MolNFT v1 · #92874 · protein

Crystal structure of glutathione S-transferase MFLA_2116 (target efi- 507160) from methylobacillus flagellatus kt with gsh bound

4GLT · Glutathione S-transferase-like protein: “Crystal structure of glutathione S-transferase MFLA_2116 (target efi- 507160) from methylobacillus…”. X-ray diffraction, 1 ligand (GSH), 7 pockets (best druggability 0.84). MolNFT v1 #92874…

PDB: 4GLT
Type: protein
Length: 821 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutathione S-transferase-like protein
UniProt: Q1GZF4
Ligands: GSH
Pockets: 7 · best druggability 0.84

Structure

x-ray diffraction · 3 distinct chains · 55% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Glutathione S-transferase-like protein	protein	208	52% helix, 6% strand	Q1GZF4
B	Glutathione S-transferase-like protein	protein	203	55% helix, 6% strand	Q1GZF4
C	Glutathione S-transferase-like protein	protein	202	56% helix, 7% strand	Q1GZF4

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

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1128	0.84	0.85	115	GSH
2	1146	0.83	0.84	113	GSH
3	145	0.51	0.79	24	empty
4	90	0.49	0.82	19	empty
5	170	0.44	0.75	33	empty

Interfaces

5 interfaces between chains.

A–B · 1646 Å² buried · 27 hydrogen bonds · protein-protein
C–D · 1591 Å² buried · 24 hydrogen bonds · protein-protein
A–C · 579 Å² buried · 7 hydrogen bonds · protein-protein
A–D · 347 Å² buried · 4 hydrogen bonds · protein-protein
B–C · 176 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

4GLT · Crystal structure of glutathione s-transferase MFLA_2116 (target EFI-507160) from… · 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 Q1GZF4
Elsewhere: RCSB PDB 4GLT · PDBe 4GLT · UniProt Q1GZF4

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