Structure of PDB 7omd Chain B Binding Site BS01

Receptor Information
>7omd Chain B (length=310) Species: 6136 (Renilla reniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSKVYDPEQRKRMITGPQWWARCKQMNVLDSFINYYDSEKHAENAVIFLH
GNATSSYLWRHVVPHIEPVARCIIPDLIGMGKSGKSGNGSYRLLDHYKYL
TAWFELLNLPKKIIFVGHDWGAALAFHYAYEHQDRIKAIVHMESVVDVIE
SWDEWPDIEEAIALIKSEEGEKMVLENNFFVETVLPSKIMRKLEPEEFAA
YLEPFKEKGEVRRPTLSWPREIPLVKGGKPDVVQIVRNYNAYLRASDDLP
KLFIESDPGFFSNAIVEGAKKFPNTEFVKVKGLHFLQEDAPDEMGKYIKS
FVERVLKNEQ
Ligand information
Ligand IDVK8
InChIInChI=1S/C25H20N4O3/c30-20-10-6-18(7-11-20)15-29-25(32)28-16-23(19-8-12-21(31)13-9-19)26-22(24(28)27-29)14-17-4-2-1-3-5-17/h1-13,16,30-31H,14-15H2
InChIKeyFAFQJYQLYIUGAT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(CN2N=C3N(C=C(N=C3Cc4ccccc4)c5ccc(O)cc5)C2=O)cc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC2=NC(=CN3C2=NN(C3=O)Cc4ccc(cc4)O)c5ccc(cc5)O
FormulaC25 H20 N4 O3
Name6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-8-(phenylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
ChEMBL
DrugBank
ZINC
PDB chain7omd Chain B Residue 401 [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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PDB7omd Catalytic mechanism for Renilla-type luciferases
Resolution1.601 Å
Binding residue
(original residue number in PDB)		L165 I166 M174 F180 F181 V185 H285
Binding residue
(residue number reindexed from 1)		L164 I165 M173 F179 F180 V184 H284
Annotation score2
Enzymatic activity
Enzyme Commision number 1.13.12.5: Renilla-type luciferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004301 epoxide hydrolase activity
GO:0004497 monooxygenase activity
GO:0016787 hydrolase activity
GO:0016831 carboxy-lyase activity
GO:0050248 Renilla-luciferin 2-monooxygenase activity
Biological Process
GO:0008218 bioluminescence

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7omd, PDBe:7omd, PDBj:7omd
PDBsum7omd
PubMed
UniProtP27652|LUCI_RENRE Coelenterazine h 2-monooxygenase

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