Calcium in PDB 4nre: The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic

All present enzymatic activity of The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic:
1.13.11.33;

The structure of The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic, PDB code: 4nre was solved by M.J.Kobe, D.B.Neau, C.E.Mitchell, S.G.Bartlett, M.E.Newcomer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.95 / 2.63
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	155.794, 155.794, 263.219, 90.00, 90.00, 120.00
R / Rfree (%)	16.3 / 20.3

The structure of The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Calcium atom in the The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic (pdb code 4nre). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic, PDB code: 4nre:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca716 b:63.6 occ:1.00 O A:GLY15 2.3 81.2 1.0 OD1 A:ASP85 2.4 79.2 1.0 O A:GLY17 2.4 86.0 1.0 O A:HOH828 2.4 54.0 1.0 O A:ALA86 2.5 76.5 1.0 C A:GLY15 3.3 81.0 1.0 HA2 A:GLY15 3.4 0.9 1.0 O A:HOH875 3.5 50.4 1.0 CG A:ASP85 3.5 82.2 1.0 C A:GLY17 3.6 85.3 1.0 C A:ALA86 3.7 72.4 1.0 HA A:THR18 3.7 88.5 1.0 CA A:GLY15 3.7 84.1 1.0 HA3 A:GLY15 3.9 0.9 1.0 HB3 A:ALA86 4.1 85.1 1.0 OD2 A:ASP85 4.1 85.2 1.0 N A:ALA86 4.2 73.2 1.0 HB A:THR18 4.2 84.3 1.0 HZ3 A:TRP109 4.2 86.2 1.0 N A:GLY17 4.2 82.6 1.0 H A:ALA86 4.3 87.8 1.0 HA A:TRP87 4.3 85.4 1.0 C A:ASP85 4.3 75.3 1.0 H A:GLY17 4.4 99.1 1.0 C A:ALA16 4.4 72.5 1.0 CA A:ALA86 4.4 70.4 1.0 N A:ALA16 4.4 75.6 1.0 N A:THR18 4.4 77.7 1.0 CA A:THR18 4.4 73.7 1.0 O A:HOH1128 4.5 38.3 1.0 CA A:GLY17 4.5 87.7 1.0 O A:ASP85 4.6 73.2 1.0 HA A:ASP85 4.6 0.3 1.0 O A:ALA16 4.7 68.6 1.0 CB A:ALA86 4.7 70.9 1.0 CB A:ASP85 4.8 83.5 1.0 N A:TRP87 4.8 71.7 1.0 CB A:THR18 4.8 70.2 1.0 CA A:ASP85 4.8 84.5 1.0 CA A:ALA16 4.9 70.2 1.0 HG1 A:THR18 4.9 85.8 1.0 HA3 A:GLY17 4.9 0.2 1.0 HA A:ALA16 4.9 84.3 1.0

Calcium binding site 2 out of 2 in the The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca717 b:87.7 occ:1.00 O A:ASN40 2.3 93.4 1.0 OE1 A:GLU44 2.3 0.9 1.0 OD1 A:ASP39 2.4 0.8 1.0 O A:HOH895 2.4 68.8 1.0 O A:GLY42 2.6 0.9 1.0 CD A:GLU44 3.2 0.5 1.0 OE2 A:GLU44 3.2 0.1 1.0 C A:ASN40 3.5 95.7 1.0 CG A:ASP39 3.6 0.8 1.0 HZ1 A:LYS21 3.7 0.8 1.0 C A:GLY42 3.8 0.2 1.0 H A:ASN40 3.8 0.7 1.0 N A:ASN40 4.0 98.9 1.0 HZ2 A:LYS21 4.0 0.8 1.0 HA A:ASP39 4.1 0.5 1.0 H A:GLY42 4.1 0.3 1.0 N A:GLY42 4.1 0.4 1.0 HA A:LEU41 4.2 0.2 1.0 HA A:LYS43 4.2 0.2 1.0 OD2 A:ASP39 4.2 0.6 1.0 NZ A:LYS21 4.3 95.7 1.0 C A:LEU41 4.4 99.5 1.0 C A:ASP39 4.4 99.9 1.0 CA A:ASN40 4.4 97.5 1.0 N A:LEU41 4.5 0.0 1.0 CA A:LEU41 4.5 0.2 1.0 CA A:GLY42 4.6 0.2 1.0 CA A:ASP39 4.6 96.2 1.0 HZ3 A:LYS21 4.6 0.8 1.0 CG A:GLU44 4.6 98.6 1.0 CB A:ASP39 4.7 0.4 1.0 H A:GLU44 4.7 0.3 1.0 N A:LYS43 4.8 0.0 1.0 HG2 A:GLU44 4.8 0.3 1.0 CA A:LYS43 4.8 0.3 1.0 O A:LEU41 4.9 95.2 1.0 HG3 A:GLU44 5.0 0.3 1.0 HA2 A:GLY42 5.0 0.7 1.0

M.J.Kobe, D.B.Neau, C.E.Mitchell, S.G.Bartlett, M.E.Newcomer. The Structure of Human 15-Lipoxygenase-2 with A Substrate Mimic. J.Biol.Chem. V. 289 8562 2014.
ISSN: ISSN 0021-9258
PubMed: 24497644
DOI: 10.1074/JBC.M113.543777