Structure of PDB 3uck Chain B Binding Site BS01
Receptor Information
>3uck Chain B (length=222) Species:
41892
(Coccomyxa sp. PA) [
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TADLSPLLEANRKWADECAAKDSTYFSKVAGSQAPEYLYIGCADSRVSPA
QLFNMAPGEVFVQRNVGNLVSNKDLNCMSCLEYTVDHLKIKHILVCGHYN
CGACKAGLVWHPKTAGVTNLWISDVREVRDKNAAKLHGLSADDAWDKMVE
LNVEAQVFNVCASPIVQAAWARGQPLSVHGIVYTPGTGLVKELIKPITGM
EDAGALLRADLKQHCFFSESLA
Ligand information
Ligand ID
PO4
InChI
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKey
NBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
Software
SMILES
CACTVS 3.341
[O-][P]([O-])([O-])=O
ACDLabs 10.04
[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0
[O-]P(=O)([O-])[O-]
Formula
O4 P
Name
PHOSPHATE ION
ChEMBL
DrugBank
DB14523
ZINC
PDB chain
3uck Chain A Residue 229 [
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Receptor-Ligand Complex Structure
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PDB
3uck
Structural studies of [beta]-carbonic anhydrase from the green alga Coccomyxa: inhibitor complexes with anions and acetazolamide.
Resolution
2.5 Å
Binding residue
(original residue number in PDB)
F66 Y88
Binding residue
(residue number reindexed from 1)
F61 Y83
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
C47 D49 R51 H103 C106
Catalytic site (residue number reindexed from 1)
C42 D44 R46 H98 C101
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
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Molecular Function
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Biological Process
External links
PDB
RCSB:3uck
,
PDBe:3uck
,
PDBj:3uck
PDBsum
3uck
PubMed
22162771
UniProt
Q96554
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