Structure of PDB 1mrq Chain A

Receptor sequence

>1mrqA (length=323) Species: 9606 (Homo sapiens)

QDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHID
SAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALE
RSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEA
VEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNQR
KLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKR
TPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLN
RNVRYLTLDIFAGPPNYPFSDEY

3D structure

• PDB: 1mrq Human 20alpha-hydroxysteroid dehydrogenase: crystallographic and site-directed mutagenesis studies lead to the identification of an alternative binding site for C21-steroids.
• Chain: A
• Resolution: 1.59 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D50 Y55 K84 H117
• Catalytic site (residue number reindexed from 1): D50 Y55 K84 H117
• Enzyme Commision number: 1.1.1.-
  1.1.1.112: indanol dehydrogenase.
  1.1.1.149: 20alpha-hydroxysteroid dehydrogenase.
  1.1.1.209: 3(or 17)alpha-hydroxysteroid dehydrogenase.
  1.1.1.210: 3beta-(or 20alpha)-hydroxysteroid dehydrogenase.
  1.1.1.357: 3alpha-hydroxysteroid 3-dehydrogenase.
  1.1.1.51: 3(or 17)beta-hydroxysteroid dehydrogenase.
  1.1.1.53: 3alpha(or 20beta)-hydroxysteroid dehydrogenase.
  1.1.1.62: 17beta-estradiol 17-dehydrogenase.
  1.3.1.20: trans-1,2-dihydrobenzene-1,2-diol 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	A	G22 T23 Y24 D50 Y55 H117 Q190 Y216 S217 L219 S221 H222 L236 A253 L268 K270 S271 R276 Q279 N280	G22 T23 Y24 D50 Y55 H117 Q190 Y216 S217 L219 S221 H222 L236 A253 L268 K270 S271 R276 Q279 N280
BS02	STR	A	Y24 L54 V128 I129 H222 W227 L306 L308	Y24 L54 V128 I129 H222 W227 L306 L308

Gene Ontology

Molecular Function

• GO:0004032 aldose reductase (NADPH) activity
• GO:0004033 aldo-keto reductase (NADPH) activity
• GO:0004303 estradiol 17-beta-dehydrogenase [NAD(P)+] activity
• GO:0005515 protein binding
• GO:0016491 oxidoreductase activity
• GO:0016655 oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
• GO:0030283 testosterone dehydrogenase [NAD(P)+] activity
• GO:0031406 carboxylic acid binding
• GO:0032052 bile acid binding
• GO:0033703 3beta-hydroxy-5beta-steroid dehydrogenase activity
• GO:0033764 steroid dehydrogenase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0047006 17-alpha,20-alpha-dihydroxypregn-4-en-3-one dehydrogenase activity
• GO:0047023 androsterone dehydrogenase activity
• GO:0047024 5alpha-androstane-3beta,17beta-diol dehydrogenase activity
• GO:0047042 androsterone dehydrogenase (B-specific) activity
• GO:0047044 androstan-3-alpha,17-beta-diol dehydrogenase activity
• GO:0047045 testosterone 17-beta-dehydrogenase (NADP+) activity
• GO:0047086 ketosteroid monooxygenase activity
• GO:0047115 trans-1,2-dihydrobenzene-1,2-diol dehydrogenase activity
• GO:0047718 indanol dehydrogenase activity

Biological Process

• GO:0001523 retinoid metabolic process
• GO:0006629 lipid metabolic process
• GO:0006693 prostaglandin metabolic process
• GO:0006805 xenobiotic metabolic process
• GO:0007586 digestion
• GO:0008206 bile acid metabolic process
• GO:0015721 bile acid and bile salt transport
• GO:0030299 intestinal cholesterol absorption
• GO:0030855 epithelial cell differentiation
• GO:0042448 progesterone metabolic process
• GO:0042574 retinal metabolic process
• GO:0042632 cholesterol homeostasis
• GO:0044597 daunorubicin metabolic process
• GO:0044598 doxorubicin metabolic process
• GO:0046683 response to organophosphorus
• GO:0071395 cellular response to jasmonic acid stimulus
• GO:2000379 positive regulation of reactive oxygen species metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0070062 extracellular exosome

External links

• PDB: RCSB:1mrq, PDBe:1mrq, PDBj:1mrq
• PDBsum: 1mrq
• PubMed: 12899831
• UniProt: Q04828|AK1C1_HUMAN Aldo-keto reductase family 1 member C1 (Gene Name=AKR1C1)