Structure of PDB 4q0l Chain A

Receptor sequence
>4q0lA (length=261) Species: 9606 (Homo sapiens) [Search protein sequence]
KWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYN
LSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHG
SEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFN
PSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPC
NPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKF
DERLVYTSFSQ
3D structure
PDB4q0l Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX.
ChainA
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H66 H91 H93 E104 H117 T198
Catalytic site (residue number reindexed from 1) H64 H89 H91 E102 H115 T196
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 ZN A H91 H93 H117 H89 H91 H115
BS02 V14 A K69 Q89 H91 H93 H117 V119 S133 L197 T198 T199 K67 Q87 H89 H91 H115 V117 S131 L195 T196 T197 MOAD: Kd=20nM
PDBbind-CN: -logKd/Ki=7.70,Kd=20nM
BindingDB: Kd=5.3nM
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:4q0l, PDBe:4q0l, PDBj:4q0l
PDBsum4q0l
PubMed25358084
UniProtO43570|CAH12_HUMAN Carbonic anhydrase 12 (Gene Name=CA12)

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