Chlorine in PDB 2jag: L1-Intermediate of Halorhodopsin T203V

The structure of L1-Intermediate of Halorhodopsin T203V, PDB code: 2jag was solved by W.Gmelin, K.Zeth, R.Efremov, J.Heberle, J.Tittor, D.Oesterhelt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.93
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	95.042, 95.042, 157.674, 90.00, 90.00, 120.00
R / Rfree (%)	23.7 / 26.1

The binding sites of Chlorine atom in the L1-Intermediate of Halorhodopsin T203V (pdb code 2jag). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the L1-Intermediate of Halorhodopsin T203V, PDB code: 2jag:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the L1-Intermediate of Halorhodopsin T203V


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of L1-Intermediate of Halorhodopsin T203V within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:36.3 occ:0.60 CL A:CL501 0.0 36.3 0.6 CL A:CL501 0.3 20.8 0.4 OG A:SER115 2.8 27.7 0.6 O A:HOH2019 2.9 50.1 0.6 OG1 A:THR111 3.1 23.6 0.4 O A:HOH2006 3.2 18.3 0.6 O A:HOH2020 3.2 52.2 0.4 OG A:SER115 3.3 31.7 0.4 CG2 A:THR111 3.4 24.8 0.6 CB A:SER115 3.6 28.8 0.4 CB A:SER115 3.6 25.7 0.6 CE A:LYS242 3.6 23.9 0.4 CE A:LYS242 3.6 32.9 0.6 CB A:THR111 3.8 25.8 0.4 CB A:SER76 3.8 25.2 1.0 NZ A:LYS242 3.8 22.6 0.4 CB A:THR111 3.9 25.8 0.6 CA A:SER73 3.9 25.5 1.0 O A:THR111 4.0 26.0 0.4 CD1 A:TRP112 4.0 20.9 0.6 OG A:SER76 4.1 25.3 1.0 O A:THR111 4.1 24.8 0.6 CG1 A:VAL72 4.1 24.6 1.0 C A:THR111 4.2 25.7 0.4 C A:THR111 4.2 24.6 0.6 N A:SER73 4.2 23.1 1.0 O A:VAL72 4.3 20.2 1.0 N A:TRP112 4.4 23.8 0.6 C A:VAL72 4.4 23.8 1.0 NZ A:LYS242 4.5 35.1 0.6 O A:HOH2007 4.5 47.3 0.4 CD1 A:TRP112 4.5 25.6 0.4 CB A:SER73 4.5 24.5 1.0 N A:TRP112 4.6 26.0 0.4 C15 A:RET900 4.6 35.9 0.6 CA A:THR111 4.6 26.0 0.4 CA A:TRP112 4.6 23.0 0.6 NE1 A:TRP112 4.7 20.7 0.6 CD A:LYS242 4.7 31.0 0.6 CA A:THR111 4.7 25.1 0.6 O A:HOH2008 4.7 40.2 0.6 CD A:LYS242 4.8 24.0 0.4 OG A:SER73 4.8 28.0 1.0 CA A:TRP112 4.9 25.4 0.4 CA A:SER115 4.9 29.3 0.4 CA A:SER115 4.9 28.0 0.6 O A:HOH2039 4.9 24.4 0.4 C15 A:RET900 5.0 22.0 0.4 C A:SER73 5.0 25.9 1.0 CG2 A:THR111 5.0 26.1 0.4 O A:SER73 5.0 23.3 1.0 CB A:VAL72 5.0 24.2 1.0

Chlorine binding site 2 out of 4 in the L1-Intermediate of Halorhodopsin T203V


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of L1-Intermediate of Halorhodopsin T203V within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:20.8 occ:0.40 CL A:CL501 0.0 20.8 0.4 CL A:CL501 0.3 36.3 0.6 OG A:SER115 2.7 27.7 0.6 O A:HOH2019 2.7 50.1 0.6 O A:HOH2020 3.0 52.2 0.4 OG1 A:THR111 3.0 23.6 0.4 OG A:SER115 3.2 31.7 0.4 O A:HOH2006 3.2 18.3 0.6 CG2 A:THR111 3.5 24.8 0.6 CB A:SER115 3.5 28.8 0.4 CB A:SER115 3.5 25.7 0.6 CE A:LYS242 3.6 23.9 0.4 CE A:LYS242 3.6 32.9 0.6 CD1 A:TRP112 3.7 20.9 0.6 NZ A:LYS242 3.7 22.6 0.4 CB A:THR111 3.7 25.8 0.4 O A:THR111 3.9 26.0 0.4 CB A:THR111 3.9 25.8 0.6 CB A:SER76 3.9 25.2 1.0 C A:THR111 4.0 25.7 0.4 C A:THR111 4.0 24.6 0.6 O A:THR111 4.0 24.8 0.6 OG A:SER76 4.2 25.3 1.0 N A:TRP112 4.2 23.8 0.6 CD1 A:TRP112 4.2 25.6 0.4 CA A:SER73 4.2 25.5 1.0 NZ A:LYS242 4.3 35.1 0.6 NE1 A:TRP112 4.3 20.7 0.6 N A:TRP112 4.3 26.0 0.4 CG1 A:VAL72 4.3 24.6 1.0 CA A:TRP112 4.4 23.0 0.6 C15 A:RET900 4.4 35.9 0.6 O A:HOH2007 4.5 47.3 0.4 CA A:THR111 4.5 26.0 0.4 N A:SER73 4.6 23.1 1.0 CA A:TRP112 4.6 25.4 0.4 CA A:THR111 4.6 25.1 0.6 O A:VAL72 4.7 20.2 1.0 O A:HOH2008 4.7 40.2 0.6 CD A:LYS242 4.7 31.0 0.6 O A:HOH2039 4.7 24.4 0.4 C15 A:RET900 4.7 22.0 0.4 C A:VAL72 4.8 23.8 1.0 CG A:TRP112 4.8 22.4 0.6 CB A:SER73 4.8 24.5 1.0 CD A:LYS242 4.8 24.0 0.4 NE1 A:TRP112 4.9 24.4 0.4 CA A:SER115 4.9 29.3 0.4 CA A:SER115 4.9 28.0 0.6 O A:HOH2018 5.0 19.6 0.6 CG2 A:THR111 5.0 26.1 0.4

Chlorine binding site 3 out of 4 in the L1-Intermediate of Halorhodopsin T203V


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of L1-Intermediate of Halorhodopsin T203V within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:55.8 occ:0.60 CL A:CL502 0.0 55.8 0.6 CL A:CL502 0.4 42.1 0.4 NE2 A:GLN105 3.0 30.8 1.0 NH2 A:ARG24 3.2 65.5 1.0 CD A:ARG103 3.4 46.2 1.0 NH1 A:ARG103 3.7 53.7 1.0 CG A:GLN105 3.7 29.7 1.0 CD2 A:LEU29 3.8 37.1 1.0 CD A:GLN105 3.8 29.4 1.0 CZ A:ARG24 3.9 64.8 1.0 CD1 A:LEU29 3.9 36.4 1.0 CG2 A:VAL86 3.9 28.5 1.0 CG A:LEU29 4.0 38.8 1.0 CG1 A:VAL86 4.0 30.0 1.0 CG A:ARG103 4.1 43.1 1.0 NE A:ARG103 4.3 49.6 1.0 NE A:ARG24 4.3 63.7 1.0 CZ A:ARG103 4.4 52.5 1.0 CD1 A:LEU33 4.4 25.1 1.0 CB A:VAL86 4.6 28.6 1.0 NH1 A:ARG24 4.6 65.9 1.0 O A:LEU80 4.9 23.8 1.0 CB A:GLN105 4.9 27.9 1.0

Chlorine binding site 4 out of 4 in the L1-Intermediate of Halorhodopsin T203V


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of L1-Intermediate of Halorhodopsin T203V within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:42.1 occ:0.40 CL A:CL502 0.0 42.1 0.4 CL A:CL502 0.4 55.8 0.6 NH2 A:ARG24 2.8 65.5 1.0 NE2 A:GLN105 3.1 30.8 1.0 CZ A:ARG24 3.5 64.8 1.0 CD2 A:LEU29 3.7 37.1 1.0 CD A:ARG103 3.7 46.2 1.0 NH1 A:ARG103 3.8 53.7 1.0 CG A:LEU29 3.8 38.8 1.0 CD1 A:LEU29 3.8 36.4 1.0 CG A:GLN105 4.0 29.7 1.0 CD A:GLN105 4.0 29.4 1.0 CG2 A:VAL86 4.0 28.5 1.0 NE A:ARG24 4.0 63.7 1.0 CD1 A:LEU33 4.1 25.1 1.0 NH1 A:ARG24 4.2 65.9 1.0 CG1 A:VAL86 4.3 30.0 1.0 CG A:ARG103 4.4 43.1 1.0 NE A:ARG103 4.5 49.6 1.0 CZ A:ARG103 4.5 52.5 1.0 O A:LEU80 4.7 23.8 1.0 CB A:VAL86 4.8 28.6 1.0

W.Gmelin, K.Zeth, R.Efremov, J.Heberle, J.Tittor, D.Oesterhelt. The Crystal Structure of the L1 Intermediate of Halorhodopsin at 1.9 Angstroms Resolution. Photochem. Photobiol. V. 83 369 2007.
ISSN: ISSN 0031-8655
PubMed: 17117890
DOI: 10.1562/2006-06-23-RA-947