Structure of PDB 8co0 Chain A Binding Site BS01
Receptor Information
>8co0 Chain A (length=251) Species:
9606
(Homo sapiens) [
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WRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFSPALRPLELLGFQLPPL
PELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHT
VEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYE
QLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGV
IWTVFQQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASF
P
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
8co0 Chain A Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
8co0
Atropo/Tropo Flexibility: A Tool for Design and Synthesis of Self-Adaptable Inhibitors of Carbonic Anhydrases and Their Antiproliferative Effect.
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
H94 H96 H119
Binding residue
(residue number reindexed from 1)
H86 H88 H111
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
View graph for
Molecular Function
External links
PDB
RCSB:8co0
,
PDBe:8co0
,
PDBj:8co0
PDBsum
8co0
PubMed
37022308
UniProt
Q16790
|CAH9_HUMAN Carbonic anhydrase 9 (Gene Name=CA9)
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