Magnesium in PDB 5fw2: Crystal Structure of SPCAS9 Variant Eqr Bound to Sgrna and Tgag Pam Target Dna

The structure of Crystal Structure of SPCAS9 Variant Eqr Bound to Sgrna and Tgag Pam Target Dna, PDB code: 5fw2 was solved by C.Anders, K.Bargsten, M.Jinek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.25 / 2.68
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	177.740, 68.240, 188.220, 90.00, 110.95, 90.00
R / Rfree (%)	20.5 / 23.1

The structure of Crystal Structure of SPCAS9 Variant Eqr Bound to Sgrna and Tgag Pam Target Dna also contains other interesting chemical elements:

Potassium

(K)

10 atoms

The binding sites of Magnesium atom in the Crystal Structure of SPCAS9 Variant Eqr Bound to Sgrna and Tgag Pam Target Dna (pdb code 5fw2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of SPCAS9 Variant Eqr Bound to Sgrna and Tgag Pam Target Dna, PDB code: 5fw2:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of SPCAS9 Variant Eqr Bound to Sgrna and Tgag Pam Target Dna


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of SPCAS9 Variant Eqr Bound to Sgrna and Tgag Pam Target Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1083 b:63.5 occ:1.00 O A:HOH2024 1.9 45.5 1.0 O A:HOH2023 2.0 30.0 1.0 O A:HOH2021 2.1 35.0 1.0 O A:HOH2087 2.1 38.6 1.0 O A:HOH2039 3.6 44.0 1.0 O4 A:U22 4.2 26.6 1.0 K A:K1182 4.3 79.9 1.0 OP2 A:G21 4.3 29.5 1.0 O A:HOH2043 4.3 35.0 1.0 N7 A:G21 4.5 23.2 1.0 H5 A:U22 4.6 27.4 1.0 H62 A:A48 4.7 23.7 1.0 O A:HOH2022 4.7 30.0 1.0 H61 A:A48 4.7 23.7 1.0 O A:HOH2048 4.8 39.2 1.0 HH12 B:ARG403 4.8 36.4 1.0 H5'' A:A20 4.8 32.3 1.0 HH22 B:ARG403 4.9 40.9 1.0 HZ B:PHE164 4.9 24.7 1.0 HE2 B:PHE164 4.9 24.4 1.0 NH1 B:ARG403 4.9 30.3 1.0 H8 A:G21 5.0 28.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of SPCAS9 Variant Eqr Bound to Sgrna and Tgag Pam Target Dna


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of SPCAS9 Variant Eqr Bound to Sgrna and Tgag Pam Target Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1084 b:45.1 occ:1.00 O A:HOH2064 2.0 35.0 1.0 O A:HOH2054 2.0 35.0 1.0 OP1 A:U50 2.0 22.8 1.0 O A:HOH2052 2.1 35.0 1.0 O A:HOH2055 2.2 35.0 1.0 O A:HOH2053 2.2 35.0 1.0 P A:U50 3.4 19.0 1.0 HZ2 B:LYS1123 3.6 33.0 1.0 H5'' A:U50 4.0 22.5 1.0 O A:HOH2069 4.0 39.2 1.0 OP2 A:U50 4.0 21.5 1.0 O6 A:G62 4.0 27.6 1.0 HZ1 B:LYS1123 4.1 33.0 1.0 O5' A:U50 4.1 20.7 1.0 NZ B:LYS1123 4.2 27.5 1.0 O A:HOH2056 4.2 30.0 1.0 H1 A:G62 4.2 30.3 1.0 HZ3 B:LYS1123 4.2 33.0 1.0 OP1 A:A52 4.3 21.7 1.0 O6 A:G53 4.3 20.3 1.0 O A:HOH2005 4.4 44.6 1.0 OP1 A:A51 4.4 16.5 1.0 OP2 A:A52 4.4 18.1 1.0 C5' A:U50 4.5 18.8 1.0 O3' A:A49 4.5 19.4 1.0 N7 A:G53 4.5 22.9 1.0 H5' A:U50 4.6 22.5 1.0 H5' A:A51 4.6 24.4 1.0 O A:HOH2049 4.8 39.2 1.0 P A:A52 4.9 19.3 1.0 N1 A:G62 4.9 25.3 1.0 HG23 B:THR73 4.9 26.1 1.0 C6 A:G62 4.9 25.8 1.0

C.Anders, K.Bargsten, M.Jinek. Structural Plasticity of Pam Recognition By Engineered Variants of the Rna-Guided Endonuclease CAS9. Mol.Cell V. 61 895 2016.
ISSN: ISSN 1097-2765
PubMed: 26990992
DOI: 10.1016/J.MOLCEL.2016.02.020