEIN WITH W6A MUTANT
REMARK 900 RELATED ID: 1T55 RELATED DB: PDB
REMARK 900 THE SAME PROTEIN WITH E7K, G8P AND S11K MUTANT
DBREF 1T52 A 1 13 UNP Q8MMJ7 TXT1_OPIMA 24 36
SEQADV 1T52 LYS A 7 UNP Q8MMJ7 GLU 30 ENGINEERED MUTATION
SEQRES 1 A 14 ILE LEU GLY LYS ILE TRP LYS GLY ILE LYS SER LEU PHE
SEQRES 2 A 14 NH2
HET NH2 A 14 3
HETNAM NH2 AMINO GROUP
FORMUL 1 NH2 H2 N
HELIX 1 1 ILE A 1 PHE A 13 1 13
LINK C PHE A 13 N NH2 A 14 1555 1555 1.31
SITE 1 AC1 2 LEU A 12 PHE A 13
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 - 10 20 Bytes