Structure of PDB 4fj2 Chain B

Receptor sequence

>4fj2B (length=260) Species: 5503 (Curvularia lunata)

YIPGRLDGKVALVTGSGRGIGAAVAVHLGRLGAKVVVNYANSTKDAEKVV
SEIKALGSDAIAIKADIRQVPEIVKLFDQAVAHFGHLDIAVSNSGVVSFG
HLKDVTEEEFDRVFSLNTRGQFFVAREAYRHLTEGGRIVLTSSNTSKDFS
VPKHSLYSGSKGAVDSFVRIFSKDCGDKKITVNAVAPGGTVTDMFHEVSH
HYIPNGTSYTAEQRQQMAAHASPLHRNGWPQDVANVVGFLVSKEGEWVNG
KVLTLDGGAA

3D structure

• PDB: 4fj2 Structural basis for inhibition of 17 beta-hydroxysteroid dehydrogenases by phytoestrogens: The case of fungal 17 beta-HSDcl.
• Chain: B
• Resolution: 2.5 Å

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	B	G25 R28 G29 I30 A50 N51 S52 I77 N103 S104 G105 L126 T151 Y167 K171 G198 G199 T200 T202 M204	G15 R18 G19 I20 A40 N41 S42 I67 N93 S94 G95 L116 T141 Y157 K161 G188 G189 T190 T192 M194
BS02	QSO	B	G199 F205 V208 S209 Y212 I213 M227 A228	G189 F195 V198 S199 Y202 I203 M217 A218

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:4fj2, PDBe:4fj2, PDBj:4fj2
• PDBsum: 4fj2
• PubMed: 28259640
• UniProt: O93874