Chlorine in PDB 4awe: The Crystal Structure of Chrysonilia Sitophila Endo-Beta-D- 1,4-Mannanase

All present enzymatic activity of The Crystal Structure of Chrysonilia Sitophila Endo-Beta-D- 1,4-Mannanase:
3.2.1.78;

The structure of The Crystal Structure of Chrysonilia Sitophila Endo-Beta-D- 1,4-Mannanase, PDB code: 4awe was solved by A.M.D.Goncalves, C.S.Silva, D.De Sanctis, I.Bento, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.93 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.360, 78.940, 83.860, 90.00, 90.00, 90.00
R / Rfree (%)	16.053 / 20.215

The binding sites of Chlorine atom in the The Crystal Structure of Chrysonilia Sitophila Endo-Beta-D- 1,4-Mannanase (pdb code 4awe). 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 The Crystal Structure of Chrysonilia Sitophila Endo-Beta-D- 1,4-Mannanase, PDB code: 4awe:

Chlorine binding site 1 out of 1 in the The Crystal Structure of Chrysonilia Sitophila Endo-Beta-D- 1,4-Mannanase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Chrysonilia Sitophila Endo-Beta-D- 1,4-Mannanase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1394 b:15.8 occ:1.00 OH A:TYR29 2.9 13.4 1.0 O A:HOH2051 3.1 31.9 1.0 NE2 A:GLN345 3.4 10.9 1.0 O A:HOH2470 3.4 13.8 1.0 CD2 A:HIS357 3.4 17.5 1.0 CE2 A:TYR29 3.6 11.7 1.0 CZ A:TYR29 3.7 10.1 1.0 CB A:HIS357 3.7 15.8 1.0 CB A:ASP359 3.8 12.9 1.0 CG A:HIS357 3.9 16.8 1.0 O A:HIS357 4.0 12.0 1.0 CA A:GLY78 4.0 22.1 1.0 CG A:ASP359 4.3 12.6 1.0 CD A:GLN345 4.3 8.3 1.0 C A:GLY78 4.4 21.8 1.0 OE1 A:GLN345 4.4 11.7 1.0 C A:HIS357 4.4 14.9 1.0 N A:ALA79 4.5 20.6 1.0 OD2 A:ASP359 4.5 13.9 1.0 O A:HOH2492 4.5 25.5 1.0 N A:ASP359 4.5 11.1 1.0 O A:HOH2484 4.5 17.9 1.0 NE2 A:HIS357 4.6 19.0 1.0 CA A:HIS357 4.6 16.4 1.0 O A:HOH2487 4.6 36.7 1.0 CA A:ASP359 4.7 13.1 1.0 N A:GLY78 4.8 23.1 1.0 O A:HOH2155 4.8 28.1 1.0 O A:HOH2043 4.8 31.5 1.0 CD2 A:TYR29 4.9 9.4 1.0 OD1 A:ASP359 4.9 12.1 1.0

A.M.D.Goncalves, C.S.Silva, T.I.Madeira, R.Coelho, D.De Sanctis, M.V.San Romao, I.Bento. Endo-Beta-D-1,4-Mannanase From Chrysonilia Sitophila Displays A Novel Loop Arrangement For Substrate Selectivity Acta Crystallogr.,Sect.D V. 68 1468 2012.
ISSN: ISSN 0907-4449
PubMed: 23090396
DOI: 10.1107/S0907444912034646