Zinc in PDB 5hqd: Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography

The structure of Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography, PDB code: 5hqd was solved by C.G.Roesser, R.Agarwal, M.Allaire, R.Alonso-Mori, B.Andi, J.F.R.Bachega, M.Bommer, A.S.Brewster, M.C.Browne, R.Chatterjee, E.Cho, A.E.Cohen, M.Cowan, S.Datwani, V.L.Davidson, J.Defever, B.Eaton, R.Ellson, Y.Feng, L.P.Ghislain, J.M.Glownia, G.Han, J.Hattne, J.Hellmich, A.Heroux, M.Ibrahim, J.Kern, A.Kuczewski, H.T.Lemke, P.Liu, L.Majlof, W.M.Mcclintock, S.Myers, S.Nelsen, J.Olechno, A.M.Orville, N.K.Sauter, A.S.Soares, M.S.Soltis, H.Song, R.G.Stearns, R.Tran, Y.Tsai, M.Uervirojnangkoorn, C.M.Wilmot, V.Yachandra, J.Yano, E.T.Yukl, D.Zhu, A.Zouni, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.29 / 2.52
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.707, 92.707, 129.524, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 28.8

The structure of Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography also contains other interesting chemical elements:

Calcium

(Ca)

5 atoms

The binding sites of Zinc atom in the Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography (pdb code 5hqd). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography, PDB code: 5hqd:

Zinc binding site 1 out of 1 in the Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn406 b:3.9 occ:0.75 OE2 A:GLU166 1.6 10.8 1.0 NE2 A:HIS146 2.1 9.5 1.0 NE2 A:HIS142 2.2 7.8 1.0 CD A:GLU166 2.5 11.1 1.0 O A:HOH513 2.7 8.1 1.0 OE1 A:GLU166 2.7 12.0 1.0 CE1 A:HIS142 3.0 7.7 1.0 CD2 A:HIS146 3.1 9.5 1.0 CE1 A:HIS146 3.1 9.5 1.0 CD2 A:HIS142 3.3 7.7 1.0 O A:HOH507 3.9 22.9 1.0 CG A:GLU166 3.9 10.5 1.0 NE2 A:HIS231 4.1 10.4 1.0 OE1 A:GLU143 4.1 7.8 1.0 ND1 A:HIS146 4.2 9.3 1.0 ND1 A:HIS142 4.2 7.6 1.0 CG A:HIS146 4.2 9.4 1.0 CG A:HIS142 4.4 7.5 1.0 CB A:GLU166 4.4 10.2 1.0 CA A:GLU166 4.6 9.9 1.0 CB A:SER169 4.7 9.3 1.0 OE2 A:GLU143 4.7 8.6 1.0 CD2 A:HIS231 4.8 10.4 1.0 CD A:GLU143 4.8 8.0 1.0 OG A:SER169 4.8 9.4 1.0

C.G.Roessler, R.Agarwal, M.Allaire, R.Alonso-Mori, B.Andi, J.F.Bachega, M.Bommer, A.S.Brewster, M.C.Browne, R.Chatterjee, E.Cho, A.E.Cohen, M.Cowan, S.Datwani, V.L.Davidson, J.Defever, B.Eaton, R.Ellson, Y.Feng, L.P.Ghislain, J.M.Glownia, G.Han, J.Hattne, J.Hellmich, A.Heroux, M.Ibrahim, J.Kern, A.Kuczewski, H.T.Lemke, P.Liu, L.Majlof, W.M.Mcclintock, S.Myers, S.Nelsen, J.Olechno, A.M.Orville, N.K.Sauter, A.S.Soares, S.M.Soltis, H.Song, R.G.Stearns, R.Tran, Y.Tsai, M.Uervirojnangkoorn, C.M.Wilmot, V.Yachandra, J.Yano, E.T.Yukl, D.Zhu, A.Zouni. Acoustic Injectors For Drop-on-Demand Serial Femtosecond Crystallography. Structure V. 24 631 2016.
ISSN: ISSN 0969-2126
PubMed: 26996959
DOI: 10.1016/J.STR.2016.02.007