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

Protein crystallography data

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

Other elements in 3k4z:

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

Magnesium (Mg) 2 atoms

Nickel Binding Sites:

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 3k4z

Go back to Nickel Binding Sites List in 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

Reference:

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
Page generated: Wed Dec 16 01:25:02 2020

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