MolNFT v1 · #78930 · protein

Organophoshatedegrading enzyme (opda)-phosphate complex

3SO7 · Phosphotriesterase: “Organophoshatedegrading enzyme (opda)-phosphate complex”. X-ray diffraction, 3 ligands (CO, NA, PO4), 3 pockets (best druggability 0.57). MolNFT v1 #78930 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 3SO7
Type: protein
Length: 329 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphotriesterase
UniProt: Q93LD7
Ligands: CO, NA, PO4
Pockets: 3 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phosphotriesterase	protein	329	50% helix, 14% strand	Q93LD7

Ligands and binding sites

CO · Cobalt (II) ion · metal · 2 copies · chains A
NA · Sodium ion · metal · 2 copies · chains A
PO4 · Phosphate ion · ion · 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	186	0.57	0.80	31	NA, PO4
2	84	0.37	0.76	17	empty
3	55	0.35	0.79	16	empty

Modifications

Observed in the structure: 1 modified (carboxylation).

Compared structures

3SO7 · Organophoshatedegrading enzyme (OpdA)-phosphate complex · 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 3SO7 · PDBe 3SO7 · UniProt Q93LD7

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