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BioLiP

Structure of PDB 5odr Chain F Binding Site BS02

Receptor Information
>5odr Chain F (length=447) Species: 523845 (Methanothermococcus thermolithotrophicus DSM 2095) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKLSVEPVTRVEGHGKISVSFDDSGNLDKVRFHVVEVRGFEKFLEGRYVE
DAPIYTPRICGICQVAHHLASAKAVDNVFGVKIPETAELLRNLMHQGATV
HSHALHFYMLAAPDLMFPTTDDVLKRNLMGIAKEHPEIIKDAIELRKAGQ
NVVRVVGGRAIHPVTAVVGGQSKSLKEEERDELLKLSERTIELSEKSIEV
GKKLLENIKDEDLLDIGYFESAHMGMVNNGVHDLYDGKLRVVNSEGKVEY
EFDPSEYMNYIAEGVKPYSYLKFPYLKDKGEEDGIYRVNTLSRLNVSDKM
ATPLAQKYYDEFVKEFGKPCHHPMLFHYARLIELLSSAEMVKELLENDKI
VGEDIRAEPEEVVGDGVGCVEAPRGTLIHHFKTDDDGIITDTNLVVATVQ
NNPAMDIGVRKVAEKYIKAPEDATPQVLNYMEMLIRAYDPCLSCATH
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 chain5odr Chain F Residue 505 [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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PDB5odr Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E42 L395 H448
Binding residue
(residue number reindexed from 1)		E41 L394 H447
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R375 T399 C442 C445
Catalytic site (residue number reindexed from 1) R374 T398 C441 C444
Enzyme Commision number 1.12.1.2: hydrogen dehydrogenase.
1.12.99.6: hydrogenase (acceptor).
Gene Ontology
Molecular Function
GO:0008901 ferredoxin hydrogenase activity
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0033748 hydrogenase (acceptor) activity
GO:0046872 metal ion binding
GO:0047985 hydrogen dehydrogenase activity

View graph for
Molecular Function
External links

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