Structure of PDB 6eza Chain B Binding Site BS01

Receptor Information
>6eza Chain B (length=313) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHLILAPMVRVGTLPMRLLALDYGADIVYCEELIDLKMIQCKRVVNEVL
STVDFVAPDDRVVFRTCEREQNRVVFQMGTSDAERALAVARLVENDVAGI
DVNMGCPKKGGMGAALLSDPDKIEKILSTLVKGTRRPVTCKIRILPSLED
TLSLVKRIERTGIAAIAVHGRKREERPQHPVSCEVIKAIADTLSIPVIAN
GGSHDHIQQYSDIEDFRQATAASSVMVARAAMWNPSIFLKEGLRPLEEVM
QKYIRYAVQYDNHYTNTKYCLCQMLREQLKSPQGRLLHAAQSSREICEAF
GLGAFYEETTQEL
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 chain6eza Chain B Residue 403 [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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PDB6eza Electrostatic Potential in the tRNA Binding Evolution of Dihydrouridine Synthases.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		P18 M19 V20 E43 Q87 N113 K155 H183 N214 G215 S217 A242 R243
Binding residue
(residue number reindexed from 1)		P8 M9 V10 E33 Q77 N103 K141 H169 N200 G201 S203 A228 R229
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.1.91: tRNA-dihydrouridine(20) synthase [NAD(P)(+)].
Gene Ontology
Molecular Function
GO:0017150 tRNA dihydrouridine synthase activity
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0008033 tRNA processing

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6eza, PDBe:6eza, PDBj:6eza
PDBsum6eza
PubMed30149704
UniProtQ9NX74|DUS2L_HUMAN tRNA-dihydrouridine(20) synthase [NAD(P)+]-like (Gene Name=DUS2)

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