Structure of PDB 3cf4 Chain A Binding Site BS03

Receptor Information
>3cf4 Chain A (length=766) Species: 2208 (Methanosarcina barkeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAGPTLFPGLEGYRDDWNFKLLDRYEPVITPMCDQCCYCTYGPCDLSGNK
RGACGIDMKGHNGREFFLRVITGTACHAAHGRHLLDHLIEKYGEDLPLTL
GQSNVLTPNITISTGLSPKTLGEVKPAMEYVEEQLTQLLATVHAGQESAE
IDYDSKALFSGSLDHVGMEISDIVQVAAYDFPKADPEAPLVEIGMGTIDK
SKPFLCVIGHNVAGVTYMMDYMEDNNLTDKMEIAGLCCTAIDLTRYKEAD
RRPPYAKVIGSMSKELKVIRSGMPDVIVVDEQCVRGDIVPEAQKLKIPVI
ASNPKIMYGLPNRTDADVDETMEELKSGKIPGCVMLDYDKLGELCVRLTM
EMAPIRDAAGITALPTDEELVNMVAKCADCGACLLACPEEIDIPEAMGFA
KKGDFSYFEEIHDTCIGCRRCEQVCKKEIPILNVIEKIAQKQIAEEKGLM
RAGRGQVSDAEIRAEGLNLVMGTTPGIIAIIGCPNYAGGTKDVYYIAEEF
LKRNFIVVTTGCGAMDIGMFKDADGKTLYERFPGGFQCGGLANIGSCVSN
AHITGAAEKVAAIFAQRTLEGNLAEIGDYILNRVGACGLAWGAFSQKASS
IGTGCNIFGIPAVLGPHSSKYRRALIAKTYEEDKWKVYDARNGQEMPIPP
APEFLLTTAETWQEAIPMMAKACIRPSDNSMGRAIKLTHWMELHKKYLGG
KEPEDWWKFVRTEADLPLATREALLKELEKEHGWEIDWKRKKIISGPKIK
FDVSAQPTNLKRLCKE
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain3cf4 Chain A Residue 808 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3cf4 Structure of the alpha2 epsilon2 Ni-dependent CO dehydrogenase component of the Methanosarcina barkeri acetyl-CoA decarboxylase/synthase complex
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H250 C278 C587
Binding residue
(residue number reindexed from 1)		H210 C238 C547
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.7.4: anaerobic carbon-monoxide dehydrogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004601 peroxidase activity
GO:0005506 iron ion binding
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0043885 anaerobic carbon-monoxide dehydrogenase activity
GO:0046872 metal ion binding
GO:0050418 hydroxylamine reductase activity
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006084 acetyl-CoA metabolic process
GO:0015948 methanogenesis
GO:0019385 methanogenesis, from acetate
GO:0042542 response to hydrogen peroxide
GO:0098869 cellular oxidant detoxification

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3cf4, PDBe:3cf4, PDBj:3cf4
PDBsum3cf4
PubMed18621675
UniProtQ46G04|ACDA1_METBF Acetyl-CoA decarbonylase/synthase complex subunit alpha 1 (Gene Name=cdhA1)

[Back to BioLiP]