Calcium in PDB 8cla: Z-SBTUBA4 Photoswitch Bound to Tubulin-Darpin D1 Complex

The structure of Z-SBTUBA4 Photoswitch Bound to Tubulin-Darpin D1 Complex, PDB code: 8cla was solved by M.Wranik, Q.Bertrand, M.W.Kepa, T.Weinert, M.Steinmetz, J.Standfuss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.23, 90.94, 82.43, 90, 96.74, 90
R / Rfree (%)	15.5 / 20.6

The structure of Z-SBTUBA4 Photoswitch Bound to Tubulin-Darpin D1 Complex also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Z-SBTUBA4 Photoswitch Bound to Tubulin-Darpin D1 Complex (pdb code 8cla). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Z-SBTUBA4 Photoswitch Bound to Tubulin-Darpin D1 Complex, PDB code: 8cla:

Calcium binding site 1 out of 1 in the Z-SBTUBA4 Photoswitch Bound to Tubulin-Darpin D1 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Z-SBTUBA4 Photoswitch Bound to Tubulin-Darpin D1 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:39.8 occ:1.00 OG1 A:THR41 2.1 46.5 1.0 O A:HOH617 2.3 33.4 1.0 OE1 A:GLU55 2.6 27.9 1.0 O A:GLY44 2.6 43.5 1.0 OD1 A:ASP39 2.6 49.5 1.0 O A:THR41 2.7 64.8 1.0 OD2 A:ASP39 2.8 40.6 1.0 OE2 A:GLU55 2.8 43.9 1.0 CD A:GLU55 2.9 42.5 1.0 CG A:ASP39 2.9 51.8 1.0 HA3 A:GLY45 3.3 50.0 1.0 CB A:THR41 3.3 54.5 1.0 C A:GLY44 3.3 60.8 1.0 HZ A:PHE49 3.5 43.2 1.0 HE1 A:HIS61 3.5 23.1 1.0 C A:THR41 3.5 57.1 1.0 HB A:THR41 3.6 54.5 1.0 H A:THR41 3.7 56.1 1.0 CA A:THR41 3.8 44.1 1.0 HD21 A:ASN50 4.0 29.2 1.0 N A:GLY45 4.0 52.3 1.0 O A:HOH619 4.0 39.9 1.0 CA A:GLY45 4.1 50.0 1.0 HA2 A:GLY44 4.1 41.7 1.0 N A:THR41 4.2 56.1 1.0 CA A:GLY44 4.3 41.7 1.0 CZ A:PHE49 4.3 43.2 1.0 CG A:GLU55 4.3 31.1 1.0 CB A:ASP39 4.4 43.0 1.0 OD2 A:ASP47 4.4 42.9 1.0 CE1 A:HIS61 4.4 23.1 1.0 OD1 A:ASN50 4.4 34.8 1.0 CG2 A:THR41 4.5 37.4 1.0 HG2 A:GLU55 4.5 31.1 1.0 HB2 A:ASP39 4.5 43.0 1.0 H A:GLY44 4.6 62.6 1.0 HG23 A:THR41 4.6 37.4 1.0 O A:HOH632 4.6 46.0 1.0 HG21 A:THR41 4.6 37.4 1.0 HA2 A:GLY45 4.6 50.0 1.0 ND2 A:ASN50 4.6 29.2 1.0 N A:ILE42 4.7 49.7 1.0 HE2 A:PHE49 4.7 39.8 1.0 N A:GLY44 4.7 62.6 1.0 HA A:THR41 4.8 44.1 1.0 H A:GLY45 4.8 52.3 1.0 HA A:ILE42 4.8 49.8 1.0 HG3 A:GLU55 4.9 31.1 1.0 HB3 A:ASP39 4.9 43.0 1.0 CE2 A:PHE49 4.9 39.8 1.0 HB2 A:GLU55 4.9 29.8 1.0 HB3 A:GLU55 5.0 29.8 1.0 CG A:ASN50 5.0 30.0 1.0

M.Wranik, M.W.Kepa, E.V.Beale, D.James, Q.Bertrand, T.Weinert, A.Furrer, H.Glover, D.Gashi, M.Carrillo, Y.Kondo, R.T.Stipp, G.Khusainov, K.Nass, D.Ozerov, C.Cirelli, P.J.M.Johnson, F.Dworkowski, J.H.Beale, S.Stubbs, M.Schneider, K.Krauskopf, L.Gao, O.Thorn-Seshold, C.Bostedt, C.Bacellar, M.O.Steinmetz, C.Milne, J.Standfuss. A Multi-Reservoir Extruder For Time-Resolved Serial Protein Crystallography and Compound Screening at X-Ray Free Electron Lasers To Be Published.