Structure of PDB 3qj5 Chain B

Receptor sequence

>3qj5B (length=373) Species: 9606 (Homo sapiens) [Search protein sequence]

ANEVIKCKAAVAWEAGKPLSIEEIEVAPPKAHEVRIKIIATAVCHTDAYT
LSGADPEGCFPVILGHEGAGIVESVGEGVTKLKAGDTVIPLYIPQCGECK
FCLNPKTNLCQKIRVTQGKGLMPDGTSRFTCKGKTILHYMGTSTFSEYTV
VADISVAKIDPLAPLDKVCLLGCGISTGYGAAVNTAKLEPGSVCAVFGLG
GVGLAVIMGCKVAGASRIIGVDINKDKFARAKEFGATECINPQDFSKPIQ
EVLIEMTDGGVDYSFECIGNVKVMRAALEACHKGWGVSVVVGVAASGEEI
ATRPFQLVTGRTWKGTAFGGWKSVESVPKLVSEYMSKKIKVDEFVTHNLS
FDEINKAFELMHSGKSIRTVVKI

3D structure

PDB

3qj5 Discovery of s-nitrosoglutathione reductase inhibitors: potential agents for the treatment of asthma and other inflammatory diseases.

Chain

Resolution

1.9 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368
Catalytic site (residue number reindexed from 1)	C44 H45 T46 Y49 H66 E67 C96 C99 C102 C110 R114 C173 T177 R368
Enzyme Commision number	1.1.1.- 1.1.1.1: alcohol dehydrogenase. 1.1.1.284: S-(hydroxymethyl)glutathione dehydrogenase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ZN	B	C96 C99 C102 C110	C96 C99 C102 C110
BS02	ZN	B	C44 H66 C173	C44 H66 C173
BS03	NAD	B	C173 T177 G200 V202 D222 I223 C267 I268 V291 G292 V293 A317 F318	C173 T177 G200 V202 D222 I223 C267 I268 V291 G292 V293 A317 F318
BS04	022	B	C44 T46 Y92 R114 Q117 M140 C173	C44 T46 Y92 R114 Q117 M140 C173	BindingDB: IC50=20nM
BS05	N2P	B	H45 Y49 V293 A295	H45 Y49 V293 A295

Gene Ontology

	Molecular Function
GO:0004022	alcohol dehydrogenase (NAD+) activity
GO:0005504	fatty acid binding
GO:0008270	zinc ion binding
GO:0009055	electron transfer activity
GO:0016491	oxidoreductase activity
GO:0018467	formaldehyde dehydrogenase (NAD+) activity
GO:0042802	identical protein binding
GO:0046872	metal ion binding
GO:0051903	S-(hydroxymethyl)glutathione dehydrogenase [NAD(P)+] activity
GO:0080007	S-nitrosoglutathione reductase (NADH) activity
GO:0106321	S-(hydroxymethyl)glutathione dehydrogenase (NADP+) activity
GO:0106322	S-(hydroxymethyl)glutathione dehydrogenase (NAD+) activity

	Biological Process
GO:0001523	retinoid metabolic process
GO:0003016	respiratory system process
GO:0006629	lipid metabolic process
GO:0010430	fatty acid omega-oxidation
GO:0032496	response to lipopolysaccharide
GO:0044281	small molecule metabolic process
GO:0045777	positive regulation of blood pressure
GO:0046294	formaldehyde catabolic process
GO:0051409	response to nitrosative stress
GO:0051775	response to redox state

	Cellular Component
GO:0005737	cytoplasm
GO:0005739	mitochondrion
GO:0005829	cytosol
GO:0070062	extracellular exosome

View graph for
Molecular Function

View graph for
Biological Process

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Cellular Component

External links

PDB	RCSB:3qj5, PDBe:3qj5, PDBj:3qj5
PDBsum	3qj5
PubMed	24900320
UniProt	P11766\|ADHX_HUMAN Alcohol dehydrogenase class-3 (Gene Name=ADH5)

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