Chlorine in PDB 6aba: The Crystal Structure of the Photoactivated State of Nonlabens Marinus Rhodopsin 3

The structure of The Crystal Structure of the Photoactivated State of Nonlabens Marinus Rhodopsin 3, PDB code: 6aba was solved by J.-H.Yun, M.Ohki, J.-H.Park, Z.Jin, W.Lee, H.Liu, J.R.H.Tame, N.Shibayama, S.-Y.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.25 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.641, 49.109, 69.176, 90.00, 110.10, 90.00
R / Rfree (%)	20.9 / 23.7

The binding sites of Chlorine atom in the The Crystal Structure of the Photoactivated State of Nonlabens Marinus Rhodopsin 3 (pdb code 6aba). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Crystal Structure of the Photoactivated State of Nonlabens Marinus Rhodopsin 3, PDB code: 6aba:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Crystal Structure of the Photoactivated State of Nonlabens Marinus Rhodopsin 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of the Photoactivated State of Nonlabens Marinus Rhodopsin 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:53.9 occ:1.00 O A:HOH439 2.5 54.8 1.0 OD1 A:ASP9 2.9 29.2 1.0 OD2 A:ASP9 2.9 39.3 1.0 OE1 A:GLN84 3.0 41.9 1.0 CG A:ASP9 3.3 39.4 1.0 CD A:GLN84 3.9 43.5 1.0 O A:HOH416 4.3 31.6 1.0 CG A:GLN84 4.4 31.3 1.0 CB A:GLN84 4.6 24.3 1.0 CB A:ASP9 4.8 28.8 1.0 NE2 A:GLN84 4.9 34.7 1.0

Chlorine binding site 2 out of 4 in the The Crystal Structure of the Photoactivated State of Nonlabens Marinus Rhodopsin 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of the Photoactivated State of Nonlabens Marinus Rhodopsin 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:52.6 occ:1.00 ND2 A:ASN98 3.1 52.9 1.0 OG1 A:THR102 3.3 50.4 1.0 CE A:LYS235 3.4 36.5 1.0 CG2 A:THR102 3.6 38.8 1.0 CD1 A:TRP99 3.7 29.6 1.0 O A:HOH422 3.8 37.8 1.0 NZ A:LYS235 3.8 40.3 1.0 CB A:THR102 3.9 36.8 1.0 NE1 A:TRP99 4.0 30.8 1.0 CB A:ALA61 4.1 27.0 1.0 CG A:ASN98 4.1 50.4 1.0 CA A:ALA61 4.1 29.6 1.0 CB A:ASN98 4.2 37.8 1.0 C15 A:RET305 4.5 44.2 1.0 C A:ASN98 4.6 35.4 1.0 C14 A:RET305 4.6 36.9 1.0 N A:ALA61 4.6 32.5 1.0 CD A:LYS235 4.7 40.1 1.0 O A:ASN98 4.7 31.5 1.0 N A:TRP99 4.7 32.9 1.0 CG A:TRP99 4.9 29.6 1.0 O A:ARG95 5.0 31.7 1.0

Chlorine binding site 3 out of 4 in the The Crystal Structure of the Photoactivated State of Nonlabens Marinus Rhodopsin 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of the Photoactivated State of Nonlabens Marinus Rhodopsin 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:53.8 occ:1.00 CL A:CL304 2.0 64.1 1.0 N A:LYS46 3.2 34.5 1.0 CB A:LYS46 3.4 36.0 1.0 CD A:PRO45 3.4 30.5 1.0 N A:PRO45 3.7 34.9 1.0 CA A:LYS46 3.9 40.3 1.0 CB A:ALA44 3.9 29.9 1.0 CB A:PRO45 4.0 47.6 1.0 CG A:PRO45 4.0 40.1 1.0 C A:PRO45 4.1 35.0 1.0 CA A:PRO45 4.1 35.6 1.0 C A:ALA44 4.3 39.0 1.0 CA A:ALA44 4.6 32.4 1.0 CG A:LYS46 4.8 46.1 1.0 CD A:LYS46 5.0 49.2 1.0

Chlorine binding site 4 out of 4 in the The Crystal Structure of the Photoactivated State of Nonlabens Marinus Rhodopsin 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of the Photoactivated State of Nonlabens Marinus Rhodopsin 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:64.1 occ:1.00 CL A:CL303 2.0 53.8 1.0 CB A:ALA44 4.0 29.9 1.0 CB A:LYS46 4.2 36.0 1.0 N A:LYS46 4.7 34.5 1.0 CD A:PRO45 4.8 30.5 1.0 CD A:LYS46 4.9 49.2 1.0 CB A:ALA253 4.9 39.2 1.0

J.-H.Yun, M.Ohki, J.-H.Park, Z.Jin, W.Lee, H.Liu, J.R.H.Tame, N.Shibayama, S.-Y.Park. The Pumping Mechanism of Nm-R3, A Light-Driven Marine Bacterial Chloride Importer in the Rhodopsin Family To Be Published.