Structure of PDB 4x5s Chain B Binding Site BS01

Receptor Information

>4x5s Chain B (length=223) Species: 309806 (Sulfurihydrogenibium azorense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HWSYEGENGPENWAKLNPEYFWCNLKNQSPVDISDNYKVHAKLEKLHINY
NKAVNPEIVNNGHTIQVNVLEDFKLNIKGKEYHLKQFHFHAPSEHTVNGK
YYPLEMHLVHKDKDGNIAVIGVFFKEGKANPELDKVFKNALKEEGSKVFD
GSININALLPPVKNYYTYSGSLTTPPCTEGVLWIVLKQPITASKQQIELF
KSIMKHNNNRPTQPINSRYILES

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

4x5s Chain B Residue 301 [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	4x5s Crystal structure of the most catalytically effective carbonic anhydrase enzyme known, SazCA from the thermophilic bacterium Sulfurihydrogenibium azorense.
Resolution	1.95 Å
Binding residue (original residue number in PDB)	H89 H91 H108
Binding residue (residue number reindexed from 1)	H88 H90 H107
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	H64 H89 H91 E95 H108 T174
Catalytic site (residue number reindexed from 1)	H63 H88 H90 E94 H107 T173
Enzyme Commision number	4.2.1.1: carbonic anhydrase.

Gene Ontology

	Molecular Function
GO:0004089	carbonate dehydratase activity
GO:0008270	zinc ion binding
GO:0016829	lyase activity
GO:0016836	hydro-lyase activity
GO:0046872	metal ion binding

	Biological Process
GO:0006730	one-carbon metabolic process

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Biological Process

External links

PDB	RCSB:4x5s, PDBe:4x5s, PDBj:4x5s
PDBsum	4x5s
PubMed	25817590
UniProt	C1DTU5

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