Nickel 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:

Chlorine

(Cl)

4 atoms

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

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


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Cellobiohydrolase CEL7A From T. Atroviride within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni602 b:59.5 occ:1.00 CL A:CL610 2.3 52.6 1.0 ND1 A:HIS271 2.5 16.3 1.0 CG A:HIS271 3.3 14.4 1.0 CL A:CL611 3.3 44.9 1.0 CB A:HIS271 3.5 13.1 1.0 CE1 A:HIS271 3.5 16.5 1.0 CD2 A:HIS271 4.5 15.3 1.0 NE2 A:HIS271 4.6 16.2 1.0 OH A:TYR266 4.7 8.7 1.0 CA A:HIS271 5.0 11.5 1.0

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


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Cellobiohydrolase CEL7A From T. Atroviride within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni603 b:15.4 occ:1.00 O8 A:BTB605 1.8 25.0 1.0 NE2 A:HIS206 2.0 11.1 1.0 O6 A:BTB605 2.0 25.9 1.0 N A:BTB605 2.2 25.3 1.0 O1 A:BTB605 2.2 28.9 1.0 O3 A:BTB605 2.2 24.4 1.0 CE1 A:HIS206 2.7 11.7 1.0 C8 A:BTB605 2.7 25.4 1.0 C6 A:BTB605 2.9 25.5 1.0 C7 A:BTB605 2.9 25.4 1.0 C5 A:BTB605 3.0 25.6 1.0 C2 A:BTB605 3.0 26.1 1.0 C3 A:BTB605 3.1 26.4 1.0 C1 A:BTB605 3.1 26.8 1.0 CD2 A:HIS206 3.2 11.5 1.0 ND1 A:HIS206 3.9 11.8 1.0 O A:HOH775 4.0 12.9 0.5 CG A:HIS206 4.2 10.5 1.0 O A:HOH704 4.3 13.0 1.0 OG A:SER239 4.4 13.1 1.0 C4 A:BTB605 4.5 25.1 1.0

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


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Cellobiohydrolase CEL7A From T. Atroviride within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni502 b:63.5 occ:1.00 CL B:CL509 2.2 48.5 1.0 ND1 B:HIS271 2.5 15.6 1.0 CL B:CL510 3.1 45.1 1.0 CG B:HIS271 3.3 13.7 1.0 CB B:HIS271 3.4 12.6 1.0 CE1 B:HIS271 3.6 15.5 1.0 CD2 B:HIS271 4.5 14.4 1.0 NE2 B:HIS271 4.6 15.4 1.0 OH B:TYR266 4.7 8.5 1.0 O A:HOH1099 4.8 33.2 1.0 CA B:HIS271 4.9 11.3 1.0

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


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Cellobiohydrolase CEL7A From T. Atroviride within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni503 b:15.5 occ:1.00 O8 B:BTB505 1.8 24.4 1.0 O6 B:BTB505 2.0 25.9 1.0 NE2 B:HIS206 2.0 10.9 1.0 O1 B:BTB505 2.2 23.4 1.0 N B:BTB505 2.2 24.1 1.0 O4 B:BTB505 2.3 27.8 1.0 C8 B:BTB505 2.7 24.7 1.0 CE1 B:HIS206 2.7 11.5 1.0 C6 B:BTB505 2.9 24.8 1.0 C7 B:BTB505 2.9 24.3 1.0 C5 B:BTB505 3.0 24.5 1.0 C2 B:BTB505 3.0 24.8 1.0 C1 B:BTB505 3.1 25.2 1.0 CD2 B:HIS206 3.2 11.2 1.0 C4 B:BTB505 3.2 25.4 1.0 O B:HOH680 3.9 32.2 1.0 ND1 B:HIS206 3.9 11.4 1.0 CG B:HIS206 4.2 10.3 1.0 O B:HOH602 4.3 14.0 1.0 OG B:SER239 4.4 13.1 1.0 C3 B:BTB505 4.5 24.0 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