Chlorine in PDB 6vj5: Structure of PE25-PPE41(A124L) in Complex with ESPG5 Chaperone From the Type VII (Esx-5) Secretion System

The structure of Structure of PE25-PPE41(A124L) in Complex with ESPG5 Chaperone From the Type VII (Esx-5) Secretion System, PDB code: 6vj5 was solved by Z.A.Williamson, K.V.Korotkov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.51 / 2.40
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	139.02, 139.02, 170.57, 90, 90, 120
R / Rfree (%)	21 / 25.4

The binding sites of Chlorine atom in the Structure of PE25-PPE41(A124L) in Complex with ESPG5 Chaperone From the Type VII (Esx-5) Secretion System (pdb code 6vj5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of PE25-PPE41(A124L) in Complex with ESPG5 Chaperone From the Type VII (Esx-5) Secretion System, PDB code: 6vj5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of PE25-PPE41(A124L) in Complex with ESPG5 Chaperone From the Type VII (Esx-5) Secretion System


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of PE25-PPE41(A124L) in Complex with ESPG5 Chaperone From the Type VII (Esx-5) Secretion System within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:80.6 occ:1.00 HH21 B:ARG94 2.8 45.4 1.0 HG3 B:ARG94 3.0 58.9 1.0 NH2 B:ARG94 3.5 37.8 1.0 HG2 B:ARG94 3.6 58.9 1.0 HH22 B:ARG94 3.6 45.4 1.0 CG B:ARG94 3.7 49.0 1.0 HD3 B:ARG94 3.8 46.9 1.0 HB3 B:HIS90 3.8 41.9 1.0 HD2 B:HIS90 4.1 44.6 1.0 HG12 B:VAL93 4.2 41.7 1.0 CD B:ARG94 4.3 39.1 1.0 O B:HIS90 4.3 36.0 1.0 HB B:VAL93 4.5 42.7 1.0 CD2 B:HIS90 4.5 37.2 1.0 CZ B:ARG94 4.5 32.3 1.0 CB B:HIS90 4.6 34.9 1.0 HA B:HIS90 4.6 37.1 1.0 HD21 B:LEU25 4.7 44.8 1.0 OE1 B:GLU97 4.7 43.0 1.0 CG B:HIS90 4.8 25.6 1.0 NE B:ARG94 4.9 36.6 1.0 HG11 B:VAL93 4.9 41.7 1.0 CG1 B:VAL93 4.9 34.7 1.0 H B:ARG94 4.9 46.8 1.0 HA B:ARG94 4.9 38.9 1.0 CB B:ARG94 5.0 31.4 1.0

Chlorine binding site 2 out of 2 in the Structure of PE25-PPE41(A124L) in Complex with ESPG5 Chaperone From the Type VII (Esx-5) Secretion System


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of PE25-PPE41(A124L) in Complex with ESPG5 Chaperone From the Type VII (Esx-5) Secretion System within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:78.4 occ:1.00 HE22 B:GLN81 2.2 52.5 1.0 H B:LYS168 2.4 59.9 1.0 NE2 B:GLN81 3.0 43.7 1.0 HB2 B:LYS168 3.0 67.5 1.0 N B:LYS168 3.2 49.9 1.0 HE21 B:GLN81 3.3 52.5 1.0 HE1 B:TRP74 3.3 53.0 1.0 HE3 B:TRP167 3.4 46.1 1.0 HD12 B:LEU78 3.4 44.3 1.0 HA B:TRP167 3.5 46.2 1.0 O B:LYS168 3.6 52.6 1.0 NE1 B:TRP74 3.7 44.2 1.0 CB B:LYS168 3.8 56.3 1.0 HD13 B:LEU78 3.8 44.3 1.0 HA B:LEU78 3.8 53.4 1.0 CA B:LYS168 3.9 53.1 1.0 HB2 B:LEU78 3.9 49.7 1.0 HG3 B:LYS168 4.1 77.1 1.0 CD B:GLN81 4.1 46.0 1.0 CD1 B:LEU78 4.1 36.9 1.0 C B:LYS168 4.2 49.5 1.0 CD1 B:TRP74 4.2 36.5 1.0 C B:TRP167 4.2 47.8 1.0 CA B:TRP167 4.2 38.5 1.0 CE2 B:TRP74 4.3 31.3 1.0 CE3 B:TRP167 4.3 38.4 1.0 HD1 B:TRP74 4.3 43.8 1.0 OE1 B:GLN81 4.3 55.7 1.0 HG21 A:THR65 4.3 56.8 1.0 CG B:LYS168 4.5 64.2 1.0 HB3 B:TRP167 4.5 52.1 1.0 CA B:LEU78 4.5 44.5 1.0 HB3 B:LYS168 4.5 67.5 1.0 HZ2 B:TRP74 4.5 40.8 1.0 HD2 B:LYS168 4.6 88.8 1.0 CB B:LEU78 4.6 41.4 1.0 HB3 B:ASP77 4.6 58.2 1.0 N B:LEU78 4.6 45.0 1.0 HB2 B:ASP77 4.6 58.2 1.0 CZ2 B:TRP74 4.7 34.0 1.0 HZ3 B:TRP167 4.7 52.9 1.0 H B:LEU78 4.7 54.0 1.0 HD11 B:LEU78 4.8 44.3 1.0 HA B:LYS168 4.8 63.7 1.0 O B:PRO166 4.9 44.4 1.0 O B:TRP74 4.9 45.8 1.0 CB B:TRP167 4.9 43.4 1.0 CG B:LEU78 5.0 41.0 1.0

Z.A.Williamson, N.Korotkova, K.V.Korotkov. Molecular Basis of Diverse Substrate Recognition By ESPG5 Chaperone From Mycobacterial Esx-5 Type VII Secretion System. To Be Published.