Chlorine in PDB 3zoj: High-Resolution Structure of Pichia Pastoris Aquaporin AQY1 at 0.88 A

The structure of High-Resolution Structure of Pichia Pastoris Aquaporin AQY1 at 0.88 A, PDB code: 3zoj was solved by U.Kosinska-Eriksson, G.Fischer, R.Friemann, G.Enkavi, E.Tajkhorshid, R.Neutze, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.15 / 0.88
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	90.763, 90.763, 80.311, 90.00, 90.00, 90.00
R / Rfree (%)	10.325 / 10.739

The binding sites of Chlorine atom in the High-Resolution Structure of Pichia Pastoris Aquaporin AQY1 at 0.88 A (pdb code 3zoj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the High-Resolution Structure of Pichia Pastoris Aquaporin AQY1 at 0.88 A, PDB code: 3zoj:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the High-Resolution Structure of Pichia Pastoris Aquaporin AQY1 at 0.88 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High-Resolution Structure of Pichia Pastoris Aquaporin AQY1 at 0.88 A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1277 b:11.4 occ:0.25 HH22 A:ARG195 2.4 11.5 0.5 NH2 A:ARG195 3.1 11.3 0.5 HZ2 A:TRP198 3.1 7.0 1.0 HH12 A:ARG195 3.2 9.7 0.5 HE1 A:TRP198 3.5 8.0 1.0 HH21 A:ARG195 3.5 10.8 0.5 CZ2 A:TRP198 3.7 7.5 1.0 NH1 A:ARG195 3.7 9.5 0.5 CZ A:ARG195 3.7 11.8 0.5 NE1 A:TRP198 3.9 9.1 1.0 CE2 A:TRP198 4.0 7.1 1.0 HH11 A:ARG195 4.5 9.9 0.5 CH2 A:TRP198 4.6 6.6 1.0 HH2 A:TRP198 4.8 6.5 1.0 NE A:ARG195 4.9 11.1 0.5

Chlorine binding site 2 out of 3 in the High-Resolution Structure of Pichia Pastoris Aquaporin AQY1 at 0.88 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High-Resolution Structure of Pichia Pastoris Aquaporin AQY1 at 0.88 A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1278 b:10.2 occ:1.00 HH11 A:ARG168 2.4 12.0 1.0 HE1 A:TRP243 2.4 10.1 1.0 HD2 A:ARG168 2.9 15.1 1.0 HA A:TYR241 3.0 10.0 1.0 NH1 A:ARG168 3.2 11.9 1.0 HB3 A:TYR241 3.2 10.5 1.0 NE1 A:TRP243 3.3 10.4 1.0 O A:ASN240 3.4 10.6 1.0 HD3 A:ARG168 3.5 14.4 1.0 HB3 A:ASN240 3.6 11.6 1.0 HH12 A:ARG168 3.6 11.8 1.0 C A:ASN240 3.6 9.9 1.0 CD A:ARG168 3.6 15.2 1.0 CA A:TYR241 3.7 10.2 1.0 N A:TYR241 3.7 9.9 1.0 CB A:TYR241 3.9 10.8 1.0 HB2 A:ASN240 3.9 11.5 1.0 HD1 A:TRP243 4.1 9.7 1.0 CZ A:ARG168 4.1 12.4 1.0 CD1 A:TRP243 4.1 9.8 1.0 CB A:ASN240 4.1 11.6 1.0 HZ2 A:TRP243 4.1 11.4 1.0 NE A:ARG168 4.2 14.3 1.0 H A:TYR241 4.2 9.9 1.0 CE2 A:TRP243 4.3 10.1 1.0 HB2 A:TYR241 4.3 10.4 1.0 CA A:ASN240 4.5 10.0 1.0 CZ2 A:TRP243 4.6 11.9 1.0 HD2 A:TYR241 4.7 11.0 1.0 HG2 A:ARG168 4.8 13.9 1.0 CG A:ARG168 4.9 14.3 1.0

Chlorine binding site 3 out of 3 in the High-Resolution Structure of Pichia Pastoris Aquaporin AQY1 at 0.88 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of High-Resolution Structure of Pichia Pastoris Aquaporin AQY1 at 0.88 A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1279 b:16.2 occ:1.00 HG1 A:THR169 2.3 18.9 0.0 H A:THR169 2.5 10.4 1.0 HH21 A:ARG168 2.6 14.9 1.0 HB2 A:SER167 2.9 11.7 1.0 OG1 A:THR169 3.0 15.1 1.0 HB2 A:ARG168 3.1 11.9 1.0 H A:ARG168 3.2 9.2 1.0 N A:THR169 3.3 10.6 1.0 HE A:ARG168 3.3 13.6 1.0 O A:HOH2212 3.3 32.7 1.0 NH2 A:ARG168 3.3 15.2 1.0 HB A:THR169 3.4 12.7 1.0 O A:HOH2163 3.5 20.2 0.5 CB A:THR169 3.6 12.5 1.0 N A:ARG168 3.7 11.1 1.0 HG A:SER167 3.7 11.8 1.0 NE A:ARG168 3.7 14.3 1.0 CB A:SER167 3.8 12.0 1.0 HH22 A:ARG168 3.9 15.2 1.0 CB A:ARG168 3.9 11.7 1.0 CZ A:ARG168 3.9 12.4 1.0 CA A:THR169 4.0 10.9 1.0 OG A:SER167 4.1 11.7 1.0 CA A:ARG168 4.1 10.8 1.0 C A:ARG168 4.1 10.3 1.0 O2 A:BOG1275 4.1 19.8 0.5 O A:HOH2164 4.2 26.2 1.0 HO2 A:BOG1275 4.3 24.2 0.0 HO3 A:BOG1275 4.3 30.1 0.0 HB3 A:SER167 4.3 11.7 1.0 HG3 A:ARG168 4.4 13.9 1.0 C A:SER167 4.4 10.0 1.0 HA A:THR169 4.5 10.8 1.0 CG A:ARG168 4.6 14.3 1.0 CA A:SER167 4.6 11.4 1.0 HB3 A:ARG168 4.7 11.8 1.0 HA A:SER167 4.7 11.0 1.0 CD A:ARG168 4.8 15.2 1.0 H A:ARG170 4.8 9.4 1.0

U.Kosinska-Eriksson, G.Fischer, R.Friemann, G.Enkavi, E.Tajkhorshid, R.Neutze. Subangstrom Resolution X-Ray Structure Details Aquaporin-Water Interactions Science V. 340 1346 2013.
ISSN: ISSN 0036-8075
PubMed: 23766328
DOI: 10.1126/SCIENCE.1234306