MolNFT v1 · #40324 · protein

Crystal structure of ketosteroid isomerase D40N from pseudomonas putida (pksi) with bound 2,6-difluorophenol

2INX · Steroid delta-isomerase: “Crystal structure of ketosteroid isomerase D40N from pseudomonas putida (pksi) with bound 2,6-difluorophenol”. X-ray diffraction, 1 ligand (FFP), 1 pocket (best druggability 0.61). MolNFT v1 #40324 on…

PDB: 2INX
Type: protein
Length: 123 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: FFP
Pockets: 1 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Steroid delta-isomerase (EC 5.3.3.1)	protein	123	32% helix, 39% strand	P07445

Ligands and binding sites

FFP · 2,6-difluorophenol · ligand · 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	163	0.61	0.83	23	FFP

Compared structures

2INX · Crystal Structure of Ketosteroid Isomerase D40N from Pseudomonas putida (pKSI) with bound… · 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 2INX · PDBe 2INX · UniProt P07445

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