MolNFT v1 · #37018 · protein

Crystal structure of a glutathione S-transferase (ATU5508) from agrobacterium tumefaciens str. C58 at 2.00 a resolution

2FNO · AGR_PAT_752P: “Crystal structure of a glutathione S-transferase (ATU5508) from agrobacterium tumefaciens str. C58 at 2.00 a…”. X-ray diffraction, 1 ligand (SCN), 3 pockets (best druggability 0.36). MolNFT v1 #37018 on GenesisL1: 3D…

PDB: 2FNO
Type: protein
Length: 473 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: AGR_PAT_752P
Ligands: SCN
Pockets: 3 · best druggability 0.36

Structure

x-ray diffraction · 2 distinct chains · 60% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	AGR_PAT_752P	protein	239	60% helix, 7% strand	—
B	AGR_PAT_752P	protein	234	60% helix, 6% strand	—

Ligands and binding sites

SCN · Thiocyanate ion · ion · 4 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	111	0.36	0.74	27	empty
2	81	0.32	0.73	23	empty
3	70	0.29	0.73	14	SCN

Interfaces

1 interface between chains.

A–B · 366 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 13 modified (engineered).

Compared structures

2FNO · Crystal structure of a glutathione s-transferase (atu5508) from agrobacterium tumefaciens… · 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 2FNO · PDBe 2FNO

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