Structure of PDB 8j83 Chain B Binding Site BS01

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 IDFMN
InChIInChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1
InChIKeyFVTCRASFADXXNN-SCRDCRAPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C
FormulaC17 H21 N4 O9 P
NameFLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE
ChEMBLCHEMBL1201794
DrugBankDB03247
ZINCZINC000003831425
PDB chain8j83 Chain B Residue 601 [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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PDB8j83 Structure and function relationship of formate dehydrogenases: an overview of recent progress.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G226 G228 K237 N253 E256 Y329 G332 E333 N368 N369
Binding residue
(residue number reindexed from 1)		G217 G219 K228 N244 E247 Y319 G322 E323 N358 N359
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
View graph for
Biological Process
External links
PDB RCSB:8j83, PDBe:8j83, PDBj:8j83
PDBsum8j83
PubMed37668215
UniProtC5ATT6

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