Structure of PDB 3bur Chain A

Receptor sequence
>3burA (length=325) Species: 9606 (Homo sapiens) [Search protein sequence]
DLSAASHRIPLSDGNSIPIIGLGTYSEPKSTPKGACATSVKVAIDTGYRH
IDGAYIYQNEHEVGEAIREKIAEGKVRREDIFYCGKLWATNHVPEMVRPT
LERTLRVLQLDYVDLYIIEVPMAFKPGDEIYPRDENGKWLYHKSNLCATW
EAMEACKDAGLVKSLGVSNFNRRQLELILNKPGLKHKPVSNQVECHPYFT
QPKLLKFCQQHDIVITAYSPLGTSRNPIWVNVSSPPLLKDALLNSLGKRY
NKTAAQIVLRFNIQRGVVVIPKSFNLERIKENFQIFDFSLTEEEMKDIEA
LNKNVRFVELLMWRDHPEYPFHDEY
3D structure
PDB3bur Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
ChainA
Resolution1.62 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
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 N170 Q193 Y219 S220 P221 L222 T224 S225 I271 P272 K273 S274 R279 E282 N283 G23 T24 Y25 D52 Y57 N169 Q192 Y218 S219 P220 L221 T223 S224 I270 P271 K272 S273 R278 E281 N282
BS02 TES A Y26 W89 Y132 S225 N227 W230 V309 Y25 W88 Y131 S224 N226 W229 V308 MOAD: Ki=14.45uM
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:3bur, PDBe:3bur, PDBj:3bur
PDBsum3bur
PubMed18407998
UniProtP51857|AK1D1_HUMAN Aldo-keto reductase family 1 member D1 (Gene Name=AKR1D1)

[Back to BioLiP]