Structure of PDB 1zxv Chain A Binding Site BS01

Receptor Information
>1zxv Chain A (length=728) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERNKTQEEHLKEIMKHIVKIEVKGEEAVKKEAAEKLLEKVPSDVLEMYKA
IGGKIYIVDGDITKHISLEALSEDKKKIKDIYGKDALLHEHYVYAKEGYE
PVLVIQSSEDYVENTEKALNVYYEIGKILSRDILSKINQPYQKFLDVLNT
IKNASDSDGQDLLFTNQLKEHPTDFSVEFLEQNSNEVQEVFAKAFAYYIE
PQHRDVLQLYAPEAFNYMDKFNEQEINLSLEELKDQRMLSRYEKWEKIKQ
HYQHWSDSLSEEGRGLLKKLQIPIEPKKDDIIHSLSQEEKELLKRIQIDS
SDFLSTEEKEFLKKLQIDILSEKEKEFLKKLKLDIQPYDINQRLQDTGGL
IDSPSINLDVRKQYKRDIQNIDALLHQSIGSTLYNKIYLYENMNINNLTA
TLGADLVDSTDNTKINRGIFNEFKKNFKYSISSNYMIVDINERPALDNER
LKWRIQLSPDTRAGYLENGKLILQRNIGLEIKDVQIIKQSEKEYIRIDAK
VVPKSKIDTKIQEAQLNINQEWNKALGLPKYTKLITFNVHNRYASNIVES
AYLILNEWKNNIQSDLIKKVTNYLVDGNGRFVFTDITLPNIAEQYTHQDE
IYEQVHSKGLYVPESRSILLHGPSKGVELRNDSEGFIHEFGHAVDDYAGY
LLDKNQSDLVTNSKKFIDIFKEEGSNLTSYGRTNEAEFFAEAFRLMHSTD
HAERLKVQKNAPKTFQFINDQIKFIINS
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1zxv Chain A Residue 9001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1zxv Efficient synthetic inhibitors of anthrax lethal factor.
Resolution2.67 Å
Binding residue
(original residue number in PDB)		H686 H690 E735
Binding residue
(residue number reindexed from 1)		H638 H642 E687
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H686 E687 H690 Y728 E735
Catalytic site (residue number reindexed from 1) H638 E639 H642 Y680 E687
Enzyme Commision number 3.4.24.83: anthrax lethal factor endopeptidase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008237 metallopeptidase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1zxv, PDBe:1zxv, PDBj:1zxv
PDBsum1zxv
PubMed15983377
UniProtQ52NH3

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