MolNFT v1 · #141919 · protein

Catechol 2,3-dioxygenase with 4-methyl catechol from diaphorobacter sp DS2

5ZNH · Catechol 2,3-dioxygenase, extradiol protein: “Catechol 2,3-dioxygenase with 4-methyl catechol from diaphorobacter sp DS2”. X-ray diffraction, 3 ligands (MCT, FE, CA), 2 pockets (best druggability 0.51). MolNFT v1 #141919 on…

PDB: 5ZNH
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: MCT, FE, CA
Pockets: 2 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 20% 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	20% helix, 38% strand	—

Ligands and binding sites

MCT · 4-methylcatechol · ligand · chains A
FE · Fe (III) ion · metal · chains A
CA · Calcium ion · metal · chains A
PEG · Di(hydroxyethyl)ether · additive · chains A
EDO · 1,2-ethanediol · 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	92	0.51	0.83	19	empty
2	102	0.45	0.78	19	empty

Compared structures

5ZNH · Catechol 2,3-dioxygenase with 4-methyl catechol 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 5ZNH · PDBe 5ZNH

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