Chlorine in PDB 7o8f: Nmhr Dark State Structure Determined By Serial Femtosecond Crystallography

The structure of Nmhr Dark State Structure Determined By Serial Femtosecond Crystallography, PDB code: 7o8f was solved by S.Mous, G.Gotthard, D.Ehrenberg, S.Sen, D.James, P.Johnson, T.Weinert, K.Nass, A.Furrer, D.Kekilli, P.Ma, S.Bruenle, C.Casadei, I.Martiel, F.Dworkowski, D.Gashi, P.Skopintsev, M.Wranik, G.Knopp, E.Panepucci, V.Panneels, C.Cirelli, D.Ozerov, G.Schertler, M.Wang, C.Milne, J.Standfuss, I.Schapiro, J.Heberle, P.Nogly, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.45 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.48, 51.18, 78.33, 90, 131.78, 90
R / Rfree (%)	17.1 / 19.1

The binding sites of Chlorine atom in the Nmhr Dark State Structure Determined By Serial Femtosecond Crystallography (pdb code 7o8f). 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 Nmhr Dark State Structure Determined By Serial Femtosecond Crystallography, PDB code: 7o8f:

Chlorine binding site 1 out of 1 in the Nmhr Dark State Structure Determined By Serial Femtosecond Crystallography


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Nmhr Dark State Structure Determined By Serial Femtosecond Crystallography within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:33.6 occ:1.00 ND2 A:ASN98 2.9 35.6 1.0 NZ A:LYS235 3.1 22.8 1.0 OG1 A:THR102 3.2 32.6 1.0 CD1 A:TRP99 3.6 23.9 1.0 O A:HOH421 3.7 29.5 1.0 CG2 A:THR102 3.7 32.7 1.0 CE A:LYS235 3.7 33.8 1.0 NE1 A:TRP99 3.9 23.2 1.0 CB A:THR102 3.9 26.3 1.0 CG A:ASN98 4.0 38.8 1.0 CB A:ALA61 4.0 23.0 1.0 C15 A:RET301 4.1 24.2 1.0 CA A:ALA61 4.3 22.8 1.0 CB A:ASN98 4.3 25.1 1.0 CD A:LYS235 4.3 22.7 1.0 C14 A:RET301 4.4 21.3 1.0 C A:ASN98 4.8 27.7 1.0 N A:TRP99 4.8 23.4 1.0 N A:ALA61 4.9 21.3 1.0 CG A:TRP99 4.9 20.3 1.0 O A:ASN98 4.9 24.1 1.0 CA A:TRP99 5.0 24.1 1.0

S.Mous, G.Gotthard, D.Ehrenberg, S.Sen, T.Weinert, P.J.M.Johnson, D.James, K.Nass, A.Furrer, D.Kekilli, P.Ma, S.Brunle, C.M.Casadei, I.Martiel, F.Dworkowski, D.Gashi, P.Skopintsev, M.Wranik, G.Knopp, E.Panepucci, V.Panneels, C.Cirelli, D.Ozerov, G.F.X.Schertler, M.Wang, C.Milne, J.Standfuss, I.Schapiro, J.Heberle, P.Nogly. Dynamics and Mechanism of A Light-Driven Chloride Pump. Science V. 375 845 2022.
ISSN: ESSN 1095-9203
PubMed: 35113649
DOI: 10.1126/SCIENCE.ABJ6663