Chlorine in PDB 8awn: Crystal Structure of A Manganese-Containing Cupin (TM1459) From Thermotoga Maritima, Variant C106Q

The structure of Crystal Structure of A Manganese-Containing Cupin (TM1459) From Thermotoga Maritima, Variant C106Q, PDB code: 8awn was solved by C.Grininger, K.Steiner, K.Gruber, T.Pavkov-Keller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.66 / 1.45
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.266, 53.266, 115.326, 90, 90, 90
R / Rfree (%)	14.2 / 17.3

The binding sites of Chlorine atom in the Crystal Structure of A Manganese-Containing Cupin (TM1459) From Thermotoga Maritima, Variant C106Q (pdb code 8awn). 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 A Manganese-Containing Cupin (TM1459) From Thermotoga Maritima, Variant C106Q, PDB code: 8awn:

Chlorine binding site 1 out of 1 in the Crystal Structure of A Manganese-Containing Cupin (TM1459) From Thermotoga Maritima, Variant C106Q


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 A Manganese-Containing Cupin (TM1459) From Thermotoga Maritima, Variant C106Q within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:21.9 occ:0.89 O A:HOH316 3.2 18.6 1.0 NH1 A:ARG23 3.3 18.6 1.0 NH1 A:ARG25 3.4 24.3 1.0 NH2 A:ARG25 3.7 28.1 1.0 CG A:ARG23 4.1 21.3 1.0 CZ A:ARG25 4.1 23.6 1.0 CG A:PRO11 4.1 23.5 1.0 CD A:ARG23 4.1 19.2 1.0 O A:HOH328 4.2 23.1 1.0 CB A:PRO11 4.3 23.8 1.0 CB A:ARG23 4.4 19.6 1.0 CZ A:ARG23 4.4 18.1 1.0 CG2 A:THR42 4.6 17.2 1.0 OE2 A:GLU101 4.6 21.4 1.0 OG1 A:THR42 4.7 18.4 1.0 CB A:THR42 4.7 15.6 1.0 NE A:ARG23 4.7 20.2 1.0 O A:HOH319 4.7 32.8 1.0

B.Grill, T.Pavkov-Keller, C.Grininger, B.Darnhofer, K.Gruber, M.Hall, H.Schwab, K.Steiner. Engineering TM1459 For Stabilisation Against Inactivation By Amino Acid Oxidation Chem Ing Tech 2023.
DOI: 10.1002/CITE.202200176