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Monoclinic NAGST1

Analyse Monoclinic NAGST1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4OFN
Type: protein
Length: 411 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glutathione S-transferase-1
UniProt: D3U1A5
Ligands: GSH
Pockets: 3 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 60% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glutathione S-transferase-1	protein	206	60% helix, 9% strand	D3U1A5
B	Glutathione S-transferase-1	protein	205	60% helix, 9% strand	D3U1A5

Ligands and binding sites

GSH · Glutathione · ligand · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1126	0.80	0.81	89	GSH
2	112	0.40	0.75	22	empty
3	88	0.37	0.75	18	empty

Interfaces

1 interface between chains.

A–B · 1388 Å² buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

4OFN · Monoclinic NaGST1 · 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 D3U1A5
Elsewhere: RCSB PDB 4OFN · PDBe 4OFN · UniProt D3U1A5

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