MolNFT v1 · #95865 · protein

Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template

4J35 · Phosphotriesterase, putative: “Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template”. X-ray diffraction, 1 ligand (CO), 1 pocket (best druggability 0.58). MolNFT v1 #95865 on…

PDB: 4J35
Type: protein
Length: 322 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphotriesterase, putative
UniProt: Q9RVU2
Ligands: CO
Pockets: 1 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphotriesterase, putative	protein	322	47% helix, 16% strand	Q9RVU2

Ligands and binding sites

CO · Cobalt (II) ion · metal · 2 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	280	0.58	0.78	35	empty

Modifications

Observed in the structure: 1 modified (carboxylation).

Compared structures

4J35 · Molecular Engineering of Organophosphate Hydrolysis Activity from a Weak Promiscuous… · 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 Q9RVU2
Elsewhere: RCSB PDB 4J35 · PDBe 4J35 · UniProt Q9RVU2

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