Calcium in PDB 1kqu: Human Phospholipase A2 Complexed with A Substrate Anologue

All present enzymatic activity of Human Phospholipase A2 Complexed with A Substrate Anologue:
3.1.1.4;

The structure of Human Phospholipase A2 Complexed with A Substrate Anologue, PDB code: 1kqu was solved by J.D.Tyndall, J.L.Martin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.10
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	76.550, 76.550, 93.460, 90.00, 90.00, 120.00
R / Rfree (%)	20.9 / 24

The binding sites of Calcium atom in the Human Phospholipase A2 Complexed with A Substrate Anologue (pdb code 1kqu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Human Phospholipase A2 Complexed with A Substrate Anologue, PDB code: 1kqu:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Human Phospholipase A2 Complexed with A Substrate Anologue


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Phospholipase A2 Complexed with A Substrate Anologue within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:23.9 occ:1.00 O A:HIS27 2.4 21.0 1.0 O A:GLY31 2.4 26.0 1.0 O A:GLY29 2.5 18.9 1.0 O2 A:BR4501 2.5 21.9 1.0 O1 A:BR4501 2.5 18.1 1.0 OD2 A:ASP48 2.5 23.9 1.0 OD1 A:ASP48 2.7 25.1 1.0 CG A:ASP48 2.9 23.5 1.0 C13 A:BR4501 3.4 17.9 1.0 C A:HIS27 3.6 21.2 1.0 C A:GLY31 3.6 26.8 1.0 C25 A:BR4501 3.6 20.1 1.0 C A:GLY29 3.6 17.1 1.0 N A:GLY29 3.9 18.0 1.0 N1 A:BR4501 3.9 17.2 1.0 C14 A:BR4501 3.9 17.6 1.0 N A:GLY31 4.0 24.9 1.0 C23 A:BR4501 4.0 17.2 1.0 O A:HOH253 4.1 43.3 1.0 CA A:GLY31 4.3 26.4 1.0 O A:HOH238 4.3 58.2 1.0 C A:VAL30 4.4 22.8 1.0 C A:CYS28 4.4 19.7 1.0 CA A:GLY29 4.4 16.9 1.0 CB A:ASP48 4.4 23.8 1.0 C24 A:BR4501 4.4 18.6 1.0 OT3 A:BR4501 4.4 22.1 1.0 CA A:HIS27 4.4 23.4 1.0 C12 A:BR4501 4.5 17.4 1.0 N A:CYS28 4.5 21.1 1.0 CA A:CYS28 4.5 20.3 1.0 N A:VAL30 4.6 18.2 1.0 N A:GLY32 4.7 28.3 1.0 CA A:VAL30 4.8 19.8 1.0 CB A:HIS27 4.8 23.6 1.0 O A:HOH214 4.8 24.8 1.0 O A:VAL30 4.9 25.2 1.0 O A:CYS44 4.9 24.3 1.0 CA A:GLY32 4.9 33.1 1.0

Calcium binding site 2 out of 2 in the Human Phospholipase A2 Complexed with A Substrate Anologue


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Human Phospholipase A2 Complexed with A Substrate Anologue within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:28.7 occ:1.00 O A:HOH232 2.3 24.6 1.0 OD1 A:ASN114 2.4 28.5 1.0 O A:HOH225 2.5 29.3 1.0 O A:GLY25 2.5 23.6 1.0 O A:TYR112 2.5 28.0 1.0 O A:PHE23 2.6 21.9 1.0 CG A:ASN114 3.5 29.9 1.0 C A:PHE23 3.5 19.4 1.0 C A:GLY25 3.5 22.9 1.0 C A:TYR112 3.6 26.9 1.0 O A:TYR24 4.0 22.5 1.0 ND2 A:ASN114 4.1 33.1 1.0 C A:TYR24 4.1 21.3 1.0 N A:ASN114 4.2 31.4 1.0 CA A:PHE23 4.2 20.7 1.0 CB A:TYR112 4.3 25.1 1.0 N A:CYS26 4.3 23.0 1.0 CA A:CYS26 4.3 23.9 1.0 N A:GLY25 4.3 23.5 1.0 CA A:TYR112 4.4 25.9 1.0 N A:TYR24 4.5 18.5 1.0 CA A:GLY25 4.5 22.8 1.0 N A:TYR112 4.5 25.4 1.0 O A:HOH219 4.5 40.0 1.0 CB A:ASN114 4.6 31.8 1.0 CA A:ASN114 4.6 32.5 1.0 O A:CYS28 4.6 20.2 1.0 C A:SER113 4.6 31.3 1.0 CB A:PHE23 4.6 19.9 1.0 N A:SER113 4.7 28.9 1.0 C A:CYS26 4.7 23.4 1.0 CA A:TYR24 4.8 19.4 1.0 O A:HOH238 4.8 58.2 1.0 CA A:SER113 4.8 30.2 1.0 O A:HOH230 4.9 31.2 1.0

K.A.Hansford, R.C.Reid, C.I.Clark, J.D.Tyndall, M.W.Whitehouse, T.Guthrie, R.P.Mcgeary, K.Schafer, J.L.Martin, D.P.Fairlie. D-Tyrosine As A Chiral Precusor to Potent Inhibitors of Human Nonpancreatic Secretory Phospholipase A2 (Iia) with Antiinflammatory Activity. Chembiochem V. 4 181 2003.
ISSN: ISSN 1439-4227
PubMed: 12616631
DOI: 10.1002/CBIC.200390029