Calcium in PDB 4hg9: Crystal Structure of AHV_BPA, A Basic PLA2 From Agkistrodon Halys Pallas Venom

All present enzymatic activity of Crystal Structure of AHV_BPA, A Basic PLA2 From Agkistrodon Halys Pallas Venom:
3.1.1.4;

The structure of Crystal Structure of AHV_BPA, A Basic PLA2 From Agkistrodon Halys Pallas Venom, PDB code: 4hg9 was solved by F.Zeng, L.Niu, X.Li, M.Teng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.00 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.953, 53.959, 108.433, 90.00, 111.48, 90.00
R / Rfree (%)	17.1 / 19.3

The binding sites of Calcium atom in the Crystal Structure of AHV_BPA, A Basic PLA2 From Agkistrodon Halys Pallas Venom (pdb code 4hg9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of AHV_BPA, A Basic PLA2 From Agkistrodon Halys Pallas Venom, PDB code: 4hg9:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of AHV_BPA, A Basic PLA2 From Agkistrodon Halys Pallas Venom


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of AHV_BPA, A Basic PLA2 From Agkistrodon Halys Pallas Venom within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca201 b:0.6 occ:0.77 O A:GLY32 2.2 51.6 1.0 O A:TYR28 2.3 21.5 1.0 O A:GLY30 2.4 41.4 1.0 OD2 A:ASP49 2.5 38.7 1.0 OD1 A:ASP49 3.0 36.3 1.0 CG A:ASP49 3.2 32.5 1.0 C A:GLY32 3.3 51.2 1.0 C A:TYR28 3.4 20.5 1.0 C A:GLY30 3.6 39.9 1.0 CA A:GLY32 3.8 53.3 1.0 N A:GLY30 4.1 26.9 1.0 C A:SER31 4.1 51.8 0.7 O A:HOH339 4.1 39.0 1.0 O A:SER31 4.1 55.0 0.7 N A:GLY32 4.1 54.5 1.0 CA A:TYR28 4.2 20.6 1.0 C A:CYS29 4.3 23.6 1.0 CA A:GLY30 4.4 34.5 1.0 N A:GLY33 4.4 48.1 1.0 N A:CYS29 4.4 20.6 1.0 CA A:CYS29 4.5 20.8 1.0 N A:SER31 4.6 43.4 0.7 CB A:ASP49 4.7 28.2 1.0 CB A:TYR28 4.7 20.3 1.0 CA A:GLY33 4.7 44.0 1.0 CA A:SER31 4.7 45.5 0.7 O A:CYS29 4.8 24.9 1.0 CD1 A:TYR28 4.9 24.0 1.0 CB A:SER31 5.0 38.1 0.7 O A:CYS45 5.0 22.3 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of AHV_BPA, A Basic PLA2 From Agkistrodon Halys Pallas Venom


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of AHV_BPA, A Basic PLA2 From Agkistrodon Halys Pallas Venom within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:27.1 occ:0.46 O B:GLY32 2.2 38.5 1.0 O B:TYR28 2.3 21.1 1.0 OD2 B:ASP49 2.5 32.4 1.0 O B:GLY30 2.5 35.4 1.0 OD1 B:ASP49 3.2 31.1 1.0 CG B:ASP49 3.2 28.9 1.0 C B:GLY32 3.2 38.8 1.0 C B:TYR28 3.4 20.4 1.0 N B:GLY32 3.4 40.8 1.0 C B:GLY30 3.7 34.3 1.0 CA B:GLY32 3.7 40.0 1.0 C B:SER31 3.9 40.6 1.0 CA B:TYR28 4.0 20.3 1.0 C B:CYS29 4.2 22.4 1.0 O B:HOH346 4.3 39.5 1.0 O B:CYS29 4.3 23.4 1.0 CA B:SER31 4.3 39.6 1.0 N B:CYS29 4.4 19.8 1.0 N B:GLY33 4.4 37.7 1.0 N B:GLY30 4.4 25.0 1.0 O B:HOH366 4.4 37.7 1.0 N B:SER31 4.5 37.5 1.0 O B:SER31 4.5 41.3 1.0 CA B:CYS29 4.6 20.6 1.0 O B:HOH332 4.6 37.5 1.0 CB B:TYR28 4.6 21.1 1.0 CB B:ASP49 4.7 25.3 1.0 CA B:GLY30 4.7 30.3 1.0 CA B:GLY33 4.7 35.8 1.0 O B:HOH397 4.9 46.2 1.0 CD1 B:TYR28 4.9 23.7 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of AHV_BPA, A Basic PLA2 From Agkistrodon Halys Pallas Venom


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of AHV_BPA, A Basic PLA2 From Agkistrodon Halys Pallas Venom within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca201 b:26.2 occ:0.42 O C:GLY32 2.2 45.5 1.0 O C:TYR28 2.3 25.2 1.0 OD2 C:ASP49 2.5 35.1 1.0 O C:GLY30 2.5 46.3 1.0 OD1 C:ASP49 2.9 34.2 1.0 CG C:ASP49 3.0 30.7 1.0 C C:GLY32 3.4 45.8 1.0 C C:TYR28 3.4 25.4 1.0 C C:GLY30 3.6 44.9 1.0 O C:SER31 3.8 53.5 1.0 N C:GLY30 4.1 33.2 1.0 CA C:GLY32 4.1 48.9 1.0 C C:CYS29 4.1 30.3 1.0 C C:SER31 4.1 52.3 1.0 CA C:TYR28 4.1 25.4 1.0 O C:HOH328 4.2 37.3 1.0 CA C:GLY30 4.3 40.2 1.0 N C:CYS29 4.3 25.3 1.0 O C:CYS29 4.4 30.6 1.0 N C:GLY32 4.4 51.3 1.0 CA C:CYS29 4.4 27.3 1.0 N C:GLY33 4.4 44.0 1.0 CB C:ASP49 4.5 27.3 1.0 N C:SER31 4.6 48.3 1.0 CA C:GLY33 4.6 41.7 1.0 CB C:TYR28 4.7 25.4 1.0 CA C:SER31 4.9 51.2 1.0 CD1 C:TYR28 4.9 29.0 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of AHV_BPA, A Basic PLA2 From Agkistrodon Halys Pallas Venom


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of AHV_BPA, A Basic PLA2 From Agkistrodon Halys Pallas Venom within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca201 b:34.6 occ:0.47 O D:GLY32 2.3 42.9 1.0 O D:TYR28 2.3 24.3 1.0 O D:GLY30 2.3 41.1 1.0 OD2 D:ASP49 2.4 39.0 1.0 OD1 D:ASP49 2.9 39.6 1.0 CG D:ASP49 3.0 35.0 1.0 C D:GLY32 3.3 42.8 1.0 C D:TYR28 3.3 24.2 1.0 N D:GLY32 3.5 46.4 1.0 C D:GLY30 3.5 41.1 1.0 CA D:GLY32 3.8 44.5 1.0 C D:SER31 3.9 48.0 1.0 CA D:TYR28 4.0 23.4 1.0 N D:GLY30 4.2 32.6 1.0 C D:CYS29 4.2 29.7 1.0 O D:HOH378 4.2 54.6 1.0 N D:CYS29 4.3 24.9 1.0 O D:HOH383 4.4 43.9 1.0 N D:SER31 4.4 44.9 1.0 N D:GLY33 4.4 41.7 1.0 CA D:SER31 4.4 48.7 1.0 O D:SER31 4.4 48.7 1.0 CA D:GLY30 4.5 37.7 1.0 CB D:ASP49 4.5 28.7 1.0 CA D:CYS29 4.5 26.7 1.0 CB D:TYR28 4.5 22.9 1.0 O D:CYS29 4.5 30.7 1.0 O D:HOH379 4.8 53.3 1.0 O D:HOH385 4.8 49.6 1.0 CA D:GLY33 4.8 39.5 1.0 CD1 D:TYR28 4.9 25.6 1.0 O D:CYS45 4.9 22.2 1.0

F.Zeng, L.Niu, X.Li, M.Teng. Crystal Structure of AHV_BPA, A Basic PLA2 From Agkistrodon Halys Pallas Venom To Be Published.