Chlorine in PDB 2w1p: 1.4 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 8.0

The structure of 1.4 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 8.0, PDB code: 2w1p was solved by G.Fischer, U.Kosinska-Eriksson, C.Aponte-Santamaria, M.Palmgren, C.Geijer, K.Hedfalk, S.Hohmann, B.L.De Groot, R.Neutze, K.Lindkvist-Petersson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.282 / 1.4
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	90.929, 90.929, 80.624, 90.00, 90.00, 90.00
R / Rfree (%)	16.02 / 17.85

The binding sites of Chlorine atom in the 1.4 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 8.0 (pdb code 2w1p). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 1.4 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 8.0, PDB code: 2w1p:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 1.4 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 8.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.4 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1278 b:11.5 occ:1.00 N A:GLY37 3.2 11.8 1.0 N A:ASP39 3.4 12.4 1.0 CA A:GLY37 3.4 11.9 1.0 C A:GLY37 3.4 11.7 1.0 N A:SER38 3.6 11.6 1.0 CB A:ASP39 3.7 13.1 1.0 O A:GLY37 4.0 11.7 1.0 CA A:ASP39 4.0 13.0 1.0 CG A:ASP39 4.3 14.2 1.0 C A:SER38 4.4 12.4 1.0 C A:PHE36 4.4 12.5 1.0 C A:ASP39 4.5 12.9 1.0 CA A:SER38 4.5 12.1 1.0 N A:SER40 4.6 12.4 1.0 OD2 A:ASP39 4.8 13.0 0.5 CA A:PHE36 4.9 12.8 1.0 OD1 A:ASP39 4.9 13.7 0.5

Chlorine binding site 2 out of 2 in the 1.4 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 8.0


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.4 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 8.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1279 b:22.4 occ:0.25 NH1 A:ARG195 2.5 20.8 0.5 CZ A:ARG195 3.4 19.8 0.5 NH2 A:ARG195 3.5 20.2 0.5 CZ2 A:TRP198 3.8 7.1 1.0 NE1 A:TRP198 4.0 8.4 1.0 CE2 A:TRP198 4.2 7.3 1.0 NE A:ARG195 4.6 19.0 0.5 CH2 A:TRP198 4.8 7.6 1.0

G.Fischer, U.Kosinska-Eriksson, C.Aponte-Santamaria, M.Palmgren, C.Geijer, K.Hedfalk, S.Hohmann, B.L.De Groot, R.Neutze, K.Lindkvist-Petersson. Crystal Structure of A Yeast Aquaporin at 1.15 A Reveals A Novel Gating Mechanism Plos Biol. V. 7 130 2009.
ISSN: ISSN 1544-9173
PubMed: 19529756
DOI: 10.1371/JOURNAL.PBIO.1000130