Structure of PDB 4pks Chain A Binding Site BS01

Receptor Information
>4pks Chain A (length=486) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RYEKWEKIKQHYQHWSDSLSEEGRGLLKKLQIPIEPKKDDIIHSLSQEEK
ELLKRIQIDSSDFLSTEEKEFLKKLQIDIEKEKEFLKKLKLDIQPYDINQ
RLQDTGGLIDSPSINLDVRKQYKRDIQNIDALLHQSIGSTLYNKIYLYEN
MNINNLTATLGADLVDSTDNTKINRGIFNEFKKNFKYSISSNYMIVDINE
RPALDNERLKWRIQLSPDTRAGYLENGKLILQRNIGLEIKDVQIIKQSEK
EYIRIDAKVVPKSKIDTKIQEAQLNINQEWNKALGLPKYTKLITFNVHNR
YASNIVESAYLILNEWKNNIQSDLIKKVTNYLVDGNGRFVFTDITLPNIA
EQYTHQDEIYEQVHSKGLYVPESRSILLHGPSKGVELRNDSEGFIHEFGH
AVDDYAGYLLDKNQSDLVTNSKKFIDIFKEEGSNLTSYGRTNEAEFFAEA
FRLMHSTDHAERLKVQKNAPKTFQFINDQIKFIINS
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 chain4pks Chain A Residue 801 [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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PDB4pks Anthrax toxin lethal factor domain 3 is highly mobile and responsive to ligand binding.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H686 H690 E735
Binding residue
(residue number reindexed from 1)		H396 H400 E445
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H686 E687 H690 Y728 E735
Catalytic site (residue number reindexed from 1) H396 E397 H400 Y438 E445
Enzyme Commision number 3.4.24.83: anthrax lethal factor endopeptidase.
Gene Ontology
Molecular Function
GO:0008237 metallopeptidase activity

View graph for
Molecular Function
External links
PDB RCSB:4pks, PDBe:4pks, PDBj:4pks
PDBsum4pks
PubMed25372673
UniProtP15917|LEF_BACAN Lethal factor (Gene Name=lef)

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