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Structure of PDB 1he5 Chain A Binding Site BS02

Receptor Information
>1he5 Chain A (length=205) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAVKKIAIFGATGQTGLTTLAQAVQAGYEVTVLVRDSSRLPSEGPRPAHV
VVGDVLQAADVDKTVAGQDAVIVLLGTRNDLSPTTVMSEGARNIVAAMKA
HGVDKVVACTSAFLLWDPTKVPPRLQAVTDDHIRMHKVLRESGLKYVAVM
PPHIGDQPLTGAYTVTLDGRGPSRVISKHDLGHFMLRCLTTDEYDGHSTY
PSHQY
Ligand information
Ligand IDLUM
InChIInChI=1S/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
InChIKeyZJTJUVIJVLLGSP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3
CACTVS 3.341Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C
ACDLabs 10.04O=C1c2nc3c(nc2NC(=O)N1)cc(c(c3)C)C
FormulaC12 H10 N4 O2
NameLUMICHROME;
7,8-DIMETHYLALLOXAZINE;
6,7-DIMETHYLALLOXAZINE
ChEMBLCHEMBL1234101
DrugBankDB04345
ZINCZINC000012446789
PDB chain1he5 Chain A Residue 1207 [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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PDB1he5 Structure of Human Biliverdin Ix Beta Reductase, an Early Fetal Bilirubin Ix Producing Enzyme
Resolution1.5 Å
Binding residue
(original residue number in PDB)		S111 A112 F113 W116 P152 H153
Binding residue
(residue number reindexed from 1)		S111 A112 F113 W116 P152 H153
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.1.-
1.5.1.30: flavin reductase (NADPH).
2.6.99.-
Gene Ontology
Molecular Function
GO:0004074 biliverdin reductase [NAD(P)+] activity
GO:0005515 protein binding
GO:0008752 FMN reductase (NAD(P)H) activity
GO:0016491 oxidoreductase activity
GO:0016740 transferase activity
GO:0035605 peptidyl-cysteine S-nitrosylase activity
GO:0042602 riboflavin reductase (NADPH) activity
GO:0052873 FMN reductase (NADPH) activity
GO:0052874 FMN reductase (NADH) activity
Biological Process
GO:0030219 megakaryocyte differentiation
GO:0042167 heme catabolic process
GO:0046627 negative regulation of insulin receptor signaling pathway
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0043231 intracellular membrane-bounded organelle
GO:0070062 extracellular exosome

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Biological Process
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Cellular Component
External links
PDB RCSB:1he5, PDBe:1he5, PDBj:1he5
PDBsum1he5
PubMed11224564
UniProtP30043|BLVRB_HUMAN Flavin reductase (NADPH) (Gene Name=BLVRB)

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