Structure of PDB 8j83 Chain B Binding Site BS02

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 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 chain8j83 Chain B Residue 602 [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)		S501 C502 G503 Q504 C505 C508 I541 C542 L544 G545
Binding residue
(residue number reindexed from 1)		S491 C492 G493 Q494 C495 C498 I531 C532 L534 G535
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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