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Crystal structure of ketosteroid isomerase from pseudomonas putida (pksi); D40N, Y32(CL-Y)

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

PDB: 5D83
Type: protein
Length: 253 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DELTA(5)-3-ketosteroid isomerase
EC: 5.3.3.1
UniProt: P07445
Pockets: 3 · best druggability 0.62

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DELTA(5)-3-ketosteroid isomerase (EC 5.3.3.1)	protein	126	30% helix, 40% strand	P07445
B	DELTA(5)-3-ketosteroid isomerase (EC 5.3.3.1)	protein	127	31% helix, 38% strand	P07445

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	218	0.62	0.81	29	empty
2	190	0.62	0.82	22	empty
3	78	0.34	0.75	17	empty

Interfaces

1 interface between chains.

A–B · 1116 Å² buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (nonstandard).

Compared structures

5D83 · Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y32(Cl-Y) · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt P07445
Elsewhere: RCSB PDB 5D83 · PDBe 5D83 · UniProt P07445

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