Structure of PDB 3ddy Chain A Binding Site BS01

Receptor Information
>3ddy Chain A (length=175) Species: 658 (Photobacterium leiognathi subsp. leiognathi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFRGIVQGRGVIRSISKSEDSQRHGIAFPEGMFQLVDVDTVMLVNGCSNT
VVRILGDMVYFDIDQALGTTTFDGLKEGDQVNLEIHPGLTGNIKGTALVA
AIEENDAGFSVLIDIPKGLAENLTVKDDIGIDGISLPITDMSDSIITLNY
SRDLLASTNIASLAKDVKVNVEILN
Ligand information
Ligand IDRBF
InChIInChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
InChIKeyAUNGANRZJHBGPY-SCRDCRAPSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO)c2cc1C
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
OpenEye OEToolkits 1.7.6Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O
CACTVS 3.385Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
ACDLabs 12.01N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)CO
FormulaC17 H20 N4 O6
NameRIBOFLAVIN;
RIBOFLAVINE;
VITAMIN B2
ChEMBLCHEMBL1534
DrugBankDB00140
ZINCZINC000002036848
PDB chain3ddy Chain A Residue 187 [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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PDB3ddy Structure of lumazine protein, an optical transponder of luminescent bacteria.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		V41 C47 S48 T50 D62 D64 Q65 A66 T69 N101 I102
Binding residue
(residue number reindexed from 1)		V41 C47 S48 T50 D62 D64 Q65 A66 T69 N92 I93
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004746 riboflavin synthase activity
Biological Process
GO:0008218 bioluminescence
GO:0009231 riboflavin biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ddy, PDBe:3ddy, PDBj:3ddy
PDBsum3ddy
PubMed18602927
UniProtQ06877|LUXP_PHOLE Lumazine protein (Gene Name=lumP)

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