Chlorine in PDB 2jaf: Ground State of Halorhodopsin T203V

The structure of Ground State of Halorhodopsin T203V, PDB code: 2jaf 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 / 1.70
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	94.473, 94.473, 157.137, 90.00, 90.00, 120.00
R / Rfree (%)	23.8 / 26.4

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

Chlorine binding site 1 out of 2 in the Ground State 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 Ground State of Halorhodopsin T203V within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:25.6 occ:1.00 O A:HOH2026 3.0 38.6 1.0 OG1 A:THR111 3.1 23.4 0.5 OG A:SER115 3.1 26.4 1.0 O A:HOH2058 3.1 25.8 1.0 CG2 A:THR111 3.4 21.7 0.5 CB A:SER115 3.5 24.2 1.0 CE A:LYS242 3.5 26.8 1.0 NZ A:LYS242 3.7 25.6 1.0 CB A:THR111 3.8 23.9 0.5 CB A:SER76 3.8 22.5 1.0 CB A:THR111 3.8 23.6 0.5 CD1 A:TRP112 3.9 20.9 1.0 O A:THR111 4.0 21.6 0.5 C A:THR111 4.1 21.9 0.5 O A:THR111 4.1 21.5 0.5 C A:THR111 4.1 22.0 0.5 CA A:SER73 4.1 21.6 1.0 OG A:SER76 4.1 25.1 1.0 N A:TRP112 4.3 22.3 1.0 CG1 A:VAL72 4.3 20.7 1.0 O A:VAL72 4.4 22.4 1.0 O A:HOH2012 4.5 45.8 1.0 N A:SER73 4.5 21.0 1.0 CA A:TRP112 4.5 21.4 1.0 C A:VAL72 4.6 21.4 1.0 NE1 A:TRP112 4.6 20.3 1.0 CA A:THR111 4.6 23.1 0.5 CA A:THR111 4.6 23.4 0.5 O A:HOH2059 4.7 22.5 1.0 C15 A:RET900 4.7 24.5 1.0 CB A:SER73 4.8 24.1 1.0 CD A:LYS242 4.8 25.2 1.0 CA A:SER115 4.9 23.9 1.0 OG A:SER73 5.0 24.9 1.0

Chlorine binding site 2 out of 2 in the Ground State 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 Ground State of Halorhodopsin T203V within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:32.7 occ:1.00 NH2 A:ARG24 3.1 34.5 1.0 NE2 A:GLN105 3.2 25.3 1.0 NH1 A:ARG103 3.5 30.2 1.0 NE A:ARG24 3.5 37.4 1.0 CD A:ARG103 3.7 28.7 1.0 CZ A:ARG24 3.8 38.6 1.0 CD2 A:LEU29 3.9 23.9 1.0 CG A:GLN105 3.9 25.6 1.0 CD1 A:LEU29 4.0 26.7 1.0 CG A:LEU29 4.0 26.3 1.0 CD A:GLN105 4.1 27.1 1.0 CG2 A:VAL86 4.1 26.8 1.0 CG1 A:VAL86 4.1 25.9 1.0 CD1 A:LEU33 4.1 21.2 1.0 CZ A:ARG103 4.4 30.1 1.0 CG A:ARG103 4.4 30.0 1.0 NE A:ARG103 4.5 30.4 1.0 CB A:VAL86 4.7 27.2 1.0 O A:LEU80 4.8 20.9 1.0 CD A:ARG24 4.8 41.0 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