Structure of PDB 4l6t Chain A Binding Site BS01

Receptor Information
>4l6t Chain A (length=249) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AERTPNEEKKVIGYADHNGQLYNITSIYGPVINYTVPDENITINTINRTQ
LTINYSDYVREAFNEWAPSGIRVQQVSSRVVSFSTTNYADNSLGSTIFDP
SGNSRTRIDIGSFNRIVMNNFEKLKSRGAIPANMSPEEYIKLKLRITIKH
EIGHILGLLHNNEGGSYFPHGVGLEVARCRLLNQAPSIMLNGSNYDYIDR
LSHYLERPVTETDIGPSRNDIEGVRVMRRGGSGNSFTNRFSCLGLGLAF
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 chain4l6t Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4l6t EcxAB Is a Founding Member of a New Family of Metalloprotease AB5 Toxins with a Hybrid Cholera-like B Subunit.
Resolution1.859 Å
Binding residue
(original residue number in PDB)		H179 H183 H189
Binding residue
(residue number reindexed from 1)		H150 H154 H160
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008237 metallopeptidase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4l6t, PDBe:4l6t, PDBj:4l6t
PDBsum4l6t
PubMed24095060
UniProtQ8GAV4

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