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Crystal structure of a mutant W92A in ketosteroid isomerase (ksi) from pseudomonas putida biotype B

Analyse Crystal structure of a mutant W92A in ketosteroid isomerase (ksi) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1W6Y
Type
protein
Length
125 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
P07445
Ligands
EQU
Pockets
1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASteroid delta-isomerase (EC 5.3.3.1)protein12532% helix, 40% strandP07445

Ligands and binding sites

  • EQU · Equilenin · ligand · chains A
  • BME · Beta-mercaptoethanol · additive · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12030.630.8223EQU

Compared structures

  • 1W6Y · crystal structure of a mutant W92A in ketosteroid isomerase (KSI) from Pseudomonas putida… · the same entry in another collection · chain A against A, TM-score 1.00

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