Structure of PDB 1yqy Chain A Binding Site BS01

Receptor Information

>1yqy Chain A (length=514) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LSRYEKWEKIKQHYQHWSDSLSEEGRGLLKKLQIPIEPKKDDIIHSLSQE
EKELLKRIQIDSSDFLSTEEKEFLKKLQIDIRDSLSEEEKELLNRIQVDS
SNPLSEKEKEFLKKLKLDIQPYDINQRLQDTGGLIDSPSINLDVRKQYKR
DIQNIDALLHQSIGSTLYNKIYLYENMNINNLTATLGADLVDSTDNTKIN
RGIFNEFKKNFKYSISSNYMIVDINERPALDNERLKWRIQLSPDTRAGYL
ENGKLILQRNIGLEIKDVQIIKQSEKEYIRIDAKVVPKSKIDTKIQEAQL
NINQEWNKALGLPKYTKLITFNVHNRYASNIVESAYLILNEWKNNIQSDL
IKKVTNYLVDGNGRFVFTDITLPNIAEQYTHQDEIYEQVHSKGLYVPESR
SILLHGPSKGVELRNDSEGFIHEFGHAVDDYAGYLLDKNQSDLVTNSKKF
IDIFKEEGSNLTSYGRTNEAEFFAEAFRLMHSTDHAERLKVQKNAPKTFQ
FINDQIKFIINSLV

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

1yqy Chain A Residue 781 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1yqy Anthrax lethal factor inhibition.
Resolution	2.3 Å
Binding residue (original residue number in PDB)	H686 H690 E735
Binding residue (residue number reindexed from 1)	H422 H426 E471
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H686 E687 H690 Y728 E735
Catalytic site (residue number reindexed from 1)	H422 E423 H426 Y464 E471
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:1yqy, PDBe:1yqy, PDBj:1yqy
PDBsum	1yqy
PubMed	15911756
UniProt	P15917\|LEF_BACAN Lethal factor (Gene Name=lef)

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