Chlorine in PDB 5vyq: Crystal Structure of the N-Formyltransferase RV3404C From Mycobacterium Tuberculosis in Complex with Ydp-QUI4N and Folinic Acid

The structure of Crystal Structure of the N-Formyltransferase RV3404C From Mycobacterium Tuberculosis in Complex with Ydp-QUI4N and Folinic Acid, PDB code: 5vyq was solved by M.M.Dunsirn, J.B.Thoden, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.486, 73.018, 173.265, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 20

The structure of Crystal Structure of the N-Formyltransferase RV3404C From Mycobacterium Tuberculosis in Complex with Ydp-QUI4N and Folinic Acid also contains other interesting chemical elements:

Potassium	(K)	1 atom
Sodium	(Na)	4 atoms

The binding sites of Chlorine atom in the Crystal Structure of the N-Formyltransferase RV3404C From Mycobacterium Tuberculosis in Complex with Ydp-QUI4N and Folinic Acid (pdb code 5vyq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the N-Formyltransferase RV3404C From Mycobacterium Tuberculosis in Complex with Ydp-QUI4N and Folinic Acid, PDB code: 5vyq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the N-Formyltransferase RV3404C From Mycobacterium Tuberculosis in Complex with Ydp-QUI4N and Folinic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the N-Formyltransferase RV3404C From Mycobacterium Tuberculosis in Complex with Ydp-QUI4N and Folinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:16.9 occ:1.00 O A:HOH649 2.8 29.4 1.0 OG A:SER134 2.9 11.3 1.0 O A:HOH567 3.0 16.6 1.0 N A:ASP206 3.2 11.8 1.0 CA A:GLY136 3.6 10.1 1.0 CA A:HIS205 3.7 10.8 1.0 O A:THR204 3.8 10.4 1.0 N A:GLY136 3.8 9.5 1.0 CB A:SER134 3.8 8.7 1.0 C1 A:EDO304 3.9 30.3 1.0 C2 A:EDO304 3.9 26.6 1.0 C A:HIS205 4.0 10.9 1.0 CG2 A:THR204 4.0 10.3 1.0 N A:HIS205 4.0 9.5 1.0 C A:THR204 4.1 9.9 1.0 CA A:ASP206 4.1 13.8 1.0 N A:SER137 4.1 9.7 1.0 C A:GLY136 4.2 10.0 1.0 OD1 A:ASP206 4.3 23.0 1.0 O A:HOH694 4.8 32.4 1.0 O A:ASP206 4.9 15.1 1.0 CG A:ASP206 4.9 19.3 1.0 CB A:THR204 4.9 10.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the N-Formyltransferase RV3404C From Mycobacterium Tuberculosis in Complex with Ydp-QUI4N and Folinic Acid


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 N-Formyltransferase RV3404C From Mycobacterium Tuberculosis in Complex with Ydp-QUI4N and Folinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:27.9 occ:1.00 O B:HOH622 2.9 35.2 1.0 O B:HOH657 3.0 30.9 1.0 NH1 A:ARG190 3.1 16.7 1.0 CD A:ARG190 3.5 20.4 1.0 CA B:GLY191 3.7 13.7 1.0 N B:GLY191 3.7 13.5 1.0 C B:ARG190 3.9 13.1 1.0 CB B:ARG190 4.0 16.6 1.0 CG A:ARG190 4.1 19.5 1.0 CZ A:ARG190 4.1 18.0 1.0 O B:ARG190 4.1 14.9 1.0 NE A:ARG190 4.2 17.7 1.0 C B:GLY191 4.2 13.1 1.0 CB A:ARG190 4.4 16.7 1.0 O B:GLY191 4.6 13.4 1.0 CA B:ARG190 4.6 14.7 1.0 NE B:ARG190 4.8 24.4 1.0 N B:THR192 4.9 12.4 1.0 O B:HOH621 5.0 18.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the N-Formyltransferase RV3404C From Mycobacterium Tuberculosis in Complex with Ydp-QUI4N and Folinic Acid


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 N-Formyltransferase RV3404C From Mycobacterium Tuberculosis in Complex with Ydp-QUI4N and Folinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:18.9 occ:1.00 O B:HOH649 2.9 33.9 1.0 O B:HOH626 3.0 19.8 1.0 OG B:SER134 3.0 10.2 1.0 N B:ASP206 3.2 12.5 1.0 CA B:GLY136 3.5 10.0 1.0 O B:THR204 3.7 10.3 1.0 CA B:HIS205 3.8 10.8 1.0 N B:GLY136 3.8 8.8 1.0 CB B:SER134 3.9 10.0 1.0 CG2 B:THR204 4.0 10.7 1.0 C B:HIS205 4.0 11.3 1.0 N B:HIS205 4.0 10.7 1.0 C B:THR204 4.0 10.5 1.0 N B:SER137 4.1 10.7 1.0 CA B:ASP206 4.1 15.2 1.0 C B:GLY136 4.1 11.5 1.0 OD1 B:ASP206 4.2 26.8 1.0 O B:ASP206 4.8 16.7 1.0 O B:HOH712 4.8 39.8 1.0 CG B:ASP206 4.9 24.0 1.0 CB B:THR204 4.9 9.7 1.0 O B:HOH739 4.9 38.9 1.0

M.M.Dunsirn, J.B.Thoden, M.Gilbert, H.M.Holden. Biochemical Investigation of RV3404C From Mycobacterium Tuberculosis. Biochemistry V. 56 3818 2017.
ISSN: ISSN 1520-4995
PubMed: 28665588
DOI: 10.1021/ACS.BIOCHEM.7B00506