Structure of PDB 3qwh Chain A

Receptor sequence

>3qwhA (length=260) Species: 5503 (Curvularia lunata) [Search protein sequence]

YIPGRLDGKVALVTGSGRGIGAAVAVHLGRLGAKVVVNYANSTKDAEKVV
SEIKALGSDAIAIKADIRQVPEIVKLFDQAVAHFGHLDIAVSNSGVVSFG
HLKDVTEEEFDRVFSLNTRGQFFVAREAYRHLTEGGRIVLTSSNTSKDFS
VPKHSLYSGSKGAVDSFVRIFSKDCGDKKITVNAVAPGGTVTDMFHEVSH
HYIPNGTSYTAEQRQQMAAHASPLHRNGWPQDVANVVGFLVSKEGEWVNG
KVLTLDGGAA

3D structure

PDB

3qwh Structural basis for inhibition of 17 beta-hydroxysteroid dehydrogenases by phytoestrogens: The case of fungal 17 beta-HSDcl.

Chain

Resolution

2.62 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)	G19 S143 N144 H154 Y157 K161 Y202
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	A	G25 R28 G29 I30 A50 N51 S52 D76 I77 N103 S104 G105 L126 T151 Y167 K171 P197 G198 G199 T200 T202 M204	G15 R18 G19 I20 A40 N41 S42 D66 I67 N93 S94 G95 L116 T141 Y157 K161 P187 G188 G189 T190 T192 M194
BS02	KMP	A	N154 F159 G199 F205 S209 Y212 I213 A228	N144 F149 G189 F195 S199 Y202 I203 A218

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:3qwh, PDBe:3qwh, PDBj:3qwh
PDBsum	3qwh
PubMed	28259640
UniProt	O93874

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