Structure of PDB 7pp9 Chain D Binding Site BS01
Receptor Information
>7pp9 Chain D (length=260) Species:
9606
(Homo sapiens) [
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KWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYN
LSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHG
SEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFN
PSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPC
NPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKF
DERLVYTSFS
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
7pp9 Chain D Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
7pp9
Three dimensional structure of human carbonic anhydrase XII in complex with sulfonamide
Resolution
2.34 Å
Binding residue
(original residue number in PDB)
H94 H96 H119
Binding residue
(residue number reindexed from 1)
H89 H91 H115
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:7pp9
,
PDBe:7pp9
,
PDBj:7pp9
PDBsum
7pp9
PubMed
35008553
UniProt
O43570
|CAH12_HUMAN Carbonic anhydrase 12 (Gene Name=CA12)
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