Structure of PDB 3g5a Chain F Binding Site BS02

Receptor Information
>3g5a Chain F (length=297) Species: 5478 (Nakaseomyces glabratus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMVMRLGDAAELCYNLTSSYLQIAAESDSIIAQTQRAINTTKSILINET
FPKWSPLNGEISFSYNGGKDCQVLLLLYLSCLWEYYIVKLSPLTKLPTVF
IDHDDTFKTLENFIEETSLRYSLSLYESDRDKCETMAEAFETFLQVFPET
KAIVIGIRHTDPFGEHLKPIQKTDANWPDFYRLQPLLHWNLANIWSFLLY
SNEPICELYRYGFTSLGNVEETLPNPHLRKDKNSTPLKLNFEWEIENRYK
HNEVTKAEPIPIADEDLVKIENLHEDYYPGWYLVDDKLERAGRIKKK
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 chain3g5a Chain F Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3g5a Structure and mechanism of a eukaryotic FMN adenylyltransferase.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		T142 M143 F147 I162 T180 D181 W184 F187 R189
Binding residue
(residue number reindexed from 1)		T135 M136 F140 I155 T173 D174 W177 F180 R182
Annotation score2
Enzymatic activity
Enzyme Commision number 2.7.7.2: FAD synthase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0003919 FMN adenylyltransferase activity
GO:0005524 ATP binding
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006747 FAD biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3g5a, PDBe:3g5a, PDBj:3g5a
PDBsum3g5a
PubMed19375431
UniProtQ6FNA9

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