Structure of PDB 3uyn Chain A Binding Site BS01

Receptor Information
>3uyn Chain A (length=259) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKEWGYASHNGPDHWHELFPNAKGENQSPIELHTKDIRHDPSLQPWSVSY
DGGSAKTILNNGKTCHVVFDDTYDRSMLRGGPLPGPYRLRQFHLHWGSSD
DHGSEHTVDGVKYAAELHLVHWNPKYNTFKEALKQRDGIAVIGIFLKIGH
ENGEFQIFLDALDKIKTKGKEAPFTKFDPSSLFPASRDYWTYQGSFTTPP
CEECIVWLLLKEPMTVSSDQMAKLRSLLSSAENEPPVPLVSNWRPPQPIN
NRVVRASFK
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3uyn Chain A Residue 262 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3uyn Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H94 H96 H119
Binding residue
(residue number reindexed from 1)		H93 H95 H118
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K64 H94 H96 E106 H119 T199
Catalytic site (residue number reindexed from 1) K63 H93 H95 E105 H118 T197
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016151 nickel cation binding
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0006730 one-carbon metabolic process
GO:0009617 response to bacterium
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3uyn, PDBe:3uyn, PDBj:3uyn
PDBsum3uyn
PubMed17427958
UniProtP07451|CAH3_HUMAN Carbonic anhydrase 3 (Gene Name=CA3)

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