Chlorine in PDB 6dtd: High-Resolution Crystal Structure of CAS13B From Prevotella Buccae

The structure of High-Resolution Crystal Structure of CAS13B From Prevotella Buccae, PDB code: 6dtd was solved by I.M.S.Slaymaker, F.Z.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.65 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	90.821, 124.646, 140.728, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 18.5

The structure of High-Resolution Crystal Structure of CAS13B From Prevotella Buccae also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the High-Resolution Crystal Structure of CAS13B From Prevotella Buccae (pdb code 6dtd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the High-Resolution Crystal Structure of CAS13B From Prevotella Buccae, PDB code: 6dtd:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the High-Resolution Crystal Structure of CAS13B From Prevotella Buccae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High-Resolution Crystal Structure of CAS13B From Prevotella Buccae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1208 b:40.9 occ:1.00 HH22 A:ARG402 2.1 45.4 1.0 H A:SER658 2.3 33.1 1.0 HH12 A:ARG402 2.6 43.9 1.0 HG A:SER658 2.7 35.5 0.6 OG A:SER658 2.8 29.6 0.6 HB2 A:ASN657 2.9 34.7 1.0 HB2 A:SER658 2.9 35.0 0.4 NH2 A:ARG402 3.0 37.8 1.0 HB3 A:SER658 3.1 35.5 0.6 OG A:SER658 3.1 28.8 0.4 N A:SER658 3.2 27.6 1.0 NH1 A:ARG402 3.3 36.6 1.0 CB A:SER658 3.4 29.6 0.6 CB A:SER658 3.4 29.2 0.4 CZ A:ARG402 3.6 36.3 1.0 HH21 A:ARG402 3.6 45.4 1.0 C2 C:G2 3.6 29.1 1.0 N1 C:G2 3.6 28.8 1.0 N3 C:G2 3.7 28.7 1.0 C4 C:G2 3.8 27.6 1.0 CB A:ASN657 3.8 28.9 1.0 C6 C:G2 3.8 29.4 1.0 CA A:SER658 3.9 27.9 0.4 CA A:SER658 3.9 27.7 0.6 C5 C:G2 3.9 29.0 1.0 HG A:SER658 3.9 34.6 0.4 H1 C:G2 4.0 34.6 1.0 HA A:ASN657 4.0 32.7 1.0 HH11 A:ARG402 4.1 43.9 1.0 N2 C:G2 4.2 30.9 1.0 C A:ASN657 4.2 25.9 1.0 CA A:ASN657 4.2 27.3 1.0 HB2 A:SER658 4.3 35.5 0.6 HB3 A:SER658 4.3 35.0 0.4 O4 C:U1 4.3 53.0 1.0 HD12 A:LEU404 4.3 48.7 1.0 H A:THR659 4.3 33.8 1.0 HB3 A:ASN657 4.4 34.7 1.0 H21 C:G2 4.4 37.0 1.0 C4 C:U1 4.5 53.8 1.0 O6 C:G2 4.5 32.1 1.0 HA A:SER658 4.5 33.3 1.0 N9 C:G2 4.5 27.9 1.0 H22 C:G2 4.5 37.0 1.0 CG A:ASN657 4.6 29.1 1.0 O A:HOH1886 4.6 55.3 1.0 N7 C:G2 4.7 32.1 1.0 H1' C:G2 4.7 32.8 1.0 N3 C:U1 4.7 54.4 1.0 H3 C:U1 4.8 65.2 1.0 O1 A:CIT1205 4.8 0.0 1.0 OD1 A:ASN657 4.9 29.2 1.0 NE A:ARG402 4.9 36.7 1.0 C8 C:G2 4.9 31.0 1.0 N A:THR659 4.9 28.1 1.0 C5 C:U1 5.0 53.2 1.0 C A:SER658 5.0 28.4 1.0 HD11 A:LEU404 5.0 48.7 1.0

Chlorine binding site 2 out of 2 in the High-Resolution Crystal Structure of CAS13B From Prevotella Buccae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High-Resolution Crystal Structure of CAS13B From Prevotella Buccae within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl101 b:37.6 occ:1.00 O C:HOH312 2.4 26.0 1.0 O6 C:G11 2.4 23.4 1.0 O6 C:G27 2.4 26.3 1.0 O C:HOH224 2.5 25.5 1.0 O C:HOH308 2.5 28.1 1.0 O4 C:U28 2.5 27.7 1.0 H3 C:U28 3.1 31.7 1.0 C6 C:G27 3.4 26.4 1.0 C4 C:U28 3.4 27.4 1.0 H42 C:C12 3.4 30.4 1.0 C6 C:G11 3.6 24.0 1.0 N3 C:U28 3.6 26.4 1.0 N4 C:C12 4.0 25.3 1.0 HZ1 A:LYS741 4.0 50.7 1.0 O4 C:U10 4.0 25.9 1.0 H5 C:U10 4.1 30.5 1.0 OP2 C:C9 4.1 28.9 1.0 O A:HOH1368 4.1 36.5 1.0 H62 C:A29 4.2 31.7 1.0 H1 C:G27 4.2 31.5 1.0 C5 C:G27 4.2 27.0 1.0 N7 C:G11 4.2 23.6 1.0 N1 C:G27 4.2 26.2 1.0 O C:HOH213 4.2 46.8 1.0 H41 C:C12 4.2 30.4 1.0 C5 C:G11 4.3 23.2 1.0 O C:HOH208 4.3 32.3 1.0 H61 C:A29 4.3 31.7 1.0 N7 C:G27 4.4 28.1 1.0 N6 C:A29 4.5 26.4 1.0 HZ2 A:LYS741 4.6 50.7 1.0 O C:HOH345 4.6 39.5 1.0 C4 C:U10 4.6 26.2 1.0 C5 C:U10 4.6 25.4 1.0 NZ A:LYS741 4.7 42.2 1.0 N1 C:G11 4.7 26.1 1.0 C5 C:U28 4.7 27.1 1.0 H1 C:G11 4.7 31.3 1.0 C4 C:C12 4.8 23.7 1.0 C2 C:U28 4.9 26.0 1.0 N3 C:C12 4.9 25.2 1.0 O A:HOH1382 4.9 45.8 1.0 HZ3 A:LYS741 5.0 50.7 1.0

I.M.Slaymaker, P.Mesa, M.J.Kellner, S.Kannan, E.Brignole, J.Koob, P.R.Feliciano, S.Stella, O.O.Abudayyeh, J.S.Gootenberg, J.Strecker, G.Montoya, F.Zhang. High-Resolution Structure of CAS13B and Biochemical Characterization of Rna Targeting and Cleavage. Cell Rep V. 26 3741 2019.
ISSN: ESSN 2211-1247
PubMed: 30917325
DOI: 10.1016/J.CELREP.2019.02.094