Calcium in PDB 2b96: Third Calcium Ion Found in An Inhibitor Bound Phospholipase A2

All present enzymatic activity of Third Calcium Ion Found in An Inhibitor Bound Phospholipase A2:
3.1.1.4;

The structure of Third Calcium Ion Found in An Inhibitor Bound Phospholipase A2, PDB code: 2b96 was solved by K.Sekar, D.Velmurugan, T.Yamane, M.D.Tsai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.70
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	46.190, 46.190, 102.860, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 22.1

The structure of Third Calcium Ion Found in An Inhibitor Bound Phospholipase A2 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Third Calcium Ion Found in An Inhibitor Bound Phospholipase A2 (pdb code 2b96). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Third Calcium Ion Found in An Inhibitor Bound Phospholipase A2, PDB code: 2b96:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Third Calcium Ion Found in An Inhibitor Bound Phospholipase A2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Third Calcium Ion Found in An Inhibitor Bound Phospholipase A2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca124 b:15.2 occ:1.00 O A:TYR28 2.3 15.9 1.0 O A:GLY30 2.3 20.9 1.0 OD2 A:ASP49 2.5 15.2 1.0 O1 A:ANN501 2.5 25.5 1.0 O A:GLY32 2.5 21.0 1.0 OD1 A:ASP49 2.5 15.3 1.0 O A:HOH203 2.6 19.5 1.0 CG A:ASP49 2.8 17.2 1.0 C1 A:ANN501 3.3 31.9 1.0 O2 A:ANN501 3.4 41.5 1.0 C A:TYR28 3.5 14.3 1.0 O1 A:TRS604 3.5 42.9 1.0 C A:GLY30 3.5 23.1 1.0 C A:GLY32 3.6 23.0 1.0 N A:GLY30 3.8 19.9 1.0 N A:GLY32 3.8 28.0 1.0 O A:HOH204 4.1 22.9 1.0 C A:LEU31 4.2 29.0 1.0 CA A:TYR28 4.2 14.2 1.0 CA A:GLY32 4.3 24.5 1.0 CB A:ASP49 4.3 12.9 1.0 CA A:GLY30 4.4 22.1 1.0 N A:LEU31 4.5 26.5 1.0 CA A:LEU31 4.5 29.2 1.0 N A:CYS29 4.5 16.4 1.0 C A:CYS29 4.6 19.3 1.0 CA A:CYS29 4.6 15.9 1.0 N A:GLY33 4.6 23.1 1.0 CB A:TYR28 4.6 12.6 1.0 C2 A:ANN501 4.7 32.4 1.0 OH A:TYR69 4.7 34.0 1.0 O A:HOH266 4.7 52.6 1.0 O A:HOH218 4.8 29.7 1.0 CA A:GLY33 4.8 22.9 1.0 O A:LEU31 4.9 31.0 1.0 C1 A:TRS604 4.9 41.6 1.0 O A:CYS45 4.9 12.8 1.0

Calcium binding site 2 out of 3 in the Third Calcium Ion Found in An Inhibitor Bound Phospholipase A2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Third Calcium Ion Found in An Inhibitor Bound Phospholipase A2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca125 b:19.5 occ:1.00 OD1 A:ASN71 2.3 18.2 1.0 O A:ASN72 2.3 16.9 1.0 O A:HOH317 2.5 45.7 1.0 OE1 A:GLU92 2.5 22.0 1.0 O A:HOH226 2.5 23.2 1.0 O A:HOH233 2.6 29.3 1.0 C A:ASN72 3.4 17.5 1.0 CG A:ASN71 3.5 17.8 1.0 N A:ASN72 3.6 16.1 1.0 CD A:GLU92 3.7 23.0 1.0 CA A:ASN72 4.0 18.0 1.0 C A:ASN71 4.1 16.0 1.0 ND2 A:ASN71 4.2 20.2 1.0 CB A:GLU92 4.4 20.5 1.0 CB A:ASN72 4.4 21.4 1.0 CA A:ASN71 4.5 17.0 1.0 N A:TYR73 4.5 14.7 1.0 CG A:GLU92 4.6 23.9 1.0 CB A:ASN71 4.6 16.4 1.0 OE2 A:GLU92 4.6 21.2 1.0 O A:ASN71 4.8 16.2 1.0 O A:HOH208 4.8 53.5 1.0 O A:HOH253 4.9 13.9 1.0 CA A:TYR73 4.9 14.6 1.0

Calcium binding site 3 out of 3 in the Third Calcium Ion Found in An Inhibitor Bound Phospholipase A2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Third Calcium Ion Found in An Inhibitor Bound Phospholipase A2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca126 b:19.4 occ:1.00 O1 A:TRS601 2.3 28.7 1.0 O A:HOH223 2.3 19.7 1.0 OXT A:CYS123 2.3 30.0 1.0 O2 A:TRS601 2.6 28.1 1.0 O A:CYS123 2.9 28.6 1.0 C A:CYS123 2.9 29.0 1.0 C1 A:TRS601 3.5 28.0 1.0 C2 A:TRS601 3.7 28.6 1.0 C A:TRS601 4.0 29.9 1.0 N A:TRS601 4.2 28.4 1.0 O A:HOH240 4.4 40.7 1.0 CA A:CYS123 4.4 29.5 1.0 O A:HOH284 4.4 35.2 1.0 O A:HOH224 4.7 22.6 1.0 CA A:GLY35 4.8 16.3 1.0

K.Sekar, D.Gayathri, D.Velmurugan, J.Jeyakanthan, T.Yamane, M.J.Poi, M.D.Tsai. Third Calcium Ion Found in An Inhibitor Bound Phospholipase A2 Acta Crystallogr.,Sect.D V. 62 392 2006.
ISSN: ISSN 0907-4449
PubMed: 16552140
DOI: 10.1107/S0907444906001612