Structure of PDB 4fj1 Chain B

Receptor sequence
>4fj1B (length=259) Species: 5503 (Curvularia lunata) [Search protein sequence]
IPGRLDGKVALVTGSGRGIGAAVAVHLGRLGAKVVVNYANSTKDAEKVVS
EIKALGSDAIAIKADIRQVPEIVKLFDQAVAHFGHLDIAVSNSGVVSFGH
LKDVTEEEFDRVFSLNTRGQFFVAREAYRHLTEGGRIVLTSSNTSKDFSV
PKHSLYSGSKGAVDSFVRIFSKDCGDKKITVNAVAPGGTVTDMFHEVSHH
YIPNGTSYTAEQRQQMAAHASPLHRNGWPQDVANVVGFLVSKEGEWVNGK
VLTLDGGAA
3D structure
PDB4fj1 Structural basis for inhibition of 17 beta-hydroxysteroid dehydrogenases by phytoestrogens: The case of fungal 17 beta-HSDcl.
ChainB
Resolution2.3 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) G18 S142 N143 H153 Y156 K160 Y201
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 S153 Y167 K171 G198 T200 T202 M204 G14 R17 G18 I19 A39 N40 S41 I66 N92 S93 G94 L115 T140 S142 Y156 K160 G187 T189 T191 M193
BS02 GEN B G199 F205 S209 Y212 I213 M227 A228 G188 F194 S198 Y201 I202 M216 A217
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
PDBsum4fj1
PubMed28259640
UniProtO93874

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