Structure of PDB 3cot Chain A

Receptor sequence

>3cotA (length=325) Species: 9606 (Homo sapiens) [Search protein sequence]

DLSAASHRIPLSDGNSIPIIGLGTYSEPKSTPKGACATSVKVAIDTGYRH
IDGAYIYQNEHEVGEAIREKIAEGKVRREDIFYCGKLWATNHVPEMVRPT
LERTLRVLQLDYVDLYIIEVPMAFKPGDEIYPRDENGKWLYHKSNLCATW
EAMEACKDAGLVKSLGVSNFNRRQLELILNKPGLKHKPVSNQVECHPYFT
QPKLLKFCQQHDIVITAYSPLGTSRNPIWVNVSSPPLLKDALLNSLGKRY
NKTAAQIVLRFNIQRGVVVIPKSFNLERIKENFQIFDFSLTEEEMKDIEA
LNKNVRFVELLMWRDHPEYPFHDEY

3D structure

PDB

3cot Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.

Chain

Resolution

2.03 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	D53 Y58 K87 E120
Catalytic site (residue number reindexed from 1)	D52 Y57 K86 E119
Enzyme Commision number	1.3.1.3: Delta(4)-3-oxosteroid 5beta-reductase.

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	A	G24 T25 Y26 D53 Y58 S169 N170 Q193 Y219 S220 P221 L222 T224 S225 A256 I271 P272 K273 S274 R279 E282 N283	G23 T24 Y25 D52 Y57 S168 N169 Q192 Y218 S219 P220 L221 T223 S224 A255 I270 P271 K272 S273 R278 E281 N282
BS02	STR	A	Y26 Y58 E120 Y132 W230 W314	Y25 Y57 E119 Y131 W229 W313

Gene Ontology

	Molecular Function
GO:0004032	aldose reductase (NADPH) activity
GO:0004033	aldo-keto reductase (NADPH) activity
GO:0005496	steroid binding
GO:0005515	protein binding
GO:0016229	steroid dehydrogenase activity
GO:0016491	oxidoreductase activity
GO:0047086	ketosteroid monooxygenase activity
GO:0047787	Delta4-3-oxosteroid 5beta-reductase activity

	Biological Process
GO:0006699	bile acid biosynthetic process
GO:0006707	cholesterol catabolic process
GO:0007586	digestion
GO:0008202	steroid metabolic process
GO:0008207	C21-steroid hormone metabolic process
GO:0008209	androgen metabolic process
GO:0016042	lipid catabolic process
GO:0030573	bile acid catabolic process

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

View graph for
Molecular Function

View graph for
Biological Process

View graph for
Cellular Component

External links

PDB	RCSB:3cot, PDBe:3cot, PDBj:3cot
PDBsum	3cot
PubMed	18407998
UniProt	P51857\|AK1D1_HUMAN Aldo-keto reductase family 1 member D1 (Gene Name=AKR1D1)

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