Magnesium in PDB 7ox7: Target-Bound SPCAS9 Complex with Trac Chimeric Rna-Dna Guide

Protein crystallography data

The structure of Target-Bound SPCAS9 Complex with Trac Chimeric Rna-Dna Guide, PDB code: 7ox7 was solved by P.Donohoue, M.Pacesa, E.Lau, B.Vidal, M.J.Irby, D.B.Nyer, T.Rotstein, L.Banh, M.T.Toh, J.Gibson, B.Kohrs, K.Baek, A.L.G.Owen, E.M.Slorach, M.Vanoverbeek, C.K.Fuller, A.P.May, M.Jinek, P.Cameron, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.46 / 2.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 177.542, 67.406, 188.136, 90, 112.54, 90
R / Rfree (%) 20.9 / 22.9

Other elements in 7ox7:

The structure of Target-Bound SPCAS9 Complex with Trac Chimeric Rna-Dna Guide also contains other interesting chemical elements:

Potassium (K) 14 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Target-Bound SPCAS9 Complex with Trac Chimeric Rna-Dna Guide (pdb code 7ox7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Target-Bound SPCAS9 Complex with Trac Chimeric Rna-Dna Guide, PDB code: 7ox7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 7ox7

Go back to Magnesium Binding Sites List in 7ox7
Magnesium binding site 1 out of 2 in the Target-Bound SPCAS9 Complex with Trac Chimeric Rna-Dna Guide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Target-Bound SPCAS9 Complex with Trac Chimeric Rna-Dna Guide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg101

b:70.9
occ:1.00
O B:HOH1593 2.0 73.8 1.0
O A:HOH292 2.0 70.7 1.0
O B:HOH1731 2.0 65.2 1.0
O A:HOH274 2.0 75.8 1.0
O A:HOH315 2.2 70.1 1.0
O A:HOH202 2.4 62.0 1.0
O A:HOH278 3.5 57.2 1.0
O4 A:U22 3.7 40.6 1.0
OP2 A:G21 4.2 54.5 1.0
O A:HOH229 4.3 64.5 1.0
O A:HOH288 4.4 49.8 1.0
N7 A:G21 4.4 31.3 1.0
K A:K104 4.4 82.6 1.0
C4 A:U22 4.7 39.9 1.0
NH2 B:ARG403 4.7 50.6 1.0
O A:HOH226 4.7 58.7 1.0
O A:HOH261 5.0 55.2 1.0
CZ B:ARG403 5.0 46.7 1.0

Magnesium binding site 2 out of 2 in 7ox7

Go back to Magnesium Binding Sites List in 7ox7
Magnesium binding site 2 out of 2 in the Target-Bound SPCAS9 Complex with Trac Chimeric Rna-Dna Guide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Target-Bound SPCAS9 Complex with Trac Chimeric Rna-Dna Guide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg102

b:45.3
occ:1.00
OP1 A:U50 2.0 56.9 1.0
O A:HOH253 2.0 44.3 1.0
O A:HOH247 2.0 49.7 1.0
O A:HOH284 2.1 43.8 1.0
O A:HOH268 2.1 43.4 1.0
O A:HOH213 2.2 45.7 1.0
P A:U50 3.2 46.7 1.0
O B:HOH1607 3.8 48.7 1.0
OP2 A:U50 3.9 42.9 1.0
O5' A:U50 3.9 42.8 1.0
O6 A:G62 3.9 52.9 1.0
O B:HOH1645 4.3 51.2 1.0
O A:HOH214 4.3 48.3 1.0
NZ B:LYS1123 4.3 54.7 1.0
OP1 A:A51 4.3 49.4 1.0
C5' A:U50 4.3 43.3 1.0
OP1 A:A52 4.4 54.4 1.0
O3' A:A49 4.4 45.9 1.0
OP2 A:A52 4.5 51.0 1.0
O B:HOH1738 4.5 49.8 1.0
O A:HOH266 4.5 63.1 1.0
O6 A:G53 4.5 53.5 1.0
N7 A:G53 4.6 49.9 1.0
C6 A:G62 4.9 50.5 1.0
N1 A:G62 4.9 50.1 1.0
P A:A52 5.0 48.9 1.0

Reference:

P.D.Donohoue, M.Pacesa, E.Lau, B.Vidal, M.J.Irby, D.B.Nyer, T.Rotstein, L.Banh, M.S.Toh, J.Gibson, B.Kohrs, K.Baek, A.L.G.Owen, E.M.Slorach, M.Van Overbeek, C.K.Fuller, A.P.May, M.Jinek, P.Cameron. Conformational Control of CAS9 By Crispr Hybrid Rna-Dna Guides Mitigates Off-Target Activity in T Cells. Mol.Cell V. 81 3637 2021.
ISSN: ISSN 1097-2765
PubMed: 34478654
DOI: 10.1016/J.MOLCEL.2021.07.035
Page generated: Fri Sep 24 15:45:07 2021

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