MolNFT v1 · #73212 · protein

Crystal structure of salicylate 1,2-dioxygenase G106A mutant from pseudoaminobacter salicylatoxidans in complex with salicylate

3NVC · Gentisate 1,2-dioxygenase: “Crystal structure of salicylate 1,2-dioxygenase G106A mutant from pseudoaminobacter salicylatoxidans in…”. X-ray diffraction, 2 ligands (SAL, FE2), 5 pockets (best druggability 0.53). MolNFT v1 #73212 on…

PDB: 3NVC
Type: protein
Length: 349 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: SAL, FE2
Pockets: 5 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Gentisate 1,2-dioxygenase (EC 1.13.11.4)	protein	349	20% helix, 32% strand	Q67FT0

Ligands and binding sites

SAL · 2-hydroxybenzoic acid · ligand · chains A
FE2 · Fe (II) ion · metal · chains A
GOL · Glycerol · additive · 3 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	198	0.53	0.78	26	FE2, SAL
2	137	0.49	0.79	32	GOL
3	182	0.46	0.74	18	empty
4	163	0.45	0.75	26	empty
5	133	0.44	0.77	25	empty

Compared structures

3NVC · Crystal Structure of Salicylate 1,2-dioxygenase G106A mutant from Pseudoaminobacter… · 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 3NVC · PDBe 3NVC · UniProt Q67FT0

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