MolNFT v1 · #48663 · protein

Crystal structure of imidazolonepropionase from environmental sample with bound inhibitor 3-(2,5-dioxo-imidazolidin-4-yl)-propionic acid

2Q09: “Crystal structure of imidazolonepropionase from environmental sample with bound inhibitor…”. X-ray diffraction, 2 ligands (DI6, FE), 1 pocket (best druggability 0.65). MolNFT v1 #48663 on GenesisL1: 3D structure, binding sites and…

PDB: 2Q09
Type: protein
Length: 402 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Imidazolonepropionase
EC: 3.5.2.7
Ligands: DI6, FE
Pockets: 1 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Imidazolonepropionase (EC 3.5.2.7)	protein	402	38% helix, 22% strand	—

Ligands and binding sites

DI6 · 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoic acid · ligand · chains A
FE · Fe (III) ion · metal · 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	395	0.65	0.79	44	DI6

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

2Q09 · Crystal structure of Imidazolonepropionase from environmental sample with bound inhibitor… · 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
Elsewhere: RCSB PDB 2Q09 · PDBe 2Q09

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