MolNFT v1 · #17052 · protein

Crystal structure of ketosteroid isomerase complexed with equilenin

1OH0 · Steroid delta-isomerase: “Crystal structure of ketosteroid isomerase complexed with equilenin”. X-ray diffraction, 1 ligand (EQU), 2 pockets (best druggability 0.65). MolNFT v1 #17052 on GenesisL1: 3D structure, binding sites and…

PDB: 1OH0
Type: protein
Length: 253 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Steroid delta-isomerase
EC: 5.3.3.1
UniProt: P07445
Ligands: EQU
Pockets: 2 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Steroid delta-isomerase (EC 5.3.3.1)	protein	125	32% helix, 38% strand	P07445
B	Steroid delta-isomerase (EC 5.3.3.1)	protein	128	30% helix, 40% strand	P07445

Ligands and binding sites

EQU · Equilenin · ligand · 2 copies · chains A, B
BME · Beta-mercaptoethanol · additive · chains B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	210	0.65	0.83	26	EQU
2	255	0.61	0.79	29	EQU

Interfaces

1 interface between chains.

A–B · 1075 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

1OH0 · Crystal structure of ketosteroid isomerase complexed with equilenin · 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 P07445
Elsewhere: RCSB PDB 1OH0 · PDBe 1OH0 · UniProt P07445

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