Structure of PDB 3eyx Chain A Binding Site BS03

Receptor Information
>3eyx Chain A (length=197) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLQDILAANAKWASQMNNIQPTLFSPHTLFIGCSDSRYNENCLGVLPGEV
FTWKNVANICHSEDLTLKATLEFAIICLKVNKVIICGHTDCGGIKTCLTN
QREALPKVNCSHLYKYLDDIDTMYHEESQNLIHLKTQREKSHYLSHCNVK
RQFNRIIENPTVQTAVQNGELQVYGLLYNVEDGLLQTVSTYTKVTPK
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain3eyx Chain A Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3eyx Structural insights into the substrate tunnel of Saccharomyces cerevisiae carbonic anhydrase Nce103.
Resolution2.04 Å
Binding residue
(original residue number in PDB)		F75 F97
Binding residue
(residue number reindexed from 1)		F51 F73
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C57 D59 R61 H112 C115
Catalytic site (residue number reindexed from 1) C33 D35 R37 H88 C91
Enzyme Commision number 4.2.1.1: carbonic anhydrase.
Gene Ontology
Molecular Function
GO:0004089 carbonate dehydratase activity
GO:0008270 zinc ion binding
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0015976 carbon utilization
GO:0034599 cellular response to oxidative stress
GO:0071244 cellular response to carbon dioxide
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005758 mitochondrial intermembrane space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3eyx, PDBe:3eyx, PDBj:3eyx
PDBsum3eyx
PubMed19852838
UniProtP53615|CAN_YEAST Carbonic anhydrase (Gene Name=NCE103)

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