Structure of PDB 3qwh Chain B

Receptor sequence

>3qwhB (length=261) Species: 5503 (Curvularia lunata)

TYIPGRLDGKVALVTGSGRGIGAAVAVHLGRLGAKVVVNYANSTKDAEKV
VSEIKALGSDAIAIKADIRQVPEIVKLFDQAVAHFGHLDIAVSNSGVVSF
GHLKDVTEEEFDRVFSLNTRGQFFVAREAYRHLTEGGRIVLTSSNTSKDF
SVPKHSLYSGSKGAVDSFVRIFSKDCGDKKITVNAVAPGGTVTDMFHEVS
HHYIPNGTSYTAEQRQQMAAHASPLHRNGWPQDVANVVGFLVSKEGEWVN
GKVLTLDGGAA

3D structure

• PDB: 3qwh Structural basis for inhibition of 17 beta-hydroxysteroid dehydrogenases by phytoestrogens: The case of fungal 17 beta-HSDcl.
• Chain: B
• Resolution: 2.62 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): G29 S153 N154 H164 Y167 K171 Y212
• Catalytic site (residue number reindexed from 1): G20 S144 N145 H155 Y158 K162 Y203
• Enzyme Commision number: 1.1.1.62: 17beta-estradiol 17-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	G25 R28 G29 I30 A50 N51 S52 D76 I77 N103 S104 G105 L126 T151 S153 Y167 K171 P197 G198 G199 T200 T202 M204	G16 R19 G20 I21 A41 N42 S43 D67 I68 N94 S95 G96 L117 T142 S144 Y158 K162 P188 G189 G190 T191 T193 M195
BS02	KMP	B	N154 G198 G199 F205 Y212 I213 A228	N145 G189 G190 F196 Y203 I204 A219

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016491 oxidoreductase activity
• GO:0016614 oxidoreductase activity, acting on CH-OH group of donors

External links

• PDB: RCSB:3qwh, PDBe:3qwh, PDBj:3qwh
• PDBsum: 3qwh
• PubMed: 28259640
• UniProt: O93874