MolNFT v1 · #72542 · protein

Crystal structure of ketosteroid isomerase D38NP39GD99N from pseudomonas testosteroni (tksi) with 4-androstene-3,17-dione bound

3NBR · Steroid delta-isomerase: “Crystal structure of ketosteroid isomerase D38NP39GD99N from pseudomonas testosteroni (tksi) with…”. X-ray diffraction, 2 ligands (ASD, SO4), 1 pocket (best druggability 0.55). MolNFT v1 #72542 on…

PDB: 3NBR
Type: protein
Length: 124 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Steroid delta-isomerase
EC: 5.3.3.1
UniProt: P00947
Ligands: ASD, SO4
Pockets: 1 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Steroid delta-isomerase (EC 5.3.3.1)	protein	124	29% helix, 40% strand	P00947

Ligands and binding sites

ASD · 4-androstene-3-17-dione · ligand · chains A
SO4 · Sulfate ion · ion · 3 copies · 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	155	0.55	0.80	20	ASD

Compared structures

3NBR · Crystal Structure of Ketosteroid Isomerase D38NP39GD99N from Pseudomonas Testosteroni… · the same entry in another collection · chain A against A, TM-score 1.00
P00947 · AlphaFold monomer V2.0 prediction for steroid delta-isomerase (P00947) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P00947
Elsewhere: RCSB PDB 3NBR · PDBe 3NBR · UniProt P00947

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