Structure of PDB 6vw8 Chain D Binding Site BS01

Receptor Information
>6vw8 Chain D (length=514) Species: 106590 (Cupriavidus necator) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MITITTIFVPRDSTALALGADDVARAIAREAAARNEHVRIVRNGSRGMFW
LEPLVEVQTGAGRVAYGPVSAADVPGLFDAGLLQGGEHALSQGVTEEIPF
LKQQERLTFARVGITDPLSLDDYRAHEGFAGLERALAMQPAEIVQEVTDS
GLRGRGGAAFPTGIKWKTVLGAQSAVKYIVCNADEGDSGTFSDRMVMEDD
PFMLIEGMTIAALAVGAEQGYIYCRSEYPHAIAVLESAIGIANAAGWLGD
DIRGSGKRFHLEVRKGAGAYVCGEETALLESLEGRRGVVRAKPPLPALQG
LFGKPTVINNVISLATVPVILARGAQYYRDYGMGRSRGTLPFQLAGNIKQ
GGLVEKAFGVTLRELLVDYGGGTRSGRAIRAVQVGGPLGAYLPESRFDVP
LDYEAYAAFGGVVGHGGIVVFDETVDMAKQARYAMEFCAIESCGKCTPCR
IGSTRGVEVMDRIIAGEQPVKHVALVRDLCDTMLNGSLCAMGGMTPYPVL
SALNEFPEDFGLAS
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 chain6vw8 Chain D Residue 600 [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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PDB6vw8 Crystallographic and kinetic analyses of the FdsBG subcomplex of the cytosolic formate dehydrogenase FdsABG fromCupriavidus necator.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		G154 G156 K165 N182 E185 Y270 G273 E274 N309 N310 S313 A490 M491
Binding residue
(residue number reindexed from 1)		G154 G156 K165 N182 E185 Y270 G273 E274 N309 N310 S313 A490 M491
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: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:6vw8, PDBe:6vw8, PDBj:6vw8
PDBsum6vw8
PubMed32249211
UniProtQ0KDY2

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