Chlorine in PDB 4etc: Lysozyme, Room Temperature, 24 Kgy Dose

All present enzymatic activity of Lysozyme, Room Temperature, 24 Kgy Dose:
3.2.1.17;

The structure of Lysozyme, Room Temperature, 24 Kgy Dose, PDB code: 4etc was solved by S.Boutet, L.Lomb, G.Williams, T.Barends, A.Aquila, R.B.Doak, U.Weierstall, D.Deponte, J.Steinbrener, R.Shoeman, M.Messerschmidt, A.Barty, T.White, S.Kassemeyer, R.Kirian, M.Seibert, P.Montanez, C.Kenney, R.Herbst, P.Hart, J.Pines, G.Haller, S.Gruner, H.Philllip, M.Tate, M.Hromalik, L.Koerner, N.Van Bakel, J.Morse, W.Ghonsalves, D.Arnlund, M.Bogan, C.Calemann, R.Fromme, C.Hampton, M.Hunter, L.Johansson, G.Katona, C.Kupitz, M.Liang, A.Martin, K.Nass, L.Redecke, F.Stellato, N.Timneanu, D.Wang, N.Zatsepin, D.Schafer, K.Defever, R.Neutze, P.Fromme, J.Spence, H.Chapman, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.40 / 1.91
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.290, 79.290, 38.120, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 20

The structure of Lysozyme, Room Temperature, 24 Kgy Dose also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Lysozyme, Room Temperature, 24 Kgy Dose (pdb code 4etc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Lysozyme, Room Temperature, 24 Kgy Dose, PDB code: 4etc:

Chlorine binding site 1 out of 1 in the Lysozyme, Room Temperature, 24 Kgy Dose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Lysozyme, Room Temperature, 24 Kgy Dose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:24.9 occ:1.00 OH A:TYR23 3.0 13.7 1.0 CE2 A:TYR23 3.6 14.2 1.0 CZ A:TYR23 3.6 13.2 1.0 CA A:GLY104 4.0 13.7 1.0 O A:HOH311 4.4 25.1 1.0 O A:ARG21 4.6 17.9 1.0 N A:GLY104 4.7 13.1 1.0 CE1 A:TYR23 4.9 14.5 1.0 CD2 A:TYR23 4.9 13.1 1.0

S.Boutet, L.Lomb, G.J.Williams, T.R.Barends, A.Aquila, R.B.Doak, U.Weierstall, D.P.Deponte, J.Steinbrener, R.L.Shoeman, M.Messerschmidt, A.Barty, T.A.White, S.Kassemeyer, R.A.Kirian, M.M.Seibert, P.A.Montanez, C.Kenney, R.Herbst, P.Hart, J.Pines, G.Haller, S.M.Gruner, H.T.Philipp, M.W.Tate, M.Hromalik, L.J.Koerner, N.Van Bakel, J.Morse, W.Ghonsalves, D.Arnlund, M.J.Bogan, C.Caleman, R.Fromme, C.Y.Hampton, M.S.Hunter, L.C.Johansson, G.Katona, C.Kupitz, M.Liang, A.V.Martin, K.Nass, L.Redecke, F.Stellato, N.Timneanu, D.Wang, N.A.Zatsepin, D.Schafer, J.Defever, R.Neutze, P.Fromme, J.C.Spence, H.N.Chapman, I.Schlichting. High-Resolution Protein Structure Determination By Serial Femtosecond Crystallography. Science V. 337 362 2012.
ISSN: ISSN 0036-8075
PubMed: 22653729
DOI: 10.1126/SCIENCE.1217737