Structure of PDB 1koq Chain A Binding Site BS01

Receptor Information

>1koq Chain A (length=222) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

THWGYTGHDSPESWGNLSEEFRLCSTGKNQSPVNITETVSGKLPAIKVNY
KPSMVDVENNGHTIQVNYPEGGNTLTVNGRTYTLKQFHFHVPSENQIKGR
TFPMEAHFVHLDENKQPLVLAVLYEAGKTNGRLSSIWNVMPMTAGKVKLN
QPFDASTLLPKRLKYYRFAGSLTTPPCTEGVSWLVLKTYDHIDQAQAEKF
TRAVGSENNRPVQPLNARVVIE

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

1koq 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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Structure summary

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PDB	1koq Crystal structure of carbonic anhydrase from Neisseria gonorrhoeae and its complex with the inhibitor acetazolamide.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	H92 H94 H111
Binding residue (residue number reindexed from 1)	H88 H90 H107
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	H66 H92 H94 E98 H111 T177
Catalytic site (residue number reindexed from 1)	H62 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:0046872	metal ion binding

	Cellular Component
GO:0042597	periplasmic space

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Molecular Function

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Cellular Component

External links

PDB	RCSB:1koq, PDBe:1koq, PDBj:1koq
PDBsum	1koq
PubMed	9761692
UniProt	Q50940\|CAH_NEIGO Carbonic anhydrase (Gene Name=cah)

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