Structure of PDB 2ipg Chain B

Receptor sequence

>2ipgB (length=319) Species: 10090 (Mus musculus) [Search protein sequence]

CHCVILNDGNFIPVLGFGTALPLECPASKAKELTKIAIDAGFHHFDSASV
YNTEDHVGEAIRSKIADGTVRREDIFYTSKVWCTSLHPELVRASLERSLQ
KLQFDYVDLYLIHYPMALKPGEENFPVDEHGKLIFDRVDLCATWEAMEKC
KDAGLTKSIGVSNFNYRQLEMILNKPGLKYKPVCNQVECHPYLNQMKLLD
FCKSKDIVLVAYGVLGTQRYGGWVDQNSPVLLDEPVLGSMAKKYNRTPAL
IALRYQLQRGIVVLNTSLKEERIKENMQVFEFQLSSEDMKVLDGLNRNMR
YIPAAIFKGHPNWPFLDEY

3D structure

PDB

2ipg Mouse 17alpha-Hydroxysteroid Dehydrogenase (AKR1C21) Binds Steroids Differently from other Aldo-keto Reductases: Identification and Characterization of Amino Acid Residues Critical for Substrate Binding.

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)	D50 Y55 K84 H117
Catalytic site (residue number reindexed from 1)	D46 Y51 K80 H113
Enzyme Commision number	1.1.1.- 1.1.1.209: 3(or 17)alpha-hydroxysteroid 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	B	G22 T23 A24 D50 Y55 H117 Q190 Y216 G217 L219 T221 Q222 Y224 L236 A253 T270 S271 L272 R276 E279 N280	G18 T19 A20 D46 Y51 H113 Q186 Y212 G213 L215 T217 Q218 Y220 L232 A249 T266 S267 L268 R272 E275 N276
BS02	FFA	B	L25 L27 Y55 H117 Y118 Y224 W227	L21 L23 Y51 H113 Y114 Y220 W223

Gene Ontology

	Molecular Function
GO:0004033	aldo-keto reductase (NADPH) activity
GO:0005496	steroid binding
GO:0016491	oxidoreductase activity
GO:0033764	steroid dehydrogenase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0047023	androsterone dehydrogenase activity
GO:0047024	5alpha-androstane-3beta,17beta-diol dehydrogenase activity
GO:0070401	NADP+ binding
GO:0070402	NADPH binding
GO:0072555	17-beta-ketosteroid reductase (NADPH) activity
GO:0072582	17-beta-hydroxysteroid dehydrogenase (NADP+) activity
GO:1902121	lithocholic acid binding

	Biological Process
GO:0006694	steroid biosynthetic process
GO:0008202	steroid metabolic process

	Cellular Component
GO:0005737	cytoplasm

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:2ipg, PDBe:2ipg, PDBj:2ipg
PDBsum	2ipg
PubMed	17442338
UniProt	Q91WR5\|AK1CL_MOUSE Aldo-keto reductase family 1 member C21 (Gene Name=Akr1c21)

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