Structure of PDB 5ah1 Chain A Binding Site BS01

Receptor Information

>5ah1 Chain A (length=427) Species: 1491 (Clostridium botulinum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

IKIPTLEDIDNLIDSAEEVKSEEDINKMPPLKFPVEFPEVNTRSIIGGNN
YPIVLVHGFMGFGRDELLGYKYWGGVVDLQEKLNASGHETYTATVGPVSS
NWDRACELYAYIVGGTVDYGEAHAKKFKHNRYGRTYPGIYKNISNENKIH
LIGHSMGGQTIRTLTQLLSEGSEEEINCGQENISPLFEGGKHWIHSVSTI
STPNDGTTLSDLMPAKDLISYTFGVLGTITGKNKLFSSIYDLKLDQWGLK
KQNGESQRDYIERVLDSNIWNSTKDIATYDLSTEGAQELNTWVKAQPDVY
YFSWTTQATKESILTGHSVAQIGPMNPIFYPTANLMGRYSRNQKDLPIID
KKWFPNDGVVNCISQDGPKLGSNDVIEQYNGGVKIGQWNAMPRIINTDHM
DIVGTFGNVKDWYMDYASFLSNLSRAL

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

5ah1 Chain A Residue 1455 [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	5ah1 Hydrolysis of Synthetic Polyesters by Clostridium Botulinum Esterases.
Resolution	1.2 Å
Binding residue (original residue number in PDB)	D130 H150 H156 D302 L454
Binding residue (residue number reindexed from 1)	D103 H123 H129 D275 L427
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.1.3: triacylglycerol lipase.

Gene Ontology

	Molecular Function
GO:0046872	metal ion binding

	Biological Process
GO:0016042	lipid catabolic process

	Cellular Component
GO:0005576	extracellular region

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:5ah1, PDBe:5ah1, PDBj:5ah1
PDBsum	5ah1
PubMed	26524601
UniProt	A5I055

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