Structure of PDB 8dpc Chain C Binding Site BS01
Receptor Information
>8dpc Chain C (length=222) Species:
485
(Neisseria gonorrhoeae) [
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THWGYTGHDSPESWGNLSEEFRLCSTGKNQSPVNITETVSGKLPAIKVNY
KPSMVDVENNGHTIQVNYPEGGNTLTVNGRTYTLKQFHFHVPSENQIKGR
TFPMEAHFVHLDENKQPLVLAVLYEAGKTNGRLSSIWNVMPMTAGKVKLN
QPFDASTLLPKRLKYYRFAGSLTTPPCTEGVSWLVLKTYDHIDQAQAEKF
TRAVGSENNRPVQPLNARVVIE
Ligand information
Ligand ID
ZN
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
Zn
Name
ZINC ION
ChEMBL
CHEMBL1236970
DrugBank
DB14532
ZINC
PDB chain
8dpc Chain C Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
8dpc
Structural Characterization of Thiadiazolesulfonamide Inhibitors Bound to Neisseria gonorrhoeae alpha-Carbonic Anhydrase.
Resolution
2.41 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
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
View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB
RCSB:8dpc
,
PDBe:8dpc
,
PDBj:8dpc
PDBsum
8dpc
PubMed
36655133
UniProt
Q50940
|CAH_NEIGO Carbonic anhydrase (Gene Name=cah)
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