Chlorine in PDB 6xl3: Mastigocladopsis Repens Rhodopsin Chloride Pump

The structure of Mastigocladopsis Repens Rhodopsin Chloride Pump, PDB code: 6xl3 was solved by J.E.Besaw, O.P.Ernst, W.Ou, T.Morizumi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.64 / 2.33
Space group	P 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	108.911, 108.911, 116.074, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 22

The binding sites of Chlorine atom in the Mastigocladopsis Repens Rhodopsin Chloride Pump (pdb code 6xl3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Mastigocladopsis Repens Rhodopsin Chloride Pump, PDB code: 6xl3:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Mastigocladopsis Repens Rhodopsin Chloride Pump


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mastigocladopsis Repens Rhodopsin Chloride Pump within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:33.4 occ:1.00 OG A:SER78 3.0 33.4 1.0 O A:HOH408 3.0 31.5 1.0 OG1 A:THR74 3.1 32.0 1.0 CB A:THR74 3.5 33.6 1.0 C A:THR74 3.6 32.9 1.0 CD1 A:TRP75 3.6 33.6 1.0 CE A:LYS204 3.6 35.1 1.0 N A:TRP75 3.7 30.4 1.0 O A:THR74 3.7 33.3 1.0 CA A:ALA46 3.8 33.7 1.0 CB A:SER78 3.8 33.0 1.0 CD2 A:LEU49 3.9 31.3 1.0 CG2 A:ILE45 3.9 29.6 1.0 CB A:ALA46 3.9 30.2 1.0 NZ A:LYS204 4.0 40.3 1.0 N A:ALA46 4.0 32.3 1.0 CA A:TRP75 4.1 30.8 1.0 CA A:THR74 4.2 30.8 1.0 NE1 A:TRP75 4.4 34.4 1.0 CB A:LEU49 4.4 32.0 1.0 C A:ILE45 4.5 34.0 1.0 CG A:TRP75 4.7 35.1 1.0 O A:ILE45 4.7 28.4 1.0 CG2 A:THR74 4.8 31.4 1.0 CG A:LEU49 4.8 31.1 1.0 CD A:LYS204 4.8 37.5 1.0 CB A:ILE45 4.9 33.0 1.0 C15 A:RET301 4.9 32.9 1.0 CB A:TRP75 5.0 32.1 1.0

Chlorine binding site 2 out of 3 in the Mastigocladopsis Repens Rhodopsin Chloride Pump


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mastigocladopsis Repens Rhodopsin Chloride Pump within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:33.4 occ:1.00 ND2 A:ASN60 3.1 38.2 1.0 ND2 B:ASN60 3.1 36.6 1.0 N B:VAL61 3.2 38.6 1.0 N A:VAL61 3.2 35.3 1.0 CB A:ASN60 3.5 31.7 1.0 CB B:ASN60 3.6 33.0 1.0 CA A:ASN60 3.6 34.5 1.0 CA B:ASN60 3.7 36.2 1.0 CG A:ASN60 3.8 39.7 1.0 CG B:ASN60 3.9 44.6 1.0 C B:ASN60 3.9 40.1 1.0 C A:ASN60 3.9 34.2 1.0 CB B:VAL61 4.1 39.1 1.0 CA B:VAL61 4.1 39.1 1.0 CB A:VAL61 4.1 42.5 1.0 CG2 B:VAL61 4.1 31.6 1.0 CA A:VAL61 4.2 37.4 1.0 CG2 A:VAL61 4.4 34.3 1.0 O B:VAL61 4.4 40.7 1.0 O A:VAL61 4.4 42.7 1.0 C B:VAL61 4.7 41.3 1.0 C A:VAL61 4.8 42.8 1.0

Chlorine binding site 3 out of 3 in the Mastigocladopsis Repens Rhodopsin Chloride Pump


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mastigocladopsis Repens Rhodopsin Chloride Pump within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:37.8 occ:1.00 OG B:SER78 3.0 33.2 1.0 O B:HOH404 3.1 31.6 1.0 OG1 B:THR74 3.1 36.5 1.0 CB B:THR74 3.5 34.9 1.0 O B:THR74 3.6 33.1 1.0 C B:THR74 3.6 37.0 1.0 CD1 B:TRP75 3.7 33.7 1.0 CE B:LYS204 3.7 34.0 1.0 NZ B:LYS204 3.7 37.3 1.0 CB B:SER78 3.8 33.7 1.0 CG2 B:ILE45 3.8 34.5 1.0 N B:TRP75 3.8 33.2 1.0 CA B:ALA46 3.9 35.9 1.0 CD2 B:LEU49 3.9 31.3 1.0 CB B:ALA46 4.0 32.8 1.0 N B:ALA46 4.1 31.9 1.0 CA B:TRP75 4.2 31.3 1.0 CA B:THR74 4.2 35.9 1.0 NE1 B:TRP75 4.4 33.8 1.0 C B:ILE45 4.5 35.8 1.0 CB B:LEU49 4.5 33.2 1.0 O B:ILE45 4.6 31.9 1.0 CG B:TRP75 4.7 32.4 1.0 CD B:LYS204 4.8 37.1 1.0 CG B:LEU49 4.8 33.8 1.0 CB B:ILE45 4.8 36.7 1.0 CG2 B:THR74 4.8 31.9 1.0 C15 B:RET301 4.9 33.8 1.0

J.E.Besaw, W.L.Ou, T.Morizumi, B.T.Eger, J.D.Sanchez Vasquez, J.H.Y.Chu, A.Harris, L.S.Brown, R.J.D.Miller, O.P.Ernst. The Crystal Structures of A Chloride-Pumping Microbial Rhodopsin and Its Proton-Pumping Mutant Illuminate Proton Transfer Determinants. J.Biol.Chem. V. 295 14793 2020.
ISSN: ESSN 1083-351X
PubMed: 32703899
DOI: 10.1074/JBC.RA120.014118