Structure of PDB 6g7a Chain A

Receptor sequence
>6g7aA (length=262) Species: 9606 (Homo sapiens) [Search protein sequence]
SKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGY
NLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPH
GSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSF
NPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPP
CNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQK
FDERLVYTSFSQ
3D structure
PDB6g7a Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
ChainA
Resolution1.42 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) H65 H90 H92 E103 H116 T197
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 H90 H92 H116
BS02 EOQ A H91 H117 V119 S130 L197 T198 T199 W208 H90 H116 V118 S129 L196 T197 T198 W207 MOAD: Kd=0.041nM
PDBbind-CN: -logKd/Ki=6.78,Kd=167nM
BindingDB: Kd=0.041000nM
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:6g7a, PDBe:6g7a, PDBj:6g7a
PDBsum6g7a
PubMed30006175
UniProtO43570|CAH12_HUMAN Carbonic anhydrase 12 (Gene Name=CA12)

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