Structure of PDB 6uff Chain D Binding Site BS01

Receptor Information
>6uff Chain D (length=362) Species: 103690 (Nostoc sp. PCC 7120 = FACHB-418) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IMSTNINLFSSYQLGELELPNRIVMAPLTRQRAGEGNVPHQLNAIYYGQR
ASAGLIIAEATQVTPQGQGYPHTPGIHSPEQVAGWKLVTDTVHQQGGRIF
LQLWHVGRISHPDLQPDGGLPVAPSAIAPKGEVLTYEGKKPYVTPRALDT
SEIPAIVEQYRQGAANALAAGFDGVEIHAANGYLIDQFLRDGTNQRTDEY
GGAIENRARLLLEVTEAITSVWDSQRVGVRLSPSGTFNDIRDSHPLETFG
YVAQALNRFNLSYLHIFEAIDADIRHGGTVVPTSHLRDRFTGTLIVNGGY
TREKGDTVIANKAADLVAFGTLFISNPDLPERLEVNAPLNQADPTTFYGG
GEKGYTDYPFLA
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 chain6uff Chain D Residue 501 [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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PDB6uff Photoenzymatic Hydrogenation of Heteroaromatic Olefins Using 'Ene'-Reductases with Photoredox Catalysts.
Resolution2.007 Å
Binding residue
(original residue number in PDB)		P63 L64 T65 A96 Q138 H214 N217 R266 F303 N333 G335 F355 G356 T357 F383 Y384
Binding residue
(residue number reindexed from 1)		P27 L28 T29 A60 Q102 H178 N181 R230 F267 N297 G299 F319 G320 T321 F347 Y348
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) T65 H214 N217 Y219 R266 N274
Catalytic site (residue number reindexed from 1) T29 H178 N181 Y183 R230 N238
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6uff, PDBe:6uff, PDBj:6uff
PDBsum6uff
PubMed32181943
UniProtQ8YVV8

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