Chlorine in PDB 8za8: Sfx Structure of Cracry in the Fully Reduced State

The structure of Sfx Structure of Cracry in the Fully Reduced State, PDB code: 8za8 was solved by M.Maestre-Reyna, Y.Hosokawa, P.-H.Wang, M.Saft, N.Caramello, S.Engilberge, S.Franz-Badur, E.P.G.Ngura Putu, M.Nakamura, W.-J.Wu, H.-Y.Wu, C.-C.Lee, W.-C.Huang, K.-F.Huang, Y.-K.Chang, C.-H.Yang, W.-T.Lin, K.-C.Yang, Y.Ban, T.Imura, A.Kazuoka, E.Tanida, S.Owada, Y.Joti, R.Tanaka, T.Tanaka, F.Luo, K.Tono, S.Kiontke, L.Korf, Y.Umena, T.Tosha, Y.Bessho, E.Nango, S.Iwata, A.Royant, M.-D.Tsai, J.Yamamoto, L.-O.Essen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.74 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.32, 64.92, 151.54, 90, 90, 90
R / Rfree (%)	14.5 / 17.2

The binding sites of Chlorine atom in the Sfx Structure of Cracry in the Fully Reduced State (pdb code 8za8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Sfx Structure of Cracry in the Fully Reduced State, PDB code: 8za8:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Sfx Structure of Cracry in the Fully Reduced State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Sfx Structure of Cracry in the Fully Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:52.4 occ:1.00 HE1 A:TRP294 2.8 47.2 1.0 HE22 A:GLN291 2.8 43.9 1.0 O A:HOH909 2.9 51.5 1.0 HA A:VAL286 2.9 45.4 1.0 HB3 A:LYS237 3.0 42.2 1.0 O A:PRO285 3.3 38.4 1.0 HD3 A:PRO238 3.4 46.2 1.0 NE1 A:TRP294 3.4 39.4 1.0 HG3 A:PRO238 3.5 46.5 1.0 HG12 A:VAL286 3.5 45.5 1.0 NE2 A:GLN291 3.7 36.6 1.0 HB2 A:PRO285 3.7 46.2 1.0 HG2 A:LYS237 3.7 41.6 1.0 CB A:LYS237 3.8 35.1 1.0 CA A:VAL286 3.9 37.8 1.0 C A:PRO285 3.9 37.6 1.0 CG A:LYS237 4.1 34.7 1.0 HZ2 A:TRP294 4.1 48.6 1.0 CG A:PRO238 4.1 38.7 1.0 HB2 A:LYS237 4.1 42.2 1.0 HG2 A:PRO285 4.1 47.6 1.0 CD A:PRO238 4.1 38.5 1.0 O A:HOH830 4.2 38.1 1.0 HE21 A:GLN291 4.2 43.9 1.0 N A:VAL286 4.2 35.7 1.0 HG3 A:LYS237 4.2 41.6 1.0 CD1 A:TRP294 4.3 37.8 1.0 CE2 A:TRP294 4.3 39.9 1.0 CG1 A:VAL286 4.3 37.9 1.0 HD1 A:TRP294 4.3 45.4 1.0 OE1 A:GLN291 4.4 33.6 1.0 HG2 A:PRO238 4.4 46.5 1.0 CD A:GLN291 4.5 34.7 1.0 CB A:PRO285 4.5 38.5 1.0 CZ2 A:TRP294 4.6 40.5 1.0 HG13 A:VAL286 4.6 45.5 1.0 CB A:VAL286 4.6 38.1 1.0 HB A:VAL286 4.7 45.7 1.0 CG A:PRO285 4.8 39.7 1.0 CA A:PRO285 4.8 40.5 1.0 C A:VAL286 4.8 34.7 1.0 H A:LYS237 4.9 41.3 1.0 HD2 A:PRO238 4.9 46.2 1.0 N A:PRO238 4.9 36.4 1.0 H A:VAL286 4.9 42.9 1.0 O A:VAL286 5.0 33.0 1.0

Chlorine binding site 2 out of 2 in the Sfx Structure of Cracry in the Fully Reduced State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Sfx Structure of Cracry in the Fully Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl603 b:50.4 occ:1.00 HZ1 A:LYS423 2.2 58.3 0.0 H A:SER416 2.5 49.5 1.0 O A:HOH917 2.8 61.1 1.0 HH12 A:ARG413 2.9 59.3 1.0 HZ2 A:LYS423 3.0 58.3 0.0 NZ A:LYS423 3.0 48.6 0.0 HH22 A:ARG413 3.0 58.9 1.0 HD1 A:PHE420 3.1 55.1 1.0 HA A:TYR415 3.1 47.1 1.0 N A:SER416 3.3 41.2 1.0 HB2 A:PHE420 3.4 48.4 1.0 HB3 A:SER416 3.4 45.4 1.0 HZ3 A:LYS423 3.5 58.3 0.0 HA A:PHE420 3.6 49.5 1.0 HG12 A:VAL419 3.7 59.5 1.0 NH1 A:ARG413 3.7 49.4 1.0 NH2 A:ARG413 3.8 49.1 1.0 HD1 A:TYR415 3.9 54.9 1.0 HE3 A:LYS423 3.9 57.3 0.0 CA A:TYR415 3.9 39.3 1.0 CD1 A:PHE420 4.0 45.9 1.0 HB2 A:SER416 4.0 45.4 1.0 CB A:SER416 4.0 37.8 1.0 CE A:LYS423 4.0 47.7 0.0 C A:TYR415 4.1 41.3 1.0 CB A:PHE420 4.1 40.3 1.0 CA A:PHE420 4.2 41.3 1.0 HB3 A:TYR415 4.2 47.2 1.0 CA A:SER416 4.2 37.6 1.0 CZ A:ARG413 4.3 50.1 1.0 H A:PHE420 4.3 50.0 1.0 HE2 A:LYS423 4.3 57.3 0.0 N A:PHE420 4.3 41.6 1.0 HH11 A:ARG413 4.4 59.3 1.0 O A:VAL414 4.5 41.0 1.0 HH21 A:ARG413 4.5 58.9 1.0 CG1 A:VAL419 4.5 49.6 1.0 CG A:PHE420 4.6 40.9 1.0 HB A:VAL419 4.6 51.9 1.0 CB A:TYR415 4.6 39.4 1.0 HG11 A:VAL419 4.7 59.5 1.0 O A:SER416 4.7 38.7 1.0 CD1 A:TYR415 4.7 45.7 1.0 HB3 A:PHE420 4.9 48.4 1.0 HA A:SER416 5.0 45.2 1.0 N A:TYR415 5.0 38.4 1.0

M.Maestre-Reyna, Y.Hosokawa, P.-H.Wang, M.Saft, N.Caramello, S.Engilberge, S.Franz-Badur, E.P.G.Ngura Putu, M.Nakamura, W.-J.Wu, H.-Y.Wu, C.-C.Lee, W.-C.Huang, K.-F.Huang, Y.-K.Chang, C.-H.Yang, W.-T.Lin, K.-C.Yang, Y.Ban, T.Imura, A.Kazuoka, E.Tanida, S.Owada, Y.Joti, R.Tanaka, T.Tanaka, F.Luo, K.Tono, S.Kiontke, L.Korf, Y.Umena, T.Tosha, Y.Bessho, E.Nango, S.Iwata, A.Royant, M.-D.Tsai, J.Yamamoto, L.-O.Essen. Capturing Structural Intermediates in An Animal-Like Cryptochrome Photoreceptor By Time-Resolved Crystallography Sci Adv 2025.
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