MolNFT v1 · #137121 · protein

High resolution crystal structure of a fluoride-inhibited organo- phosphate-degrading metallohydrolase

5VEJ · Phosphotriesterase: “High resolution crystal structure of a fluoride-inhibited organo- phosphate-degrading metallohydrolase”. X-ray diffraction, 2 ligands (CO, F), 3 pockets (best druggability 0.52). MolNFT v1 #137121 on GenesisL1…

PDB: 5VEJ
Type: protein
Length: 328 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphotriesterase
UniProt: Q93LD7
Ligands: CO, F
Pockets: 3 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphotriesterase	protein	328	51% helix, 14% strand	Q93LD7

Ligands and binding sites

CO · Cobalt (II) ion · metal · 2 copies · chains A
F · Fluoride ion · ion · chains A
ACT · Acetate ion · additive · 2 copies · chains A

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

Pockets

3 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	134	0.52	0.80	29	ACT, F
2	62	0.35	0.78	17	empty
3	67	0.32	0.75	16	empty

Modifications

Observed in the structure: 1 modified (carboxylation).

Compared structures

5VEJ · High resolution crystal structure of a fluoride-inhibited organo-phosphate-degrading… · 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 Q93LD7
Elsewhere: RCSB PDB 5VEJ · PDBe 5VEJ · UniProt Q93LD7

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