Chlorine in PDB 7o8u: Nmhr Light State Structure at 45 Ms (40 - 50 Ms) After Photoexcitation Determined By Serial Millisecond Crystallography

The structure of Nmhr Light State Structure at 45 Ms (40 - 50 Ms) After Photoexcitation Determined By Serial Millisecond Crystallography, PDB code: 7o8u 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)	38.96 / 2.50
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 (%)	25.1 / 30.3

The binding sites of Chlorine atom in the Nmhr Light State Structure at 45 Ms (40 - 50 Ms) After Photoexcitation Determined By Serial Millisecond Crystallography (pdb code 7o8u). 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 45 Ms (40 - 50 Ms) After Photoexcitation Determined By Serial Millisecond Crystallography, PDB code: 7o8u:

Chlorine binding site 1 out of 1 in the Nmhr Light State Structure at 45 Ms (40 - 50 Ms) After Photoexcitation Determined By Serial Millisecond Crystallography


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 45 Ms (40 - 50 Ms) After Photoexcitation Determined By Serial Millisecond Crystallography within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:55.4 occ:1.00 ND2 A:ASN98 2.3 35.0 1.0 NZ A:LYS235 3.1 38.7 1.0 CG A:ASN98 3.3 43.1 1.0 CE A:LYS235 3.4 38.2 1.0 CD1 A:TRP99 3.5 44.4 1.0 O A:HOH408 3.6 35.3 1.0 OG1 A:THR102 3.7 35.2 1.0 NE1 A:TRP99 3.8 43.6 1.0 CB A:ALA61 3.9 36.1 1.0 CB A:ASN98 4.0 39.3 1.0 CG2 A:THR102 4.1 36.9 1.0 OD1 A:ASN98 4.1 47.6 1.0 CA A:ALA61 4.1 33.1 1.0 C15 A:RET301 4.3 36.7 1.0 CD A:LYS235 4.3 32.2 1.0 OD2 A:ASP231 4.4 56.7 1.0 CB A:THR102 4.4 28.4 1.0 C14 A:RET301 4.7 36.2 1.0 N A:TRP99 4.7 38.5 1.0 C A:ASN98 4.7 41.5 1.0 N A:ALA61 4.8 37.3 1.0 CG A:TRP99 4.8 34.9 1.0 O A:ARG95 5.0 39.7 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