Structure of PDB 7era Chain B Binding Site BS02

Receptor Information
>7era Chain B (length=207) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMAVKKIAIFGATGQTGLTTLAQAVQAGYEVTVLVRDSSRLPSEGPRPAH
VVVGDVLQAADVDKTVAGQDAVIVLLGTRNDLSPTTVMSEGARNIVAAMK
AHGVDKVVACTSAFLLWDPTKVPPRLQAVTDDHIRMHKVLRESGLKYVAV
MPPHIGDQPLTGAYTVTLDGRGPSRVISKHDLGHFMLRCLTTDEYDGHST
YPSHQYQ
Ligand information
Ligand IDJBC
InChIInChI=1S/C14H10N2O6/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22/h1-6,17-18H,(H,19,20)(H,21,22)/b16-15+
InChIKeyQQBDLJCYGRGAKP-FOCLMDBBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1cc(ccc1O)N=Nc2ccc(O)c(c2)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(c(cc1/N=N/c2ccc(c(c2)C(=O)O)O)C(=O)O)O
OpenEye OEToolkits 2.0.7c1cc(c(cc1N=Nc2ccc(c(c2)C(=O)O)O)C(=O)O)O
FormulaC14 H10 N2 O6
Name5-[(E)-(3-carboxy-4-oxidanyl-phenyl)diazenyl]-2-oxidanyl-benzoic acid
ChEMBLCHEMBL425
DrugBankDB01250
ZINCZINC000003812865
PDB chain7era Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7era Repositioning Food and Drug Administration-Approved Drugs for Inhibiting Biliverdin IX beta Reductase B as a Novel Thrombocytopenia Therapeutic Target.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		R78 F113 W116 L125 V128 P152 H153
Binding residue
(residue number reindexed from 1)		R79 F114 W117 L126 V129 P153 H154
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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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7era, PDBe:7era, PDBj:7era
PDBsum7era
PubMed34957824
UniProtP30043|BLVRB_HUMAN Flavin reductase (NADPH) (Gene Name=BLVRB)

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