Chlorine in PDB 3hw9: Cation Selective Pathway of Ompf Porin Revealed By Anomalous X-Ray Diffraction

The structure of Cation Selective Pathway of Ompf Porin Revealed By Anomalous X-Ray Diffraction, PDB code: 3hw9 was solved by D.Balasundaresan, S.Raychaudhury, L.Blachowicz, B.Roux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.93 / 2.61
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	117.545, 117.545, 121.287, 90.00, 90.00, 120.00
R / Rfree (%)	22.9 / 30

The structure of Cation Selective Pathway of Ompf Porin Revealed By Anomalous X-Ray Diffraction also contains other interesting chemical elements:

Potassium

(K)

4 atoms

The binding sites of Chlorine atom in the Cation Selective Pathway of Ompf Porin Revealed By Anomalous X-Ray Diffraction (pdb code 3hw9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cation Selective Pathway of Ompf Porin Revealed By Anomalous X-Ray Diffraction, PDB code: 3hw9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cation Selective Pathway of Ompf Porin Revealed By Anomalous X-Ray Diffraction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cation Selective Pathway of Ompf Porin Revealed By Anomalous X-Ray Diffraction within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl343 b:77.0 occ:1.00 NH1 A:ARG82 3.1 48.5 1.0 O4 A:P6G341 3.1 76.2 1.0 NH2 A:ARG132 3.3 50.1 1.0 NH1 A:ARG132 3.4 44.2 1.0 O A:HOH367 3.4 55.1 1.0 NH2 A:ARG82 3.6 41.8 1.0 C3 A:P6G341 3.8 66.0 1.0 CZ A:ARG82 3.8 47.4 1.0 CZ A:ARG132 3.8 46.6 1.0 C2 A:P6G341 3.9 56.7 1.0 C5 A:P6G341 4.1 75.0 1.0 O7 A:P6G341 4.3 79.7 1.0 O1 A:P6G341 4.6 49.9 1.0 C6 A:P6G341 4.8 73.3 1.0 NH2 A:ARG42 4.9 39.8 1.0 C8 A:P6G341 5.0 78.9 1.0

Chlorine binding site 2 out of 2 in the Cation Selective Pathway of Ompf Porin Revealed By Anomalous X-Ray Diffraction


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cation Selective Pathway of Ompf Porin Revealed By Anomalous X-Ray Diffraction within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl345 b:72.2 occ:1.00 O B:HOH351 3.1 69.0 1.0 O B:HOH401 3.6 50.6 1.0 NH2 B:ARG132 3.7 44.7 1.0 NH1 B:ARG132 3.8 43.6 1.0 K B:K342 3.9 90.7 1.0 NH1 B:ARG82 4.1 38.6 1.0 O B:HOH388 4.1 48.9 1.0 CZ B:ARG132 4.3 47.6 1.0 O B:HOH371 4.7 54.7 1.0 O B:HOH350 4.7 68.3 1.0 NH2 B:ARG82 4.8 33.7 1.0 CZ B:ARG82 4.9 42.7 1.0

B.Dhakshnamoorthy, S.Raychaudhury, L.Blachowicz, B.Roux. Cation-Selective Pathway of Ompf Porin Revealed By Anomalous X-Ray Diffraction. J.Mol.Biol. V. 396 293 2010.
ISSN: ISSN 0022-2836
PubMed: 19932117
DOI: 10.1016/J.JMB.2009.11.042