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BioLiP

Structure of PDB 1he4 Chain A Binding Site BS02

Receptor Information

>1he4 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 ID

FMN

InChI

InChI=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

InChIKey

FVTCRASFADXXNN-SCRDCRAPSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.7.6	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01	N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=23)CC(O)C(O)C(O)COP(=O)(O)O
CACTVS 3.385	Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C
CACTVS 3.385	Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C

Formula

C17 H21 N4 O9 P

Name

FLAVIN MONONUCLEOTIDE;
RIBOFLAVIN MONOPHOSPHATE

PDB chain

1he4 Chain A Residue 1207 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1he4 Structure of Human Biliverdin Ix Beta Reductase, an Early Fetal Bilirubin Ix Producing Enzyme
Resolution	1.4 Å
Binding residue (original residue number in PDB)	A112 F113 W116 P152 H153
Binding residue (residue number reindexed from 1)	A112 F113 W116 P152 H153
Annotation score	2

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

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Cellular Component

External links

PDB	RCSB:1he4, PDBe:1he4, PDBj:1he4
PDBsum	1he4
PubMed	11224564
UniProt	P30043\|BLVRB_HUMAN Flavin reductase (NADPH) (Gene Name=BLVRB)

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