Calcium in PDB 3v9m: Phospholipase ACII4 From Australian King Brown Snake

All present enzymatic activity of Phospholipase ACII4 From Australian King Brown Snake:
3.1.1.4;

The structure of Phospholipase ACII4 From Australian King Brown Snake, PDB code: 3v9m was solved by L.W.Guddat, E.K.Millers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.45 / 1.56
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	82.380, 82.380, 28.900, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 22.5

The binding sites of Calcium atom in the Phospholipase ACII4 From Australian King Brown Snake (pdb code 3v9m). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Phospholipase ACII4 From Australian King Brown Snake, PDB code: 3v9m:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Phospholipase ACII4 From Australian King Brown Snake


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Phospholipase ACII4 From Australian King Brown Snake within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca205 b:15.0 occ:1.00 O A:GLY32 2.3 24.3 1.0 O A:TYR28 2.3 14.2 1.0 O A:HOH468 2.4 14.5 1.0 O A:GLY30 2.4 11.4 1.0 O A:HOH440 2.5 14.8 1.0 OD2 A:ASP49 2.5 12.7 1.0 OD1 A:ASP49 2.5 10.8 1.0 CG A:ASP49 2.9 14.3 1.0 C A:TYR28 3.4 10.3 1.0 C A:GLY32 3.5 27.0 1.0 C A:GLY30 3.6 15.9 1.0 N A:GLY30 3.9 10.1 1.0 CA A:TYR28 4.1 10.1 1.0 O A:HOH302 4.1 12.1 1.0 C A:TRP31 4.1 23.4 1.0 O A:TRP31 4.2 17.3 1.0 N A:GLY32 4.2 28.8 1.0 CA A:GLY30 4.3 16.4 1.0 O A:HOH304 4.3 10.7 1.0 O1 A:EDO201 4.3 22.8 1.0 CB A:ASP49 4.4 10.4 1.0 N A:GLY33 4.4 20.2 1.0 CA A:GLY32 4.4 31.4 1.0 N A:CYS29 4.4 10.3 1.0 CA A:GLY33 4.4 20.5 1.0 C A:CYS29 4.5 10.2 1.0 HO1 A:EDO201 4.5 27.3 1.0 N A:TRP31 4.5 16.2 1.0 O A:HOH395 4.6 24.7 1.0 H21 A:EDO201 4.6 43.8 1.0 CB A:TYR28 4.6 9.2 1.0 O A:HOH315 4.7 11.7 1.0 CA A:CYS29 4.7 7.5 1.0 CA A:TRP31 4.7 18.6 1.0 O A:HOH359 5.0 40.2 1.0

Calcium binding site 2 out of 2 in the Phospholipase ACII4 From Australian King Brown Snake


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Phospholipase ACII4 From Australian King Brown Snake within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:13.7 occ:1.00 O B:TYR28 2.2 13.3 1.0 O B:HOH459 2.3 19.1 1.0 O B:HOH460 2.3 14.2 1.0 OD1 B:ASP49 2.4 14.0 1.0 OD2 B:ASP49 2.4 14.1 1.0 O B:GLY32 2.4 16.2 1.0 O B:GLY30 2.5 17.4 1.0 CG B:ASP49 2.8 17.6 1.0 C B:TYR28 3.4 12.9 1.0 C B:GLY32 3.6 19.3 1.0 C B:GLY30 3.7 19.2 1.0 N B:GLY30 3.9 26.9 1.0 N B:GLY32 4.2 24.2 1.0 O B:HOH333 4.2 14.1 1.0 CA B:TYR28 4.2 11.5 1.0 CB B:ASP49 4.3 13.5 1.0 O4 B:PEG203 4.3 32.3 1.0 C B:TRP31 4.3 22.2 1.0 O B:HOH309 4.4 13.7 1.0 HO4 B:PEG203 4.4 38.7 1.0 CA B:GLY30 4.4 27.6 1.0 CA B:GLY32 4.4 24.9 1.0 N B:CYS29 4.4 10.5 1.0 C B:CYS29 4.5 16.2 1.0 O B:HOH380 4.5 24.3 1.0 CA B:CYS29 4.6 8.6 1.0 N B:GLY33 4.6 16.3 1.0 O B:HOH319 4.6 14.4 1.0 O B:TRP31 4.7 22.9 1.0 N B:TRP31 4.7 15.2 1.0 CA B:GLY33 4.8 18.3 1.0 CB B:TYR28 4.8 12.3 1.0 CA B:TRP31 4.8 10.4 1.0 O B:HOH327 4.9 24.8 1.0 O B:HOH426 4.9 40.5 1.0

M.Trabi, E.-K.Millers, R.Richards, H.Snelling, R.Keegan, M.F.Lavin, J.De Jersey, L.W.Guddat, P.Masci. Mechanistic Studies on the Anticoagulant Activity of A Phospholipase A2 From the Venom of the Australian King Brown Snake (Pseudechis Australis) To Be Published.