Chlorine in PDB 7o8h: Nmhr Light State Structure at 10 Ns After Photoexcitation Determined By Serial Femtosecond Crystallography (with Extrapolated, Dark and Light Dataset)

The structure of Nmhr Light State Structure at 10 Ns After Photoexcitation Determined By Serial Femtosecond Crystallography (with Extrapolated, Dark and Light Dataset), PDB code: 7o8h 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 / 1.80
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 (%)	27.3 / 31.9

The binding sites of Chlorine atom in the Nmhr Light State Structure at 10 Ns After Photoexcitation Determined By Serial Femtosecond Crystallography (with Extrapolated, Dark and Light Dataset) (pdb code 7o8h). 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 Light State Structure at 10 Ns After Photoexcitation Determined By Serial Femtosecond Crystallography (with Extrapolated, Dark and Light Dataset), PDB code: 7o8h:

Chlorine binding site 1 out of 1 in the Nmhr Light State Structure at 10 Ns After Photoexcitation Determined By Serial Femtosecond Crystallography (with Extrapolated, Dark and Light Dataset)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Nmhr Light State Structure at 10 Ns After Photoexcitation Determined By Serial Femtosecond Crystallography (with Extrapolated, Dark and Light Dataset) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:31.3 occ:1.00 ND2 A:ASN98 2.6 33.0 1.0 OG1 A:THR102 3.1 23.3 1.0 CG2 A:THR102 3.4 15.7 1.0 CD1 A:TRP99 3.4 28.6 1.0 CE A:LYS235 3.5 19.2 1.0 CG A:ASN98 3.7 28.5 1.0 CB A:THR102 3.7 14.2 1.0 NE1 A:TRP99 3.8 19.3 1.0 CB A:ASN98 3.9 21.8 1.0 NZ A:LYS235 4.0 21.6 1.0 O A:HOH414 4.1 28.7 1.0 CB A:ALA61 4.2 13.2 1.0 C15 A:RET301 4.3 27.5 1.0 CA A:ALA61 4.3 18.3 1.0 C A:ASN98 4.3 20.4 1.0 N A:TRP99 4.4 18.1 1.0 O A:ASN98 4.5 19.6 1.0 CD A:LYS235 4.5 15.1 1.0 CA A:TRP99 4.6 22.4 1.0 CG A:TRP99 4.7 16.2 1.0 O A:ARG95 4.7 22.1 1.0 CA A:ASN98 4.8 19.6 1.0 OD1 A:ASN98 4.8 41.2 1.0 N A:ALA61 4.8 15.0 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