Chlorine in PDB 3pdd: Structures of Clostridium Thermocellum Cbha Fibronectin(III)-Like Modules

The structure of Structures of Clostridium Thermocellum Cbha Fibronectin(III)-Like Modules, PDB code: 3pdd was solved by P.M.Alahuhta, V.V.Lunin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.94 / 1.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.905, 58.087, 78.842, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 22.6

The structure of Structures of Clostridium Thermocellum Cbha Fibronectin(III)-Like Modules also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Chlorine atom in the Structures of Clostridium Thermocellum Cbha Fibronectin(III)-Like Modules (pdb code 3pdd). 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 Structures of Clostridium Thermocellum Cbha Fibronectin(III)-Like Modules, PDB code: 3pdd:

Chlorine binding site 1 out of 1 in the Structures of Clostridium Thermocellum Cbha Fibronectin(III)-Like Modules


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structures of Clostridium Thermocellum Cbha Fibronectin(III)-Like Modules within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl191 b:16.7 occ:1.00 O A:HOH257 3.0 9.7 1.0 N A:ALA181 3.3 10.8 1.0 O A:HOH680 3.5 2.0 0.3 O A:HOH344 3.5 7.0 1.0 CA A:GLN180 3.8 8.9 1.0 CB A:GLU152 3.8 10.0 1.0 CB A:ALA181 3.9 12.6 1.0 C A:GLN180 4.0 9.4 1.0 CA A:GLY107 4.1 11.2 1.0 O A:HOH664 4.1 17.1 1.0 CA A:ALA181 4.2 12.9 1.0 CG A:GLU152 4.3 13.3 1.0 CB A:GLN180 4.3 8.6 1.0 O A:LYS179 4.5 6.9 0.7 O A:HOH356 4.6 9.4 1.0 N A:GLY107 4.7 10.1 1.0 ND2 A:ASN108 4.7 12.7 0.3 O A:LYS179 4.7 8.8 0.3 C A:GLY107 4.7 11.8 1.0 CG A:GLN180 4.9 8.4 1.0 N A:GLN180 4.9 9.2 1.0 O A:GLY107 5.0 12.4 1.0

R.Brunecky, M.Alahuhta, Y.J.Bomble, Q.Xu, J.O.Baker, S.Y.Ding, M.E.Himmel, V.V.Lunin. Structure and Function of the Clostridium Thermocellum Cellobiohydrolase A X1-Module Repeat: Enhancement Through Stabilization of the Cbha Complex. Acta Crystallogr.,Sect.D V. 68 292 2012.
ISSN: ISSN 0907-4449
PubMed: 22349231
DOI: 10.1107/S0907444912001680