Nickel in PDB 3k4z: Crystal Structure of the Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha

The structure of Crystal Structure of the Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha, PDB code: 3k4z was solved by P.M.Alahuhta, Q.Xu, M.E.Himmel, V.V.Lunin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.04 / 2.11
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	60.578, 94.315, 113.487, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 22.4

The structure of Crystal Structure of the Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Nickel atom in the Crystal Structure of the Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha (pdb code 3k4z). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Crystal Structure of the Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha, PDB code: 3k4z:

Nickel binding site 1 out of 1 in the Crystal Structure of the Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of the Cellulosomal CBM4 From Clostridium Thermocellum Cellulase Cbha within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni292 b:63.5 occ:1.00 NE2 A:HIS83 2.2 10.6 1.0 O A:HOH526 2.2 28.3 1.0 O A:HOH525 2.3 28.2 1.0 O A:HOH524 2.6 34.8 1.0 O A:HOH523 2.8 21.8 1.0 CD2 A:HIS83 3.1 9.1 1.0 CE1 A:HIS83 3.3 12.1 1.0 O A:HOH453 4.2 21.9 1.0 OE2 A:GLU174 4.2 25.1 1.0 CG A:HIS83 4.3 10.5 1.0 ND1 A:HIS83 4.3 12.9 1.0 OE1 A:GLU80 4.4 13.7 1.0 O A:GLN81 4.5 8.1 1.0 CD A:GLU80 4.9 13.6 1.0 CD A:GLU174 4.9 21.9 1.0

M.Alahuhta, Q.Xu, Y.J.Bomble, R.Brunecky, W.S.Adney, S.Y.Ding, M.E.Himmel, V.V.Lunin. The Unique Binding Mode of Cellulosomal CBM4 From Clostridium Thermocellum Cellobiohydrolase A. J.Mol.Biol. V. 402 374 2010.
ISSN: ISSN 0022-2836
PubMed: 20654622
DOI: 10.1016/J.JMB.2010.07.028