Structure of PDB 6fe0 Chain D

Receptor sequence
>6fe0D (length=239) Species: 9606 (Homo sapiens) [Search protein sequence]
SPACAGRFQSPVDIRPQLAAFSPALRPLELLGFQLPPLPELRLRNNGHSV
QLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHV
VHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEE
GSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLS
AKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFP
3D structure
PDB6fe0 Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells.
ChainD
Resolution1.91 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) H48 H74 H76 E86 H99 T180
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 D H94 H96 H119 H74 H76 H99
BS02 V90 D N62 H64 Q92 H94 H96 L198 T199 T200 N46 H48 Q72 H74 H76 L179 T180 T181 MOAD: Kd=1.1nM
BindingDB: Kd=15nM
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:6fe0, PDBe:6fe0, PDBj:6fe0
PDBsum6fe0
PubMed29928486
UniProtQ16790|CAH9_HUMAN Carbonic anhydrase 9 (Gene Name=CA9)

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