Chlorine in PDB 5o5d: Cellobiohydrolase CEL7A From T. Atroviride

The structure of Cellobiohydrolase CEL7A From T. Atroviride, PDB code: 5o5d was solved by A.S.Borisova, J.Stahlberg, H.Hansson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.74 / 1.72
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.170, 71.670, 104.220, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 17.3

The structure of Cellobiohydrolase CEL7A From T. Atroviride also contains other interesting chemical elements:

Nickel

(Ni)

4 atoms

The binding sites of Chlorine atom in the Cellobiohydrolase CEL7A From T. Atroviride (pdb code 5o5d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Cellobiohydrolase CEL7A From T. Atroviride, PDB code: 5o5d:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Cellobiohydrolase CEL7A From T. Atroviride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cellobiohydrolase CEL7A From T. Atroviride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl610 b:52.6 occ:1.00 NI A:NI602 2.3 59.5 1.0 ND1 A:HIS271 2.9 16.3 1.0 CG A:HIS271 3.7 14.4 1.0 O A:HOH980 3.7 18.5 1.0 CE1 A:HIS271 3.7 16.5 1.0 CB A:HIS271 3.9 13.1 1.0 CD2 A:HIS271 4.7 15.3 1.0 NE2 A:HIS271 4.7 16.2 1.0

Chlorine binding site 2 out of 4 in the Cellobiohydrolase CEL7A From T. Atroviride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cellobiohydrolase CEL7A From T. Atroviride within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl611 b:44.9 occ:1.00 O A:HOH1035 2.8 25.6 1.0 OH A:TYR266 2.8 8.7 1.0 NI A:NI602 3.3 59.5 1.0 CE2 A:TYR266 3.7 7.8 1.0 CZ A:TYR266 3.7 8.0 1.0 CG2 A:THR396 3.8 8.6 1.0 CB A:HIS271 3.9 13.1 1.0 CG A:HIS271 4.2 14.4 1.0 ND1 A:HIS271 4.2 16.3 1.0 O A:HIS271 4.7 10.8 1.0 CD2 A:TYR266 5.0 7.6 1.0 CE1 A:TYR266 5.0 7.9 1.0

Chlorine binding site 3 out of 4 in the Cellobiohydrolase CEL7A From T. Atroviride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Cellobiohydrolase CEL7A From T. Atroviride within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl509 b:48.5 occ:1.00 NI B:NI502 2.2 63.5 1.0 ND1 B:HIS271 2.8 15.6 1.0 CG B:HIS271 3.6 13.7 1.0 CE1 B:HIS271 3.7 15.5 1.0 CB B:HIS271 3.8 12.6 1.0 O B:HOH837 3.8 17.4 1.0 O B:HOH959 4.7 42.5 1.0 CD2 B:HIS271 4.7 14.4 1.0 NE2 B:HIS271 4.7 15.4 1.0

Chlorine binding site 4 out of 4 in the Cellobiohydrolase CEL7A From T. Atroviride


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Cellobiohydrolase CEL7A From T. Atroviride within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl510 b:45.1 occ:1.00 O B:HOH877 2.8 23.3 1.0 O A:HOH1099 2.9 33.2 1.0 OH B:TYR266 2.9 8.5 1.0 NI B:NI502 3.1 63.5 1.0 CE2 B:TYR266 3.7 7.6 1.0 CZ B:TYR266 3.7 7.8 1.0 CB B:HIS271 3.8 12.6 1.0 CG2 B:THR396 4.0 9.1 1.0 CG B:HIS271 4.1 13.7 1.0 ND1 B:HIS271 4.2 15.6 1.0 O B:HIS271 4.6 11.1 1.0 CG A:GLN98 4.6 10.1 0.5 CD A:GLN98 4.9 10.2 0.5 CA B:HIS271 5.0 11.3 1.0 NE2 A:GLN98 5.0 10.3 0.5 CD2 B:TYR266 5.0 7.4 1.0

A.S.Borisova, E.V.Eneyskaya, S.Jana, S.F.Badino, J.Kari, A.Amore, M.Karlsson, H.Hansson, M.Sandgren, M.E.Himmel, P.Westh, C.M.Payne, A.A.Kulminskaya, J.Stahlberg. Correlation of Structure, Function and Protein Dynamics in GH7 Cellobiohydrolases From Trichoderma Atroviride, T. Reesei and T. Harzianum. Biotechnol Biofuels V. 11 5 2018.
ISSN: ESSN 1754-6834
PubMed: 29344086
DOI: 10.1186/S13068-017-1006-7