Structure of PDB 1huh Chain A Binding Site BS02
Receptor Information
>1huh Chain A (length=257) Species:
9606
(Homo sapiens) [
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DWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNP
ATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEH
GSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEA
NPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPL
YESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKG
RTVRASF
Ligand information
Ligand ID
IOD
InChI
InChI=1S/HI/h1H/p-1
InChIKey
XMBWDFGMSWQBCA-UHFFFAOYSA-M
SMILES
Software
SMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[I-]
Formula
I
Name
IODIDE ION
ChEMBL
DrugBank
DB12754
ZINC
PDB chain
1huh Chain A Residue 520 [
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Receptor-Ligand Complex Structure
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PDB
1huh
Differences in anionic inhibition of human carbonic anhydrase I revealed from the structures of iodide and gold cyanide inhibitor complexes.
Resolution
2.2 Å
Binding residue
(original residue number in PDB)
H94 H119 T199
Binding residue
(residue number reindexed from 1)
H91 H116 T196
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
H64 H94 H96 E106 H119 T199
Catalytic site (residue number reindexed from 1)
H61 H91 H93 E103 H116 T196
Enzyme Commision number
4.2.1.1
: carbonic anhydrase.
4.2.1.69
: cyanamide hydratase.
Gene Ontology
Molecular Function
GO:0004064
arylesterase activity
GO:0004089
carbonate dehydratase activity
GO:0005515
protein binding
GO:0008270
zinc ion binding
GO:0016829
lyase activity
GO:0016836
hydro-lyase activity
GO:0018820
cyanamide hydratase activity
GO:0046872
metal ion binding
Biological Process
GO:0006730
one-carbon metabolic process
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0070062
extracellular exosome
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1huh
,
PDBe:1huh
,
PDBj:1huh
PDBsum
1huh
PubMed
15299369
UniProt
P00915
|CAH1_HUMAN Carbonic anhydrase 1 (Gene Name=CA1)
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