Structure of PDB 1kop Chain A Binding Site BS02

Receptor Information

>1kop Chain A (length=223) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

HTHWGYTGHDSPESWGNLSEEFRLCSTGKNQSPVNITETVSGKLPAIKVN
YKPSMVDVENNGHTIQVNYPEGGNTLTVNGRTYTLKQFHFHVPSENQIKG
RTFPMEAHFVHLDENKQPLVLAVLYEAGKTNGRLSSIWNVMPMTAGKVKL
NQPFDASTLLPKRLKYYRFAGSLTTPPCTEGVSWLVLKTYDHIDQAQAEK
FTRAVGSENNRPVQPLNARVVIE

Ligand information

Ligand ID

AZI

InChI

InChI=1S/N3/c1-3-2/q-1

InChIKey

IVRMZWNICZWHMI-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[N-]=[N+]=[N-]

Formula

Name

AZIDE ION

PDB chain

1kop Chain A Residue 305 [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	1kop 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)	L176 T177
Binding residue (residue number reindexed from 1)	L173 T174
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)	H63 H89 H91 E95 H108 T174
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:1kop, PDBe:1kop, PDBj:1kop
PDBsum	1kop
PubMed	9761692
UniProt	Q50940\|CAH_NEIGO Carbonic anhydrase (Gene Name=cah)

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