Structure of PDB 5xmj Chain J Binding Site BS01

Receptor Information
>5xmj Chain J (length=240) Species: 1121448 (Megalodesulfovibrio gigas DSM 1382 = ATCC 19364) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNRMLTLNIFRYNPLDPDSQPRMQTFTVQEYDSMTLFIALTQIRDEKDPT
LKVDFCCRAGICGSCAMVINGRPGLACHTQTKDLPAEITLHPLPFFQLLG
DLSVDTGSWFRKTGLQIEAWCHSDDKAFDPTADEMRMDNDLANEIFELDR
CIECGCCVAACGTARMRTDFLGAVSIMRVARFYLDPRDKRSEDDYYDVIG
NDQGVFGCMGLLACEDVCPKGIPLQDQLGIMRRMMAMHSV
Ligand information
Ligand IDF3S
InChIInChI=1S/3Fe.4S
InChIKeyFCXHZBQOKRZXKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385S1[Fe]S[Fe]2S[Fe]1S2
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S]2[Fe]1S3
FormulaFe3 S4
NameFE3-S4 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain5xmj Chain J Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xmj Structural insights into the electron/proton transfer pathways in the quinol:fumarate reductase from Desulfovibrio gigas.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		C161 T163 C208 M209 G210 L211 L212 C214 L228
Binding residue
(residue number reindexed from 1)		C161 T163 C208 M209 G210 L211 L212 C214 L228
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.5.1: succinate dehydrogenase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051538 3 iron, 4 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0009060 aerobic respiration
GO:0022904 respiratory electron transport chain

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5xmj, PDBe:5xmj, PDBj:5xmj
PDBsum5xmj
PubMed30297797
UniProtT2G9X8

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