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Crystal structure of the binary complex between a fungal 17BETA- hydroxysteroid dehydrogenase (apo form) and coumestrol

Analyse Crystal structure of the binary complex between a fungal 17BETA- hydroxysteroid… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4FIZ
Type: protein
Length: 260 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 17BETA-hydroxysteroid dehydrogenase
EC: 1.1.1.62
UniProt: O93874
Ligands: CUE, CL
Pockets: 1 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	17BETA-hydroxysteroid dehydrogenase (EC 1.1.1.62)	protein	260	49% helix, 14% strand	O93874

Ligands and binding sites

CUE · Coumestrol · ligand · chains A
CL · Chloride ion · ion · chains A
GOL · Glycerol · additive · 5 copies · chains A
DMS · Dimethyl sulfoxide · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	721	0.79	0.83	66	CUE, GOL, CL

Compared structures

4FIZ · Crystal structure of the binary complex between a fungal 17beta-hydroxysteroid… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt O93874
Elsewhere: RCSB PDB 4FIZ · PDBe 4FIZ · UniProt O93874

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