Chlorine in PDB 6h40: High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol.

The structure of High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol., PDB code: 6h40 was solved by P.J.B.Pereira, J.Ripoll-Rozada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.99 / 1.05
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	113.134, 113.134, 41.107, 90.00, 90.00, 120.00
R / Rfree (%)	10.8 / 12

The structure of High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol. also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol. (pdb code 6h40). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol., PDB code: 6h40:

Chlorine binding site 1 out of 1 in the High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Resolution Structure of MET1 From Mycobacterium Hassiacum in Complex with 3-Methoxy-1,2-Propanediol. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl608 b:13.6 occ:1.00 HN62 A:SAH605 2.2 13.5 1.0 H A:ALA125 2.3 12.5 1.0 HB3 A:LYS123 2.7 11.8 1.0 HD2 A:ARG151 3.0 32.1 1.0 HB3 A:ALA125 3.2 16.6 1.0 N6 A:SAH605 3.2 11.2 1.0 N A:ALA125 3.2 10.4 1.0 HE A:ARG151 3.2 32.2 1.0 HB3 A:SER124 3.2 14.3 1.0 NE A:ARG151 3.3 26.9 1.0 HB2 A:ALA125 3.3 16.6 1.0 H A:SER124 3.3 11.1 1.0 N A:SER124 3.6 9.3 1.0 CB A:ALA125 3.6 13.9 1.0 CD A:ARG151 3.6 26.8 1.0 HN61 A:SAH605 3.7 13.5 1.0 CZ A:ARG151 3.7 25.1 1.0 CB A:LYS123 3.7 9.9 1.0 HD3 A:LYS123 3.8 13.1 1.0 CA A:ALA125 4.0 11.4 1.0 C A:LYS123 4.1 9.6 1.0 CB A:SER124 4.1 11.9 1.0 HH21 A:ARG151 4.1 32.7 1.0 NH2 A:ARG151 4.1 27.2 1.0 CA A:SER124 4.1 9.9 1.0 C A:SER124 4.1 9.7 1.0 C6 A:SAH605 4.1 9.3 1.0 N1 A:SAH605 4.2 9.5 1.0 HB2 A:LYS123 4.2 11.8 1.0 HA A:LYS123 4.2 10.7 1.0 H A:VAL126 4.2 12.5 1.0 CA A:LYS123 4.3 8.9 1.0 HD3 A:ARG151 4.3 32.1 1.0 NH1 A:ARG151 4.3 31.8 1.0 HG2 A:ARG151 4.3 25.7 1.0 HH11 A:ARG151 4.4 38.1 1.0 HG2 A:LYS123 4.4 12.3 1.0 CG A:LYS123 4.5 10.3 1.0 HB1 A:ALA125 4.5 16.6 1.0 CD A:LYS123 4.5 10.9 1.0 O A:HOH774 4.5 16.1 1.0 HB2 A:SER124 4.6 14.3 1.0 O A:HOH925 4.6 40.0 1.0 CG A:ARG151 4.6 21.4 1.0 HH22 A:ARG151 4.7 32.7 1.0 HA A:ALA125 4.7 13.7 1.0 HG23 A:VAL126 4.7 13.8 1.0 O A:LYS123 4.8 9.9 1.0 HH12 A:ARG151 4.8 38.1 1.0 N A:VAL126 4.9 10.4 1.0 HD2 A:LYS123 4.9 13.1 1.0 C A:ALA125 5.0 10.9 1.0

J.Ripoll-Rozada, M.Costa, J.A.Manso, A.Maranha, V.Miranda, A.Sequeira, M.R.Ventura, S.Macedo-Ribeiro, P.J.B.Pereira, N.Empadinhas. Biosynthesis of Mycobacterial Methylmannose Polysaccharides Requires A Unique 1-O-Methyltransferase Specific For 3-O-Methylated Mannosides. Proc. Natl. Acad. Sci. V. 116 835 2019U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30606802
DOI: 10.1073/PNAS.1813450116