Chlorine in PDB 2w2e: 1.15 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 3.5

The structure of 1.15 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 3.5, PDB code: 2w2e 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)	20.00 / 1.15
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	91.447, 91.447, 80.819, 90.00, 90.00, 90.00
R / Rfree (%)	14 / 16.5

The binding sites of Chlorine atom in the 1.15 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 3.5 (pdb code 2w2e). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 1.15 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 3.5, PDB code: 2w2e:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the 1.15 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 3.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.15 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 3.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1280 b:15.1 occ:1.00 N A:GLY37 3.3 15.3 1.0 N A:ASP39 3.4 15.3 1.0 CA A:GLY37 3.4 15.3 1.0 C A:GLY37 3.5 13.7 1.0 N A:SER38 3.7 13.5 1.0 CB A:ASP39 3.7 17.5 1.0 CA A:ASP39 4.0 16.8 1.0 O A:GLY37 4.0 15.4 1.0 CG A:ASP39 4.3 21.8 1.0 C A:SER38 4.4 14.9 1.0 C A:PHE36 4.5 16.6 1.0 C A:ASP39 4.5 16.4 1.0 CA A:SER38 4.6 15.4 1.0 N A:SER40 4.6 15.5 1.0 OD1 A:ASP39 4.8 25.9 1.0 OD2 A:ASP39 4.8 29.5 1.0 CA A:PHE36 4.9 16.1 1.0

Chlorine binding site 2 out of 3 in the 1.15 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 3.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.15 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 3.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1281 b:17.4 occ:0.25 NH2 A:ARG195 3.3 25.8 1.0 NH1 A:ARG195 3.6 30.0 1.0 CZ2 A:TRP198 3.7 12.5 1.0 CZ A:ARG195 3.7 31.8 1.0 NE1 A:TRP198 4.0 14.1 1.0 CE2 A:TRP198 4.1 11.9 1.0 CH2 A:TRP198 4.7 12.4 1.0 NE A:ARG195 5.0 34.5 1.0

Chlorine binding site 3 out of 3 in the 1.15 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 3.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.15 Angstrom Crystal Structure of P.Pastoris Aquaporin, AQY1, in A Closed Conformation at pH 3.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1282 b:24.2 occ:1.00 OG1 A:THR169 3.0 20.9 1.0 N A:THR169 3.2 15.8 1.0 NH2 A:ARG168 3.4 20.5 1.0 O A:HOH2101 3.4 40.1 1.0 CB A:THR169 3.7 16.6 1.0 N A:ARG168 3.7 16.3 1.0 NE A:ARG168 3.7 19.6 1.0 CB A:SER167 3.8 15.4 1.0 CB A:ARG168 3.9 17.1 1.0 CZ A:ARG168 4.0 17.9 1.0 CA A:THR169 4.1 16.6 1.0 OG A:SER167 4.1 17.5 1.0 CA A:ARG168 4.1 15.8 1.0 C A:ARG168 4.1 15.9 1.0 O A:HOH2102 4.3 23.0 0.5 C A:SER167 4.5 15.6 1.0 CG A:ARG168 4.6 18.6 1.0 CA A:SER167 4.6 15.7 1.0 CD A:ARG168 4.8 21.9 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.1.15 A Plos Biol. V. 7 E130 2009.
ISSN: ISSN 1544-9173
PubMed: 19529756
DOI: 10.1371/JOURNAL.PBIO.1000130