Chlorine in PDB 9mdo: Crystal Structure of Y559A Prosegment Binding Loop Mutant of C0362 (TDE_0362 [TDE0362] Resi 205-647)

The structure of Crystal Structure of Y559A Prosegment Binding Loop Mutant of C0362 (TDE_0362 [TDE0362] Resi 205-647), PDB code: 9mdo was solved by N.D.Clark, M.G.Malkowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.00 / 2.02
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.965, 99.558, 120.394, 90, 90, 90
R / Rfree (%)	18 / 23.2

The binding sites of Chlorine atom in the Crystal Structure of Y559A Prosegment Binding Loop Mutant of C0362 (TDE_0362 [TDE0362] Resi 205-647) (pdb code 9mdo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Y559A Prosegment Binding Loop Mutant of C0362 (TDE_0362 [TDE0362] Resi 205-647), PDB code: 9mdo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Y559A Prosegment Binding Loop Mutant of C0362 (TDE_0362 [TDE0362] Resi 205-647)


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 Y559A Prosegment Binding Loop Mutant of C0362 (TDE_0362 [TDE0362] Resi 205-647) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl716 b:37.1 occ:1.00 N A:PHE250 3.4 31.6 1.0 CB A:ALA261 3.6 31.7 1.0 CA A:ALA261 3.8 34.0 1.0 CD A:PRO262 3.9 32.5 1.0 CB A:PHE250 4.1 33.5 1.0 CA A:TYR249 4.1 37.6 1.0 CA A:PHE250 4.2 31.2 1.0 C A:TYR249 4.2 31.7 1.0 O A:PHE250 4.2 37.4 1.0 CD2 A:PHE250 4.2 31.6 1.0 CD1 A:TYR249 4.3 46.1 1.0 CB A:TYR249 4.4 41.8 1.0 N A:ALA261 4.6 33.5 1.0 CG A:PHE250 4.6 31.3 1.0 C A:PHE250 4.7 35.5 1.0 N A:PRO262 4.8 30.2 1.0 CG A:TYR249 4.8 43.6 1.0 C A:ALA261 4.9 32.4 1.0 O A:GLY260 5.0 40.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Y559A Prosegment Binding Loop Mutant of C0362 (TDE_0362 [TDE0362] Resi 205-647)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Y559A Prosegment Binding Loop Mutant of C0362 (TDE_0362 [TDE0362] Resi 205-647) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl717 b:51.3 occ:1.00 N A:GLY335 3.0 23.2 1.0 O A:HOH913 3.3 28.7 0.5 C A:GLY333 3.4 29.2 1.0 CA A:GLY335 3.5 29.1 1.0 CA A:GLY333 3.5 24.5 1.0 O A:GLY333 3.7 28.4 1.0 N A:ILE334 3.8 21.8 1.0 O2 A:EDO714 3.9 47.5 0.7 N A:GLY333 3.9 31.2 1.0 C2 A:EDO714 3.9 48.3 0.7 C A:ILE334 4.1 25.0 1.0 O A:HOH913 4.2 19.1 0.5 CE A:LYS373 4.4 42.0 1.0 CA A:ILE334 4.4 21.8 1.0 C A:GLY335 4.8 30.7 1.0 C1 A:EDO714 4.8 48.8 0.7

N.D.Clark, C.Li, M.G.Malkowski. Structural Insights Into the Role of the Prosegment Binding Loop in A Papain-Superfamily Cysteine Protease From Treponema Denticola. Acta Crystallogr.,Sect.F V. 81 53 2025.
ISSN: ESSN 2053-230X
PubMed: 39846228
DOI: 10.1107/S2053230X25000378