Chlorine in PDB 5nym: Crystal Structure of the Atypical Poplar Thioredoxin-LIKE2.1 in Reduced State

The structure of Crystal Structure of the Atypical Poplar Thioredoxin-LIKE2.1 in Reduced State, PDB code: 5nym was solved by K.Chibani, F.A.Saul, A.Haouz, N.Rouhier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.45 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.546, 52.946, 59.145, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.9

The structure of Crystal Structure of the Atypical Poplar Thioredoxin-LIKE2.1 in Reduced State also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of the Atypical Poplar Thioredoxin-LIKE2.1 in Reduced State (pdb code 5nym). 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 Crystal Structure of the Atypical Poplar Thioredoxin-LIKE2.1 in Reduced State, PDB code: 5nym:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Atypical Poplar Thioredoxin-LIKE2.1 in Reduced State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Atypical Poplar Thioredoxin-LIKE2.1 in Reduced State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl300 b:29.0 occ:1.00 H A:SER16 2.2 21.1 0.5 H A:SER16 2.2 21.1 0.5 HG A:SER16 2.4 20.2 0.5 HB2 A:ASP15 2.7 21.0 1.0 HB3 A:ALA76 2.8 23.5 1.0 HB2 A:PRO74 2.8 22.3 1.0 HB2 A:SER16 3.1 21.2 0.5 O A:HOH594 3.1 58.8 1.0 HG2 A:PRO74 3.1 26.9 1.0 HB2 A:SER16 3.1 22.2 0.5 N A:SER16 3.2 20.4 1.0 HB3 A:SER16 3.2 21.7 0.5 OG A:SER16 3.3 20.7 0.5 O A:HOH512 3.3 28.0 1.0 O A:HOH573 3.5 38.3 1.0 H A:LEU77 3.5 20.3 1.0 CB A:SER16 3.6 21.7 0.5 CB A:SER16 3.6 22.2 0.5 CB A:PRO74 3.7 22.4 1.0 HB2 A:LEU77 3.7 17.9 1.0 CB A:ASP15 3.7 22.0 1.0 CB A:ALA76 3.8 24.8 1.0 CG A:PRO74 3.8 26.7 1.0 HA A:ASP15 3.8 18.4 1.0 N A:LEU77 4.0 21.1 1.0 HB3 A:PRO74 4.0 23.4 1.0 CA A:SER16 4.0 19.4 0.5 CA A:SER16 4.0 19.5 0.5 HB1 A:ALA76 4.0 25.1 1.0 CA A:ASP15 4.1 20.3 1.0 HB3 A:ASP15 4.1 22.3 1.0 C A:ASP15 4.1 21.4 1.0 HD2 A:PRO74 4.2 22.4 1.0 H A:HIS17 4.3 21.4 1.0 H A:ALA76 4.4 23.7 1.0 HB2 A:ALA76 4.4 26.2 1.0 C A:ALA76 4.5 24.5 1.0 CB A:LEU77 4.5 18.1 1.0 HB3 A:SER16 4.6 21.7 0.5 CA A:ALA76 4.6 23.9 1.0 CD A:PRO74 4.6 22.9 1.0 CG A:ASP15 4.7 28.3 1.0 HG3 A:PRO74 4.7 27.3 1.0 CA A:LEU77 4.7 18.4 1.0 HA A:LEU77 4.7 17.1 1.0 HA A:SER16 4.7 20.2 0.5 O A:HOH583 4.7 37.7 1.0 HA A:SER16 4.7 20.2 0.5 HB3 A:LEU77 4.8 18.6 1.0 N A:ALA76 4.8 24.2 1.0 OG A:SER16 4.9 24.3 0.5 O A:HOH503 4.9 30.5 1.0 O A:HOH567 4.9 29.3 1.0 CA A:PRO74 5.0 21.4 1.0

K.Chibani, F.Saul, C.Didierjean, N.Rouhier, A.Haouz. Structural Snapshots Along the Reaction Mechanism of the Atypical Poplar Thioredoxin-LIKE2.1. Febs Lett. V. 592 1030 2018.
ISSN: ISSN 1873-3468
PubMed: 29453875
DOI: 10.1002/1873-3468.13009