Calcium in PDB 5i29: TAF1(2) Bound to A Pyrrolopyridone Compound

The structure of TAF1(2) Bound to A Pyrrolopyridone Compound, PDB code: 5i29 was solved by Y.Tang, F.Poy, S.F.Bellon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.74 / 1.21
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.397, 59.471, 59.866, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 21.7

The binding sites of Calcium atom in the TAF1(2) Bound to A Pyrrolopyridone Compound (pdb code 5i29). 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 TAF1(2) Bound to A Pyrrolopyridone Compound, PDB code: 5i29:

Calcium binding site 1 out of 1 in the TAF1(2) Bound to A Pyrrolopyridone Compound


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of TAF1(2) Bound to A Pyrrolopyridone Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1702 b:16.9 occ:1.00 O A:ASP1635 2.3 21.5 1.0 O A:GLU1632 2.3 11.9 1.0 O A:HOH1920 2.3 22.3 1.0 O A:MET1637 2.3 23.3 1.0 O A:HOH1968 2.3 21.4 1.0 O A:HOH1948 2.3 22.4 1.0 C A:ASP1635 3.5 20.0 1.0 C A:GLU1632 3.5 11.2 1.0 C A:MET1637 3.5 23.0 1.0 OE1 A:GLU1632 4.1 23.5 1.0 N A:MET1637 4.1 23.2 1.0 CB A:THR1638 4.1 39.4 1.0 CB A:ASP1635 4.2 19.6 1.0 C A:PRO1636 4.2 20.8 1.0 CA A:GLU1632 4.2 12.7 1.0 CA A:ASP1635 4.3 19.1 1.0 N A:PRO1636 4.4 20.4 1.0 CA A:PRO1636 4.4 19.9 1.0 CA A:MET1637 4.4 23.9 1.0 O A:HOH2033 4.5 24.4 1.0 O A:HOH1852 4.5 14.2 1.0 N A:THR1638 4.5 27.0 1.0 O A:HOH2010 4.5 26.0 1.0 OG1 A:THR1638 4.5 46.2 1.0 N A:SER1633 4.5 10.9 1.0 N A:ASP1635 4.5 16.9 1.0 CG A:ASP1635 4.5 23.1 1.0 O A:SER1633 4.6 12.1 1.0 O A:PRO1636 4.6 19.7 1.0 CA A:THR1638 4.6 31.3 1.0 CA A:SER1633 4.7 10.7 1.0 OD1 A:ASP1635 4.7 22.2 1.0 CB A:GLU1632 4.7 14.1 1.0 C A:SER1633 4.7 11.0 1.0 O A:HOH1805 4.9 31.2 1.0

T.D.Crawford, V.Tsui, E.M.Flynn, S.Wang, A.M.Taylor, A.Cote, J.E.Audia, M.H.Beresini, D.J.Burdick, R.Cummings, L.A.Dakin, M.Duplessis, A.C.Good, M.C.Hewitt, H.R.Huang, H.Jayaram, J.R.Kiefer, Y.Jiang, J.Murray, C.G.Nasveschuk, E.Pardo, F.Poy, F.A.Romero, Y.Tang, J.Wang, Z.Xu, L.E.Zawadzke, X.Zhu, B.K.Albrecht, S.R.Magnuson, S.Bellon, A.G.Cochran. Diving Into the Water: Inducible Binding Conformations For BRD4, TAF1(2), BRD9, and CECR2 Bromodomains. J.Med.Chem. V. 59 5391 2016.
ISSN: ISSN 0022-2623
PubMed: 27219867
DOI: 10.1021/ACS.JMEDCHEM.6B00264