Magnesium in PDB 6jdv: Crystal Structure of NME1CAS9 in Complex with Sgrna and Target Dna (Atatgatt Pam) in Catalytic State

The structure of Crystal Structure of NME1CAS9 in Complex with Sgrna and Target Dna (Atatgatt Pam) in Catalytic State, PDB code: 6jdv was solved by W.Sun, J.Yang, Z.Cheng, C.Liu, K.Wang, X.Huang, Y.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.96 / 3.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	130.541, 158.340, 118.253, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 23.1

The binding sites of Magnesium atom in the Crystal Structure of NME1CAS9 in Complex with Sgrna and Target Dna (Atatgatt Pam) in Catalytic State (pdb code 6jdv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of NME1CAS9 in Complex with Sgrna and Target Dna (Atatgatt Pam) in Catalytic State, PDB code: 6jdv:

Magnesium binding site 1 out of 1 in the Crystal Structure of NME1CAS9 in Complex with Sgrna and Target Dna (Atatgatt Pam) in Catalytic State


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 NME1CAS9 in Complex with Sgrna and Target Dna (Atatgatt Pam) in Catalytic State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1101 b:50.6 occ:1.00 OD1 A:ASP587 2.0 56.1 1.0 O3' C:DA14 2.9 43.6 1.0 OD1 A:ASN611 3.0 47.8 1.0 OP1 C:DA15 3.0 51.9 1.0 CG A:ASP587 3.2 53.8 1.0 O A:GLY615 3.3 47.8 1.0 P C:DA15 3.6 49.3 1.0 O A:ALA588 3.6 55.6 1.0 NZ A:LYS614 3.7 55.1 1.0 OD2 A:ASP587 3.9 52.7 1.0 CD A:LYS614 4.0 49.8 1.0 C3' C:DA14 4.1 39.0 1.0 CG A:ASN611 4.1 47.0 1.0 C4' C:DA14 4.1 39.0 1.0 CB A:ASP587 4.3 49.8 1.0 N A:ALA588 4.4 55.3 1.0 C5' C:DA14 4.4 43.6 1.0 O A:ASN611 4.4 51.2 1.0 CE A:LYS614 4.4 46.3 1.0 CG A:LYS614 4.4 50.8 1.0 C A:ALA588 4.5 57.9 1.0 C A:GLY615 4.5 48.3 1.0 CA A:ASP587 4.6 50.6 1.0 O5' C:DA15 4.6 45.6 1.0 ND2 A:ASN611 4.6 49.4 1.0 OP2 C:DA15 4.7 47.9 1.0 CB A:LYS614 4.8 50.4 1.0 C A:ASP587 4.8 51.1 1.0 CA A:ALA588 4.9 56.1 1.0

W.Sun, J.Yang, Z.Cheng, N.Amrani, C.Liu, K.Wang, R.Ibraheim, A.Edraki, X.Huang, M.Wang, J.Wang, L.Liu, G.Sheng, Y.Yang, J.Lou, E.J.Sontheimer, Y.Wang. Structures of Neisseria Meningitidis CAS9 Complexes in Catalytically Poised and Anti-Crispr-Inhibited States. Mol.Cell 2019.
ISSN: ISSN 1097-2765
PubMed: 31668930
DOI: 10.1016/J.MOLCEL.2019.09.025