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Crystal structure of ketosteroid isomerase from pseudomonas putida (pksi) bound to 5 alpha-dihydronandrolone

Analyse Crystal structure of ketosteroid isomerase from pseudomonas putida (pksi) bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6UFS
Type: protein
Length: 256 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: Q6J
Pockets: 3 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Steroid delta-isomerase (EC 5.3.3.1)	protein	128	31% helix, 40% strand	P07445

Ligands and binding sites

Q6J · 5alpha-dihydronandrolone · ligand · chains B

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

Pockets

3 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	240	0.64	0.81	26	Q6J
2	218	0.63	0.82	25	empty
3	76	0.31	0.73	16	empty

Interfaces

1 interface between chains.

A–B · 1080 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

6UFS · Crystal structure of ketosteroid isomerase from Pseudomonas putida (pKSI) bound to 5… · 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 6UFS · PDBe 6UFS · UniProt P07445

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