Chlorine in PDB 1e12: Halorhodopsin, A Light-Driven Chloride Pump

The structure of Halorhodopsin, A Light-Driven Chloride Pump, PDB code: 1e12 was solved by L.-O.Essen, M.Kolbe, D.Oesterhelt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.80
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	67.300, 67.300, 209.200, 90.00, 90.00, 120.00
R / Rfree (%)	23.7 / 25.7

The structure of Halorhodopsin, A Light-Driven Chloride Pump also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Halorhodopsin, A Light-Driven Chloride Pump (pdb code 1e12). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Halorhodopsin, A Light-Driven Chloride Pump, PDB code: 1e12:

Chlorine binding site 1 out of 1 in the Halorhodopsin, A Light-Driven Chloride Pump


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Halorhodopsin, A Light-Driven Chloride Pump within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:24.7 occ:1.00 OG A:SER115 3.1 21.4 1.0 O A:HOH2081 3.1 29.3 1.0 O A:HOH2023 3.2 31.0 1.0 CB A:SER115 3.6 21.4 1.0 CG2 A:THR111 3.6 22.7 1.0 CE A:LYS242 3.6 23.0 1.0 NZ A:LYS242 3.8 23.1 1.0 CB A:SER76 3.8 22.8 1.0 CD1 A:TRP112 3.9 21.4 1.0 CB A:THR111 3.9 22.6 1.0 O A:THR111 4.1 21.6 1.0 CA A:SER73 4.1 21.8 1.0 C A:THR111 4.1 22.0 1.0 OG A:SER76 4.2 23.6 1.0 N A:TRP112 4.2 22.3 1.0 CG1 A:VAL72 4.3 22.1 1.0 O A:VAL72 4.3 21.3 1.0 N A:SER73 4.4 21.2 1.0 CA A:TRP112 4.5 22.4 1.0 C A:VAL72 4.5 21.5 1.0 NE1 A:TRP112 4.6 21.7 1.0 CA A:THR111 4.7 22.5 1.0 CB A:SER73 4.7 22.0 1.0 CD A:LYS242 4.8 22.1 1.0 C15 A:RET999 4.8 23.1 1.0 O A:HOH2082 4.8 26.3 1.0 CA A:SER115 4.9 21.8 1.0 CG A:TRP112 5.0 21.4 1.0 OG A:SER73 5.0 23.8 1.0

M.Kolbe, H.Besir, L.-O.Essen, D.Oesterhelt. Structure of Light-Driven Chloride Pump Halorhodopsin at 1.8 A Resolution Science V. 288 1390 2000.
ISSN: ISSN 0036-8075
PubMed: 10827943
DOI: 10.1126/SCIENCE.288.5470.1390