Chlorine in PDB 4mlo: 1.65A Resolution Structure of Toxt From Vibrio Cholerae (P21 Form)

The structure of 1.65A Resolution Structure of Toxt From Vibrio Cholerae (P21 Form), PDB code: 4mlo was solved by S.Lovell, G.Wehmeyer, K.P.Battaile, J.Li, S.Egan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.74 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.337, 39.410, 80.238, 90.00, 97.94, 90.00
R / Rfree (%)	16.8 / 19.4

The binding sites of Chlorine atom in the 1.65A Resolution Structure of Toxt From Vibrio Cholerae (P21 Form) (pdb code 4mlo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 1.65A Resolution Structure of Toxt From Vibrio Cholerae (P21 Form), PDB code: 4mlo:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the 1.65A Resolution Structure of Toxt From Vibrio Cholerae (P21 Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.65A Resolution Structure of Toxt From Vibrio Cholerae (P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:14.4 occ:1.00 O A:HOH422 3.1 14.1 1.0 NH1 A:ARG221 3.2 10.7 1.0 O A:HOH476 3.3 29.2 1.0 ND2 A:ASN185 3.4 15.2 1.0 NH2 A:ARG221 3.5 11.4 1.0 CA A:ASN185 3.6 7.6 1.0 CZ A:ARG221 3.8 12.4 1.0 O A:HOH406 3.9 16.5 1.0 O A:ARG184 4.0 9.7 1.0 CB A:ASN185 4.1 9.7 1.0 O A:HOH579 4.2 43.2 1.0 CG A:ASN185 4.3 13.8 1.0 C A:ASN185 4.3 10.4 1.0 N A:TRP186 4.3 10.2 1.0 O A:HOH578 4.5 28.6 1.0 O A:HOH553 4.5 31.7 1.0 N A:ASN185 4.5 10.4 1.0 C A:ARG184 4.6 9.2 1.0 O A:HOH418 4.9 14.6 1.0 O A:GLY244 5.0 13.2 1.0 O A:TRP186 5.0 11.1 1.0

Chlorine binding site 2 out of 3 in the 1.65A Resolution Structure of Toxt From Vibrio Cholerae (P21 Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.65A Resolution Structure of Toxt From Vibrio Cholerae (P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:17.2 occ:1.00 O A:HOH565 3.2 27.4 1.0 NE A:ARG196 3.3 17.7 1.0 NH2 A:ARG196 3.4 21.4 1.0 CZ A:ARG196 3.8 19.4 1.0 CG A:ARG196 4.4 14.3 1.0 CD A:ARG196 4.4 15.3 1.0

Chlorine binding site 3 out of 3 in the 1.65A Resolution Structure of Toxt From Vibrio Cholerae (P21 Form)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.65A Resolution Structure of Toxt From Vibrio Cholerae (P21 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:18.4 occ:1.00 O A:HOH415 3.1 18.0 1.0 NE1 A:TRP188 3.2 10.4 1.0 N A:PHE213 3.3 10.9 1.0 O A:HOH448 3.3 18.6 1.0 O A:HOH556 3.6 44.4 1.0 O A:HOH464 3.7 37.4 1.0 CA A:LYS212 3.8 13.3 1.0 CB A:PHE213 4.0 12.7 1.0 C A:LYS212 4.0 10.2 1.0 CB A:LYS212 4.0 19.8 1.0 CD1 A:TRP188 4.0 9.1 1.0 CA A:PHE213 4.1 10.2 1.0 NH1 A:ARG199 4.2 12.1 1.0 CE2 A:TRP188 4.3 12.1 1.0 CG A:LYS212 4.4 26.0 1.0 CD2 A:LEU206 4.4 15.9 1.0 CZ2 A:TRP188 4.7 10.3 1.0 O A:VAL211 4.9 16.9 1.0 O A:HOH503 4.9 31.7 1.0

J.Li, G.Wehmeyer, S.Lovell, K.P.Battaile, S.M.Egan. 1.65 Angstrom Resolution Structure of the Arac-Family Transcriptional Activator Toxt From Vibrio Cholerae. Acta Crystallogr F Struct V. 72 726 2016BIOL Commun.
ISSN: ESSN 1744-3091
PubMed: 27599865
DOI: 10.1107/S2053230X1601298X