Structure of PDB 5liy Chain X

Receptor sequence

>5liyX (length=316) Species: 9606 (Homo sapiens) [Search protein sequence]

MATFVELSTKAKMPIVGLGTWKSPLGKVKEAVKVAIDAGYRHIDCAYVYQ
NEHEVGEAIQEKIQEKAVKREDLFIVSKLWPTFFERPLVRKAFEKTLKDL
KLSYLDVYLIHWPQGFKSGDDLFPRDDKGNAIGGKATFLDAWEAMEELVD
EGLVKALGVSNFSHFQIEKLLNKPGLKYKPVTNQVECHPYLTQEKLIQYC
HSKGITVTAYSPLGSPDRPWAKPEDPSLLEDPKIKEIAAKHKKTAAQVLI
RFHIQRNVIVIPKSVTPARIVENIQVFDFKLSDEEMATILSFNRNWRACN
LLQSSHLEDYPFNAEY

3D structure

PDB

5liy IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.

Chain

Resolution

2.05 Å

3D
structure

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Enzymatic activity

Enzyme Commision number

1.1.1.300: NADP-retinol dehydrogenase.
1.1.1.54: allyl-alcohol 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	NAP	X	G19 T20 W21 D44 Y49 H111 N161 Q184 Y210 S211 P212 L213 S215 P216 D217 A246 I261 P262 X263 S264 T266 R269 E272 N273	G19 T20 W21 D44 Y49 H111 N161 Q184 Y210 S211 P212 L213 S215 P216 D217 A246 I261 P262 X263 S264 T266 R269 E272 N273
BS02	DQP	X	W21 Y49 W80 H111 W112 F116 W220 C299 N300 L301 S304	W21 Y49 W80 H111 W112 F116 W220 C299 N300 L301 S304	BindingDB: IC50=8e+1nM

Gene Ontology

	Molecular Function
GO:0001758	retinal dehydrogenase activity
GO:0004032	aldose reductase (NADPH) activity
GO:0004033	aldo-keto reductase (NADPH) activity
GO:0005515	protein binding
GO:0008106	alcohol dehydrogenase (NADP+) activity
GO:0016491	oxidoreductase activity
GO:0045550	geranylgeranyl reductase activity
GO:0047655	allyl-alcohol dehydrogenase activity
GO:0047718	indanol dehydrogenase activity
GO:0052650	all-trans-retinol dehydrogenase (NADP+) activity

	Biological Process
GO:0001523	retinoid metabolic process
GO:0006629	lipid metabolic process
GO:0016488	farnesol catabolic process
GO:0042572	retinol metabolic process
GO:0044597	daunorubicin metabolic process
GO:0044598	doxorubicin metabolic process
GO:0110095	cellular detoxification of aldehyde

	Cellular Component
GO:0005576	extracellular region
GO:0005739	mitochondrion
GO:0005764	lysosome
GO:0005829	cytosol

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:5liy, PDBe:5liy, PDBj:5liy
PDBsum	5liy
PubMed	27359042
UniProt	O60218\|AK1BA_HUMAN Aldo-keto reductase family 1 member B10 (Gene Name=AKR1B10)

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