MolNFT v1 · #48227 · protein

Glutathione transferase from proteus mirabilis

2PMT: “Glutathione transferase from proteus mirabilis”. X-ray diffraction, 1 ligand (GSH), 6 pockets (best druggability 0.79). MolNFT v1 #48227 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2PMT
Type: protein
Length: 804 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutathione transferase
EC: 2.5.1.18
UniProt: P15214
Ligands: GSH
Pockets: 6 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Glutathione transferase (EC 2.5.1.18)	protein	201	52% helix, 9% strand	P15214

Ligands and binding sites

GSH · Glutathione · ligand · 4 copies · chains A, B, C, D

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

Pockets

6 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	894	0.79	0.81	91	GSH
2	916	0.78	0.81	93	GSH
3	96	0.36	0.74	19	empty
4	89	0.36	0.75	20	empty
5	95	0.35	0.74	22	empty

Interfaces

3 interfaces between chains.

C–D · 1753 Å² buried · 15 hydrogen bonds · protein-protein
A–B · 1744 Å² buried · 14 hydrogen bonds · protein-protein
A–C · 15 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent (covalent ligand).

Compared structures

2PMT · Glutathione transferase from proteus mirabilis · the same entry in another collection · chain A against A, TM-score 1.00
P15214 · AlphaFold monomer V2.0 prediction for glutathione S-transferase GST-6.0 (P15214) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P15214
Elsewhere: RCSB PDB 2PMT · PDBe 2PMT · UniProt P15214

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