MolNFT v1 · #72863 · protein

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

3NL1 · Gentisate 1,2-dioxygenase: “Crystal structure of salicylate 1,2-dioxygenase from pseudoaminobacter salicylatoxidans adducts with gentisate”. X-ray diffraction, 2 ligands (GTQ, FE2), 5 pockets (best druggability 0.53). MolNFT v1…

PDB: 3NL1
Type: protein
Length: 366 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: GTQ, FE2
Pockets: 5 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Gentisate 1,2-dioxygenase (EC 1.13.11.4)	protein	366	19% helix, 30% strand	Q67FT0

Ligands and binding sites

GTQ · 2,5-dihydroxybenzoic 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	0.53	0.80	31	GOL
2	202	0.46	0.74	24	empty
3	141	0.45	0.76	19	FE2, GTQ
4	138	0.43	0.75	20	empty
5	78	0.37	0.77	17	empty

Compared structures

3NL1 · 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 3NL1 · PDBe 3NL1 · UniProt Q67FT0

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