Manganese in PDB 8q3z: Crystal Structure of CA4-Bound CAN2 From Thermoanaerobacter Brockii

Protein crystallography data

The structure of Crystal Structure of CA4-Bound CAN2 From Thermoanaerobacter Brockii, PDB code: 8q3z was solved by K.Jungfer, A.Sigg, M.Jinek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 93.77 / 3.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.966, 79.133, 94.214, 90, 95.58, 90
R / Rfree (%) 22.3 / 25.6

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of CA4-Bound CAN2 From Thermoanaerobacter Brockii (pdb code 8q3z). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of CA4-Bound CAN2 From Thermoanaerobacter Brockii, PDB code: 8q3z:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 8q3z

Go back to Manganese Binding Sites List in 8q3z
Manganese binding site 1 out of 2 in the Crystal Structure of CA4-Bound CAN2 From Thermoanaerobacter Brockii


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of CA4-Bound CAN2 From Thermoanaerobacter Brockii within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn501

b:160.6
occ:1.00
OD2 A:ASP343 2.4 64.7 1.0
O A:LEU357 2.5 62.9 1.0
CG A:ASP343 3.2 67.6 1.0
OD1 A:ASP343 3.4 72.4 1.0
C A:LEU357 3.6 56.1 1.0
N A:LEU357 3.9 59.1 1.0
OG A:SER356 4.1 61.9 1.0
CA A:LEU357 4.3 55.7 1.0
OE2 A:GLU304 4.4 64.5 1.0
CB A:ASP343 4.7 62.4 1.0
N A:THR358 4.7 52.3 1.0
CB A:LEU357 4.8 55.7 1.0
C A:SER356 4.9 59.5 1.0

Manganese binding site 2 out of 2 in 8q3z

Go back to Manganese Binding Sites List in 8q3z
Manganese binding site 2 out of 2 in the Crystal Structure of CA4-Bound CAN2 From Thermoanaerobacter Brockii


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of CA4-Bound CAN2 From Thermoanaerobacter Brockii within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn501

b:55.0
occ:1.00
O B:LEU357 2.4 56.9 1.0
OD2 B:ASP343 2.5 58.9 1.0
CG B:ASP343 3.4 69.6 1.0
OD1 B:ASP343 3.6 84.5 1.0
C B:LEU357 3.6 54.3 1.0
OE2 B:GLU304 3.9 53.5 1.0
N B:LEU357 4.1 51.9 1.0
CA B:LEU357 4.4 52.0 1.0
OG B:SER356 4.5 49.5 1.0
CE B:LYS369 4.6 53.0 1.0
N B:THR358 4.7 56.3 1.0
CB B:ASP343 4.8 60.2 1.0
CB B:LEU357 4.8 51.9 1.0
CA B:THR358 4.9 54.5 1.0
CD B:GLU304 5.0 56.0 1.0

Reference:

K.Jungfer, A.Sigg, M.Jinek. Substrate Selectivity and Catalytic Activation of the Type III Crispr-Associated Ancillary Nuclease CAN2 To Be Published.
Page generated: Sun Oct 6 13:38:47 2024

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