MolNFT v1 · #109415 · protein

Crystal structure of leptospira interrogans triosephosphate isomerase (litim)

4X22: “Crystal structure of leptospira interrogans triosephosphate isomerase (litim)”. X-ray diffraction, 4 pockets (best druggability 0.40). MolNFT v1 #109415 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4X22
Type: protein
Length: 249 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Triosephosphate isomerase
EC: 5.3.1.1
Pockets: 4 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Triosephosphate isomerase (EC 5.3.1.1)	protein	249	46% helix, 14% strand	—

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 4 copies · chains A
PG0 · 2-(2-methoxyethoxy)ethanol · additive · chains A

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	107	0.40	0.76	16	empty
2	54	0.34	0.78	18	empty
3	60	0.29	0.74	16	EDO
4	58	0.27	0.73	14	empty

Compared structures

4X22 · Crystal structure of Leptospira Interrogans Triosephosphate Isomerase (LiTIM) · 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 4X22 · PDBe 4X22

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