Calcium in PDB 2clp: Crystal Structure of Human Aflatoxin B1 Aldehyde Reductase Member 3

The structure of Crystal Structure of Human Aflatoxin B1 Aldehyde Reductase Member 3, PDB code: 2clp was solved by J.E.Debreczeni, B.D.Marsden, C.Johansson, K.Kavanagh, K.Guo, C.Smee, O.Gileadi, A.Turnbull, E.Papagrigoriou, F.Von Delft, A.Edwards, C.Arrowsmith, J.Weigelt, M.Sundstrom, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	164.40 / 3.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	126.963, 126.963, 490.497, 90.00, 90.00, 120.00
R / Rfree (%)	23.9 / 25.3

The binding sites of Calcium atom in the Crystal Structure of Human Aflatoxin B1 Aldehyde Reductase Member 3 (pdb code 2clp). 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 Human Aflatoxin B1 Aldehyde Reductase Member 3, PDB code: 2clp:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Human Aflatoxin B1 Aldehyde Reductase Member 3


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 Human Aflatoxin B1 Aldehyde Reductase Member 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1362 b:37.2 occ:1.00 CE1 A:HIS269 2.8 60.8 1.0 NE2 A:HIS269 3.3 61.0 1.0 OE2 A:GLU272 3.7 57.0 1.0 ND1 A:HIS269 3.8 60.2 1.0 CD2 A:HIS269 4.5 60.3 1.0 CG A:HIS269 4.7 58.8 1.0 CD A:GLU272 4.8 55.6 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Human Aflatoxin B1 Aldehyde Reductase Member 3


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 Human Aflatoxin B1 Aldehyde Reductase Member 3 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1362 b:41.9 occ:1.00 CE1 C:HIS269 2.6 59.4 1.0 NE2 C:HIS269 3.5 60.0 1.0 ND1 C:HIS269 3.6 59.3 1.0 OE2 C:GLU272 3.7 62.5 1.0 CD C:GLU272 4.6 58.8 1.0 OE1 C:GLU272 4.6 62.4 1.0 CD2 C:HIS269 4.7 58.8 1.0 CG C:HIS269 4.8 57.5 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Human Aflatoxin B1 Aldehyde Reductase Member 3


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 Human Aflatoxin B1 Aldehyde Reductase Member 3 within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca1362 b:36.0 occ:1.00 CE1 E:HIS269 2.8 60.9 1.0 OE2 E:GLU272 3.5 59.0 1.0 NE2 E:HIS269 3.6 61.0 1.0 ND1 E:HIS269 3.7 60.6 1.0 CD E:GLU272 4.5 58.1 1.0 OE1 E:GLU272 4.6 58.5 1.0 CD2 E:HIS269 4.7 60.0 1.0 CG E:HIS269 4.8 58.4 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Human Aflatoxin B1 Aldehyde Reductase Member 3


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 Human Aflatoxin B1 Aldehyde Reductase Member 3 within 5.0Å range: probe atom residue distance (Å) B Occ G:Ca1362 b:30.2 occ:1.00 CE1 G:HIS269 2.8 54.0 1.0 OE2 G:GLU272 3.0 57.3 1.0 ND1 G:HIS269 3.5 52.8 1.0 CD G:GLU272 3.8 54.9 1.0 OE1 G:GLU272 3.8 56.9 1.0 NE2 G:HIS269 3.8 54.4 1.0 CG G:HIS269 4.7 52.4 1.0 CD2 G:HIS269 4.9 53.2 1.0

J.E.Debreczeni, C.Johansson, K.Kavanagh, A.Turnbull, E.Papagrigoriou, F.Von Delft, A.Edwards, C.Arrowsmith, J.Weigelt, M.Sundstrom, U.Oppermann. Crystal Structure of Human Aflatoxin B1 Aldehyde Reductase Member 3 To Be Published.