MolNFT v1 · #72856 · protein

Crystal structure of salicylate 1,2-dioxygenase from pseudoaminobacter salicylatoxidans adducts with naphthoate

3NKT · Gentisate 1,2-dioxygenase: “Crystal structure of salicylate 1,2-dioxygenase from pseudoaminobacter salicylatoxidans adducts with…”. X-ray diffraction, 2 ligands (1HN, FE2), 5 pockets (best druggability 0.54). MolNFT v1 #72856 on…

PDB: 3NKT
Type: protein
Length: 364 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gentisate 1,2-dioxygenase
EC: 1.13.11.4
UniProt: Q67FT0
Ligands: 1HN, FE2
Pockets: 5 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Gentisate 1,2-dioxygenase (EC 1.13.11.4)	protein	364	19% helix, 31% strand	Q67FT0

Ligands and binding sites

1HN · 1-hydroxynaphthalene-2-carboxylic acid · ligand · chains A
FE2 · Fe (II) ion · metal · chains A
GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

5 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	155	0.54	0.81	32	GOL
2	162	0.49	0.77	19	FE2, 1HN
3	161	0.45	0.75	22	GOL
4	177	0.44	0.74	23	empty
5	75	0.36	0.77	18	empty

Compared structures

3NKT · Crystal Structure of Salicylate 1,2-dioxygenase from Pseudoaminobacter salicylatoxidans… · 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 Q67FT0
Elsewhere: RCSB PDB 3NKT · PDBe 3NKT · UniProt Q67FT0

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