Structure of PDB 6fe1 Chain B

Receptor sequence
>6fe1B (length=243) Species: 9606 (Homo sapiens) [Search protein sequence]
WPRVSPACAGRFQSPVDIRPQLAAFSPALRPLELLGFQLPPLPELRLRNN
GHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPA
EIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEE
IAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQT
VMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFP
3D structure
PDB6fe1 Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
ChainB
Resolution1.95 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) H64 H94 H96 E106 H119 T199
Catalytic site (residue number reindexed from 1) H52 H78 H80 E90 H103 T184
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 B H94 H96 H119 H78 H80 H103
BS02 V14 B N62 H64 H94 H96 H119 L198 T199 N50 H52 H78 H80 H103 L183 T184 MOAD: Kd=0.05nM
BindingDB: Kd=<10.0nM
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:6fe1, PDBe:6fe1, PDBj:6fe1
PDBsum6fe1
PubMed29928486
UniProtQ16790|CAH9_HUMAN Carbonic anhydrase 9 (Gene Name=CA9)

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