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Catechol 2,3-dioxygenase with 3-fluorocatechol from diaphorobacter sp DS2

Analyse Catechol 2,3-dioxygenase with 3-fluorocatechol from diaphorobacter sp DS2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5ZSX
Type: protein
Length: 314 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Catechol 2,3-dioxygenase, extradiol protein
EC: 1.13.11.2
Ligands: 3FA, CA, FE
Pockets: 2 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Catechol 2,3-dioxygenase, extradiol protein (EC 1.13.11.2)	protein	314	21% helix, 38% strand	—

Ligands and binding sites

3FA · 3-fluorobenzene-1,2-diol · ligand · chains A
CA · Calcium ion · metal · chains A
FE · Fe (III) ion · metal · chains A
EDO · 1,2-ethanediol · additive · 2 copies · chains A
PEG · Di(hydroxyethyl)ether · additive · chains A

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

Pockets

2 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	101	0.53	0.83	24	empty
2	96	0.43	0.78	18	empty

Compared structures

5ZSX · Catechol 2,3-dioxygenase with 3-fluorocatechol from Diaphorobacter sp DS2 · 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 5ZSX · PDBe 5ZSX

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