Structure of PDB 1oao Chain C Binding Site BS02

Receptor Information
>1oao Chain C (length=729) Species: 1525 (Moorella thermoacetica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTDFDKIFEGAIPEGKEPVALFREVYHGAITATSYAEILLNQAIRTYGPD
HPVGYPDTAYYLPVIRCFSGEEVKKLGDLPPILNRKRAQVSPVLNFENAR
LAGEATWYAAEIIEALRYLKYKPDEPLLPPPWTGFIGDPVVRRFGIKMVD
WTIPGEAIILGRAKDSKALAKIVKELMGMGFMLFICDEAVEQLLEENVKL
GIDYIAYPLGNFTQIVHAANYALRAGMMFGGVTPGAREEQRDYQRRRIRA
FVLYLGEHDMVKTAAAFGAIFTGFPVITDQPLPEDKQIPDWFFSVEDYDK
IVQIAMETRGIKLTKIKLDLPINFGPAFEGESIRKGDMYVEMGGNRTPAF
ELVRTVSESEITDGKIEVIGPDIDQIPEGSKLPLGILVDIYGRKMQADFE
GVLERRIHDFINYGEGLWHTGQRNINWLRVSKDAVAKGFRFKNYGEILVA
KMKEEFPAIVDRVQVTIFTDEAKVKEYMEVAREKYKERDDRMRGLTDETV
DTFYSCVLCQSFAPNHVCIVTPERVGLCGAVSWLDAKASYEINHAGPNQP
IPKEGEIDPIKGIWKSVNDYLYTASNRNLEQVCLYTLMENPMTSCGCFEA
IMAILPECNGIMITTRDHAGMTPSGMTFSTLAGMIGGGTQTPGFMGIGRT
YIVSKKFISADGGIARIVWMPKSLKDFLHDEFVRRSVEEGLGEDFIDKIA
DETIGTTVDEILPYLEEKGHPALTMDPIM
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 chain1oao Chain C Residue 1731 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1oao Ni-Zn-[Fe4-S4] and Ni-Ni-[Fe4-S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C509 C595 C597
Binding residue
(residue number reindexed from 1)		C509 C595 C597
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.169: CO-methylating acetyl-CoA synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016491 oxidoreductase activity
GO:0016740 transferase activity
GO:0043884 CO-methylating acetyl-CoA synthase activity
GO:0043885 anaerobic carbon-monoxide dehydrogenase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006084 acetyl-CoA metabolic process
GO:0015977 carbon fixation

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Molecular Function
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Biological Process
External links
PDB RCSB:1oao, PDBe:1oao, PDBj:1oao
PDBsum1oao
PubMed12627225
UniProtP27988|DCMA_MOOTH Carbon monoxide dehydrogenase/acetyl-CoA synthase subunit alpha

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