Structure of PDB 3qwi Chain B

Receptor sequence

>3qwiB (length=261) Species: 5503 (Curvularia lunata) [Search protein sequence]

TYIPGRLDGKVALVTGSGRGIGAAVAVHLGRLGAKVVVNYANSTKDAEKV
VSEIKALGSDAIAIKADIRQVPEIVKLFDQAVAHFGHLDIAVSNSGVVSF
GHLKDVTEEEFDRVFSLNTRGQFFVAREAYRHLTEGGRIVLTSSNTSKDF
SVPKHSLYSGSKGAVDSFVRIFSKDCGDKKITVNAVAPGGTVTDMFHEVS
HHYIPNGTSYTAEQRQQMAAHASPLHRNGWPQDVANVVGFLVSKEGEWVN
GKVLTLDGGAA

3D structure

PDB

3qwi Structural studies on the flavonoid inhibition of a fungal 17Beta-Hydroxysteroid dehydrogenase

Chain

Resolution

2.5 Å

3D
structure

Catalytic site residues are labeled in the structure
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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 G198 G199 T200 T202 M204	G16 R19 G20 I21 A41 N42 S43 D67 I68 N94 S95 G96 L117 T142 S144 Y158 K162 G189 G190 T191 T193 M195
BS02	CUE	B	F159 G199 F205 Y212 I213 M227 A228	F150 G190 F196 Y203 I204 M218 A219	MOAD: ic50=2.8uM

Gene Ontology

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

View graph for
Molecular Function

External links

PDB	RCSB:3qwi, PDBe:3qwi, PDBj:3qwi
PDBsum	3qwi
PubMed	21929506
UniProt	O93874

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