Calcium in PDB 7yyy: Molecular Snapshots of Drug Release From Tubulin: 1 Microsecond After Photoactivation

The structure of Molecular Snapshots of Drug Release From Tubulin: 1 Microsecond After Photoactivation, PDB code: 7yyy was solved by M.Wranik, T.Weinert, J.Standfuss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	9.49 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.53, 92.58, 83.99, 90, 96.71, 90
R / Rfree (%)	30.5 / 34.9

The structure of Molecular Snapshots of Drug Release From Tubulin: 1 Microsecond After Photoactivation also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Calcium atom in the Molecular Snapshots of Drug Release From Tubulin: 1 Microsecond After Photoactivation (pdb code 7yyy). 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 Molecular Snapshots of Drug Release From Tubulin: 1 Microsecond After Photoactivation, PDB code: 7yyy:

Calcium binding site 1 out of 1 in the Molecular Snapshots of Drug Release From Tubulin: 1 Microsecond After Photoactivation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Molecular Snapshots of Drug Release From Tubulin: 1 Microsecond After Photoactivation within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:42.0 occ:1.00 OG1 A:THR41 2.5 52.2 1.0 O A:GLY44 2.5 50.4 1.0 OD1 A:ASP39 2.6 48.3 1.0 OE2 A:GLU55 2.6 47.9 1.0 OD2 A:ASP39 2.6 50.5 1.0 O A:THR41 2.7 59.0 1.0 OE1 A:GLU55 2.8 45.0 1.0 CG A:ASP39 2.9 49.4 1.0 CD A:GLU55 3.1 41.5 1.0 C A:GLY44 3.5 48.7 1.0 CB A:THR41 3.6 57.1 1.0 C A:THR41 3.6 59.1 1.0 CA A:GLY45 4.0 46.4 1.0 CA A:THR41 4.1 57.0 1.0 N A:GLY45 4.1 44.5 1.0 OD2 A:ASP47 4.2 45.9 1.0 N A:THR41 4.4 56.5 1.0 CB A:ASP39 4.5 49.3 1.0 OD1 A:ASN50 4.5 40.3 1.0 CA A:GLY44 4.5 48.4 1.0 CZ A:PHE49 4.6 43.8 1.0 CG A:GLU55 4.6 41.1 1.0 N A:GLY44 4.6 49.9 1.0 ND2 A:ASN50 4.6 36.2 1.0 N A:ILE42 4.8 58.9 1.0 CG2 A:THR41 4.8 52.1 1.0 CE1 A:PHE49 4.8 42.9 1.0 NE2 A:HIS61 4.9 50.5 1.0

M.Wranik, T.Weinert, C.Slavov, T.Masini, A.Furrer, N.Gaillard, D.Gioia, M.Ferrarotti, D.James, H.Glover, M.Carrillo, D.Kekilli, R.Stipp, P.Skopintsev, S.Brunle, T.Muhlethaler, J.Beale, D.Gashi, K.Nass, D.Ozerov, P.Johnson, C.Cirelli, C.Bacellar, M.Braun, M.Wang, F.Dworkowski, C.Milne, A.Cavalli, J.Wachtveitl, M.Steinmetz, J.Standfuss. Watching the Release of A Photopharmacological Drug From Tubulin Using Time-Resolved Serial Crystallography Nat Commun 2023.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-023-36481-5