Structure of PDB 7vw6 Chain B Binding Site BS03

Receptor Information
>7vw6 Chain B (length=560) Species: 272630 (Methylorubrum extorquens AM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTVRSFAHPGRGRNVARAVPKGRQVDPHAKVEIEELLGTRPRQRDLLIEH
LHLIQDTYGQISADHLAALADEMSLAFAEVFETATFYAHFDVVKEGEADI
PRLTIRVCDSITCAMFGADELLETLQRELASDAVRVVRAPCVGLCDHAPA
VEVGHNFLHRADLASVRAAVEAEDTHAHIPTYVDYDAYRAGGGYATLERL
RSGELPVDDVLKVLDDGGLRGLGGAGFPTGRKWRSVRGEPGPRLMAVNGD
EGEPGTFKDQLYLNTDPHRFLEGMLIGAHVVEAADVYIYLRDEYPISREI
LAREIAKLPEGGTRIHLRRGAGAYICGEESSLIESLEGKRGLPRHKPPFP
FQVGLFNRPTLINNIETLFWVRDLIERGAEWWKSHGRNGRVGLRSYSVSG
RVKEPGVKLAPAGLTIQELIDEYCGGISDGHSFAAYLPGGASGGILPASM
NDIPLDFGTLEKYGCFIGSAAVVILSDQDDVRGAALNLMKFFEDESCGQC
TPCRSGTQKARMLMENGVWDTDLLGELAQCMRDASICGLGQAASNPVSTV
IKYFPDLFPE
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 chain7vw6 Chain B Residue 1603 [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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PDB7vw6 Multiple electron transfer pathways of tungsten-containing formate dehydrogenase in direct electron transfer-type bioelectrocatalysis.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		G1247 G1249 K1258 N1274 D1276 Y1350 G1353 E1354 N1389 N1390 T1393
Binding residue
(residue number reindexed from 1)		G221 G223 K232 N248 D250 Y324 G327 E328 N363 N364 T367
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7vw6, PDBe:7vw6, PDBj:7vw6
PDBsum7vw6
PubMed35535582
UniProtC5ATT6

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