Structure of PDB 8j83 Chain B Binding Site BS03

Receptor Information
>8j83 Chain B (length=557) Species: 272630 (Methylorubrum extorquens AM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFAHPGRGRNVARAVPKGRQVDPHAKVEIEELLGTRPRQRDLLIEHLHLI
QDTYGQISADHLAALADEMSLAFAEVFETATFYAHFDVVKEGEADIPRLT
IRVCDSITCAMFGADELLETLQRELASDAVRVVRAPCVGLCDHAPAVEVG
HNFLHRADLASVRAAVEAEDTHAHIPTYVDYDAYRAGGGYATLERLRSGE
LPVDDVLKVLDDGGLRGLGGAGFPTGRKWRSVRGEPGPRLMAVNGDEGEP
GTFKDQLYLNTDPHRFLEGMLIGAHVVEAADVYIYLRDEYPISREILARE
IAKLPEGTRIHLRRGAGAYICGEESSLIESLEGKRGLPRHKPPFPFQVGL
FNRPTLINNIETLFWVRDLIERGAEWWKSHGRNGRVGLRSYSVSGRVKEP
GVKLAPAGLTIQELIDEYCGGISDGHSFAAYLPGGASGGILPASMNDIPL
DFGTLEKYGCFIGSAAVVILSDQDDVRGAALNLMKFFEDESCGQCTPCRS
GTQKARMLMENGVWDTDLLGELAQCMRDASICGLGQAASNPVSTVIKYFP
DLFPEPR
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8j83 Chain B Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8j83 Structure and function relationship of formate dehydrogenases: an overview of recent progress.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		C113 S115 T117 C118 C146 V147 L149 C150
Binding residue
(residue number reindexed from 1)		C104 S106 T108 C109 C137 V138 L140 C141
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.1.2: Transferred entry: 1.17.1.9.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008137 NADH dehydrogenase (ubiquinone) activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:1902600 proton transmembrane transport

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Molecular Function
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Biological Process
External links
PDB RCSB:8j83, PDBe:8j83, PDBj:8j83
PDBsum8j83
PubMed37668215
UniProtC5ATT6

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