Structure of PDB 5odi Chain A Binding Site BS03

Receptor Information
>5odi Chain A (length=651) Species: 523845 (Methanothermococcus thermolithotrophicus DSM 2095) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPRIGVYVCHCGVNIGGTVDCPDVTEFAKTLKNVVVARDYKYMCADPGQE
MIKKDIKEHNLNRVVVAACSPRLHEPTFRRCVAEAGLNPFLFEFANIREH
CSWVHMHEKEKATEKAKDLVRMAVAKARLLEPLEFIKVGVTQRALVIGGG
VAGIQTALDLGDMGFETILVEKTPSVGGRMAQLDKTFPTNDCSICILAPK
MVDVAKHPNVKLYAYSEVVDVQGYVGNFKVKIMKKARYIDETKCTGCGQC
SEVCPIDVPNEFDMGIGMRKAIYKPFPQAVPAKYTIDKEHCIECGLCAKV
CGPNAIDFDQEPEIIEAEVGTIICAIGYDAFDPTVREEYGYGVYDNVVTA
LELERMINASGPTGGKVIRLSDGQKPKRIAFIQCVGSRDAKVGNKYCSNV
CCMYAMKNSQLIKEKSPDTEIDIYYMDIRAFSKGYEEFYERSAKQYGIKF
MRGRPSQVIEDPETGNLVVRAEDTLLGEILEKEYDLVVLSVGMVPTKSAD
EVQKILGISRTPDQFFMEAHPKLRPVDTATDGVYLAGACQGPKDIPASVA
QGSAAASRAAIPLAKGEVEVEPIIASVDAEICGGCGVCVKQCPYGAPRLV
EKDGKVVAEVISALCKGCGTCPAGCPSGALEQDHFKTIQLFKQIEGMFRD
T
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 chain5odi Chain A Residue 704 [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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PDB5odi Methanogenic heterodisulfide reductase (HdrABC-MvhAGD) uses two noncubane [4Fe-4S] clusters for reduction.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		C11 C13 C46 A70 C71 H76
Binding residue
(residue number reindexed from 1)		C9 C11 C44 A68 C69 H74
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:5odi, PDBe:5odi, PDBj:5odi
PDBsum5odi
PubMed28818947
UniProtA0A2D0TCB9

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