Structure of PDB 4fj1 Chain D

Receptor sequence

>4fj1D (length=261) Species: 5503 (Curvularia lunata) [Search protein sequence]

TYIPGRLDGKVALVTGSGRGIGAAVAVHLGRLGAKVVVNYANSTKDAEKV
VSEIKALGSDAIAIKADIRQVPEIVKLFDQAVAHFGHLDIAVSNSGVVSF
GHLKDVTEEEFDRVFSLNTRGQFFVAREAYRHLTEGGRIVLTSSNTSKDF
SVPKHSLYSGSKGAVDSFVRIFSKDCGDKKITVNAVAPGGTVTDMFHEVS
HHYIPNGTSYTAEQRQQMAAHASPLHRNGWPQDVANVVGFLVSKEGEWVN
GKVLTLDGGAA

3D structure

PDB

4fj1 Structural basis for inhibition of 17 beta-hydroxysteroid dehydrogenases by phytoestrogens: The case of fungal 17 beta-HSDcl.

Chain

Resolution

2.3 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	D	G25 R28 G29 I30 A50 N51 S52 I77 N103 S104 G105 L126 T151 S153 Y167 K171 P197 G198 G199 T200 T202 M204	G16 R19 G20 I21 A41 N42 S43 I68 N94 S95 G96 L117 T142 S144 Y158 K162 P188 G189 G190 T191 T193 M195
BS02	GEN	D	G199 M204 F205 S209 Y212 I213 M227 A228	G190 M195 F196 S200 Y203 I204 M218 A219

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:4fj1, PDBe:4fj1, PDBj:4fj1
PDBsum	4fj1
PubMed	28259640
UniProt	O93874

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