Chlorine in PDB 7vti: Crystal Structure of the CAS13BT3-Crrna Binary Complex

The structure of Crystal Structure of the CAS13BT3-Crrna Binary Complex, PDB code: 7vti was solved by R.Nakagawa, N.S.Takeda, A.Tomita, H.Hirano, T.Kusakizako, T.Nishizawa, K.Yamashita, H.Nishimasu, O.Nureki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.99 / 1.89
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.434, 95.452, 125.283, 90, 90, 90
R / Rfree (%)	19.6 / 24.3

The structure of Crystal Structure of the CAS13BT3-Crrna Binary Complex also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Magnesium	(Mg)	3 atoms

The binding sites of Chlorine atom in the Crystal Structure of the CAS13BT3-Crrna Binary Complex (pdb code 7vti). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the CAS13BT3-Crrna Binary Complex, PDB code: 7vti:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of the CAS13BT3-Crrna Binary Complex


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Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the CAS13BT3-Crrna Binary Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:37.2 occ:1.00 NH2 A:ARG608 3.4 73.0 1.0 NH1 A:ARG608 3.4 75.7 1.0 N A:TRP196 3.6 43.2 1.0 N A:ASP197 3.7 45.2 1.0 CA A:ALA195 3.8 52.7 1.0 CG2 A:VAL200 3.8 48.7 1.0 CZ A:ARG608 3.9 80.8 1.0 CB A:ALA195 3.9 55.6 1.0 CD1 A:TRP196 3.9 46.3 1.0 CB A:ASP197 3.9 48.5 1.0 NE1 A:TRP196 4.0 46.4 1.0 CD2 A:LEU611 4.1 90.4 1.0 C A:ALA195 4.1 43.0 1.0 CG A:TRP196 4.3 46.1 1.0 CB A:VAL200 4.4 42.5 1.0 CA A:ASP197 4.4 46.2 1.0 CE2 A:TRP196 4.4 47.9 1.0 CA A:TRP196 4.6 45.6 1.0 O A:ASP197 4.6 48.8 1.0 CD2 A:TRP196 4.6 45.5 1.0 C A:TRP196 4.6 43.6 1.0 CG1 A:VAL200 4.7 44.9 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of the CAS13BT3-Crrna Binary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the CAS13BT3-Crrna Binary Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:47.0 occ:1.00 N A:LYS188 3.1 44.3 1.0 NE A:ARG51 3.6 58.5 1.0 CD A:ARG191 3.6 50.7 1.0 CG A:LYS188 3.7 62.8 1.0 CA A:LEU187 3.7 38.9 1.0 CZ A:ARG51 3.9 58.4 1.0 C A:LEU187 3.9 36.3 1.0 CB A:LYS188 4.0 51.5 1.0 NH2 A:ARG51 4.0 50.7 1.0 CA A:LYS188 4.2 46.5 1.0 CD A:ARG51 4.2 58.3 1.0 CB A:LEU187 4.2 38.7 1.0 CD A:LYS188 4.3 74.2 1.0 CB A:ARG191 4.3 51.2 1.0 NZ A:LYS188 4.3 82.9 1.0 CG A:ARG191 4.4 49.0 1.0 NE A:ARG191 4.4 52.9 1.0 NH1 A:ARG51 4.6 52.4 1.0 CD2 A:LEU187 4.8 44.5 1.0 OE2 A:GLU47 4.8 57.7 1.0 O A:CYS186 4.8 37.7 0.5 O A:LYS188 4.9 39.1 1.0 CE A:LYS188 4.9 79.0 1.0 CA A:ARG191 4.9 45.9 1.0 N A:LEU187 5.0 37.4 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of the CAS13BT3-Crrna Binary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the CAS13BT3-Crrna Binary Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:49.3 occ:1.00 NE A:ARG494 2.8 57.5 1.0 CG A:ARG494 3.2 51.9 1.0 NH1 A:ARG497 3.5 115.3 1.0 CD A:ARG494 3.6 55.7 1.0 CZ A:ARG494 3.7 60.4 1.0 NH1 A:ARG494 3.7 68.1 1.0 CB A:TYR506 4.0 34.4 1.0 O A:LYS502 4.0 52.0 1.0 C A:LYS502 4.1 62.0 1.0 CZ A:ARG497 4.2 118.6 1.0 CA A:LEU503 4.2 42.4 1.0 CG A:TYR506 4.2 35.2 1.0 N A:LEU503 4.2 49.6 1.0 CB A:LYS502 4.2 73.9 1.0 CD2 A:TYR506 4.4 34.1 1.0 CD1 A:LEU503 4.4 44.4 1.0 O A:ARG494 4.5 46.7 1.0 O A:HOH917 4.5 52.3 1.0 NH2 A:ARG497 4.6 118.7 1.0 CB A:ARG494 4.6 43.2 1.0 CD1 A:TYR506 4.8 37.0 1.0 CB A:LEU503 4.8 42.8 1.0 CE A:LYS502 4.8 116.8 1.0 CA A:LYS502 4.9 62.2 1.0 NE A:ARG497 4.9 112.8 1.0 NH2 A:ARG494 5.0 57.9 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of the CAS13BT3-Crrna Binary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the CAS13BT3-Crrna Binary Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl804 b:56.4 occ:1.00 NH1 A:ARG657 3.4 58.0 1.0 NH2 A:ARG657 3.6 70.6 1.0 N A:PHE749 3.7 38.5 1.0 C A:LYS748 3.8 37.4 1.0 CZ A:ARG657 3.9 68.5 1.0 CA A:PHE749 3.9 38.0 1.0 C A:PHE749 3.9 41.1 1.0 CG1 A:VAL750 4.1 50.6 1.0 O A:PHE749 4.2 38.0 1.0 CA A:LYS748 4.2 40.7 1.0 O A:LYS748 4.2 38.2 1.0 N A:VAL750 4.4 40.3 1.0 CB A:LYS748 4.8 39.9 1.0 O A:HOH1141 4.8 59.1 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of the CAS13BT3-Crrna Binary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the CAS13BT3-Crrna Binary Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl805 b:48.9 occ:1.00 OG1 A:THR674 3.5 47.3 1.0 CE A:LYS678 4.0 71.1 1.0 CB A:THR674 4.3 47.2 1.0 CA A:THR674 4.4 46.9 1.0 CG2 A:THR674 4.4 50.3 1.0 CD2 A:HIS673 4.5 58.2 1.0 CD A:LYS678 4.6 64.1 1.0 NE2 A:HIS673 4.9 60.6 1.0 N A:THR674 5.0 40.2 1.0

R.Nakagawa, S.Kannan, H.Altae-Tran, S.N.Takeda, A.Tomita, H.Hirano, T.Kusakizako, T.Nishizawa, K.Yamashita, F.Zhang, H.Nishimasu, O.Nureki. Structure and Engineering of the Minimal Type VI Crispr-CAS13BT3. Mol.Cell V. 82 3178 2022.
ISSN: ISSN 1097-2765
PubMed: 36027912
DOI: 10.1016/J.MOLCEL.2022.08.001