Bromine in PDB 6arz: Structure of A Phage Anti-Crispr Protein

The structure of Structure of A Phage Anti-Crispr Protein, PDB code: 6arz was solved by C.Calmettes, M.Shah, A.Pawluk, A.R.Davidson, K.L.Maxwell, T.F.Moraes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.18 / 2.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.137, 63.959, 59.701, 90.00, 100.94, 90.00
R / Rfree (%)	18 / 22.1

The binding sites of Bromine atom in the Structure of A Phage Anti-Crispr Protein (pdb code 6arz). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Structure of A Phage Anti-Crispr Protein, PDB code: 6arz:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in the Structure of A Phage Anti-Crispr Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of A Phage Anti-Crispr Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Br201 b:1.0 occ:0.70 NZ A:LYS75 3.1 87.2 1.0 NE2 B:GLN39 3.4 56.3 1.0 CG B:GLN39 3.5 45.5 1.0 CE A:LYS75 3.6 85.5 1.0 CD B:GLN39 3.7 53.4 1.0 CE2 B:PHE38 4.3 55.8 1.0 CD2 B:PHE38 4.4 56.6 1.0 CD1 B:LEU35 4.5 60.5 1.0 OE1 B:GLN39 4.7 57.0 1.0 CD A:LYS75 4.7 83.2 1.0 CB B:GLN39 4.8 41.1 1.0

Bromine binding site 2 out of 5 in the Structure of A Phage Anti-Crispr Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of A Phage Anti-Crispr Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Br202 b:89.7 occ:0.70 O B:HOH327 3.0 53.2 1.0 OG B:SER34 3.0 53.1 1.0 NE2 B:GLN9 3.3 62.1 1.0 O B:HOH329 3.3 50.5 1.0 CD2 B:LEU5 3.8 41.2 1.0 CB B:SER34 4.0 49.5 1.0 CD1 B:LEU5 4.1 40.7 1.0 CA B:SER34 4.2 45.0 1.0 CG B:LEU5 4.2 41.1 1.0 CD B:GLN9 4.3 59.5 1.0 CG B:GLN9 4.4 54.8 1.0 N B:SER34 4.8 42.8 1.0

Bromine binding site 3 out of 5 in the Structure of A Phage Anti-Crispr Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of A Phage Anti-Crispr Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Br203 b:78.3 occ:0.70 NE B:ARG56 3.0 62.4 1.0 NH2 B:ARG56 3.2 64.7 1.0 O B:HOH325 3.2 53.9 1.0 CZ B:ARG56 3.5 63.3 1.0 CA B:TYR53 3.9 47.9 1.0 CD1 B:TYR53 4.1 53.9 1.0 CD B:ARG56 4.1 57.5 1.0 CB B:TYR53 4.1 47.5 1.0 O B:HOH306 4.4 46.7 1.0 N B:TYR53 4.5 42.5 1.0 CB B:ARG56 4.5 43.4 1.0 CG B:TYR53 4.6 48.5 1.0 CG B:ARG56 4.8 53.4 1.0 NH1 B:ARG56 4.8 57.9 1.0 C B:TYR53 5.0 50.7 1.0 O B:TYR53 5.0 48.8 1.0 C B:ASN52 5.0 40.5 1.0

Bromine binding site 4 out of 5 in the Structure of A Phage Anti-Crispr Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of A Phage Anti-Crispr Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Br204 b:54.9 occ:0.30 N B:TYR91 3.2 65.5 1.0 CA B:VAL90 3.4 67.3 1.0 CG1 B:VAL90 3.5 75.9 1.0 C B:VAL90 3.8 63.6 1.0 CD2 B:TYR91 3.8 69.1 1.0 CB B:VAL90 3.9 75.4 1.0 O B:ARG89 4.0 74.0 1.0 CD1 C:LEU35 4.2 47.3 1.0 CA B:TYR91 4.3 61.9 1.0 CB B:TYR91 4.3 60.8 1.0 CG2 B:VAL90 4.4 80.5 1.0 O B:TYR91 4.5 76.4 1.0 N B:VAL90 4.5 67.3 1.0 CG B:TYR91 4.6 64.2 1.0 CE2 C:PHE38 4.6 44.3 1.0 O B:HOH326 4.7 61.3 1.0 C B:ARG89 4.7 68.0 1.0 C B:TYR91 4.8 69.7 1.0 CE2 B:TYR91 4.8 68.4 1.0 CD2 C:PHE38 4.9 43.9 1.0 O B:HOH317 4.9 52.9 1.0

Bromine binding site 5 out of 5 in the Structure of A Phage Anti-Crispr Protein


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of A Phage Anti-Crispr Protein within 5.0Å range: probe atom residue distance (Å) B Occ C:Br201 b:61.0 occ:0.45 O C:HOH322 2.8 44.7 1.0 O C:HOH330 3.0 51.2 1.0 OG C:SER34 3.1 47.6 1.0 O C:HOH328 3.1 49.2 1.0 NE2 C:GLN9 3.4 57.6 1.0 CB C:SER34 4.0 42.9 1.0 CD2 C:LEU5 4.1 31.9 1.0 CA C:SER34 4.1 35.2 1.0 CD C:GLN9 4.6 57.3 1.0 NE C:ARG89 4.6 25.3 1.0 CD1 C:LEU5 4.7 33.7 1.0 CG C:LEU5 4.7 34.7 1.0 CB C:VAL37 4.8 33.5 1.0 CG1 C:VAL37 4.9 30.9 1.0 CG C:GLN9 4.9 47.5 1.0 CG2 C:VAL37 4.9 33.6 1.0 N C:SER34 5.0 31.1 1.0

A.Pawluk, M.Shah, M.Mejdani, C.Calmettes, T.F.Moraes, A.R.Davidson, K.L.Maxwell. Disabling A Type I-E Crispr-Cas Nuclease with A Bacteriophage-Encoded Anti-Crispr Protein. Mbio V. 8 2017.
ISSN: ESSN 2150-7511
PubMed: 29233895
DOI: 10.1128/MBIO.01751-17