Structure of PDB 5odh Chain A Binding Site BS03

Receptor Information
>5odh Chain A (length=652) Species: 523845 (Methanothermococcus thermolithotrophicus DSM 2095) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEPRIGVYVCHCGVNIGGTVDCPDVTEFAKTLKNVVVARDYKYMCADPGQ
EMIKKDIKEHNLNRVVVAACSPRLHEPTFRRCVAEAGLNPFLFEFANIRE
HCSWVHMHEKEKATEKAKDLVRMAVAKARLLEPLEFIKVGVTQRALVIGG
GVAGIQTALDLGDMGFETILVEKTPSVGGRMAQLDKTFPTNDCSICILAP
KMVDVAKHPNVKLYAYSEVVDVQGYVGNFKVKIMKKARYIDETKCTGCGQ
CSEVCPIDVPNEFDMGIGMRKAIYKPFPQAVPAKYTIDKEHCIECGLCAK
VCGPNAIDFDQEPEIIEAEVGTIICAIGYDAFDPTVREEYGYGVYDNVVT
ALELERMINASGPTGGKVIRLSDGQKPKRIAFIQCVGSRDAKVGNKYCSN
VCCMYAMKNSQLIKEKSPDTEIDIYYMDIRAFSKGYEEFYERSAKQYGIK
FMRGRPSQVIEDPETGNLVVRAEDTLLGEILEKEYDLVVLSVGMVPTKSA
DEVQKILGISRTPDQFFMEAHPKLRPVDTATDGVYLAGACQGPKDIPASV
AQGSAAASRAAIPLAKGEVEVEPIIASVDAEICGGCGVCVKQCPYGAPRL
VEKDGKVVAEVISALCKGCGTCPAGCPSGALEQDHFKTIQLFKQIEGMFR
DT
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain5odh Chain A Residue 703 [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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PDB5odh Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C256 P257 A273 C293 I294 C296 G297 C299
Binding residue
(residue number reindexed from 1)		C255 P256 A272 C292 I293 C295 G296 C298
Annotation score4
Enzymatic activity
Enzyme Commision number 1.8.-.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:5odh, PDBe:5odh, PDBj:5odh
PDBsum5odh
PubMed28818947
UniProtA0A2D0TCB9

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