Chlorine in PDB 8a1l: Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Alpha-Chloro Ketone 2

The structure of Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Alpha-Chloro Ketone 2, PDB code: 8a1l was solved by M.De Munnik, P.A.Lang, J.Brem, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.69 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.756, 94.772, 75.745, 90, 92.9, 90
R / Rfree (%)	21.4 / 24.7

The structure of Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Alpha-Chloro Ketone 2 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Alpha-Chloro Ketone 2 (pdb code 8a1l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Alpha-Chloro Ketone 2, PDB code: 8a1l:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Alpha-Chloro Ketone 2


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 Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Alpha-Chloro Ketone 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:65.1 occ:1.00 O A:HOH679 3.3 50.9 1.0 C2 A:DMS505 3.4 68.7 1.0 CB A:SER351 3.5 46.3 1.0 CA A:SER351 3.6 49.5 1.0 ND2 A:ASN356 3.7 45.5 1.0 OD1 A:ASN356 3.7 43.6 1.0 C1 A:DMS505 3.8 63.6 1.0 N A:HIS352 4.0 54.1 1.0 CG A:ASN356 4.1 44.8 1.0 NE1 A:TRP340 4.1 53.0 1.0 CZ2 A:TRP340 4.1 52.1 1.0 C A:SER351 4.3 51.8 1.0 S A:DMS505 4.4 72.1 1.0 CE2 A:TRP340 4.5 52.6 1.0 CD2 A:HIS352 4.5 64.3 1.0 NE2 A:HIS336 4.7 44.8 1.0 OG A:SER351 4.7 45.1 1.0 N A:SER351 4.8 48.7 1.0 CE1 A:HIS336 4.8 45.0 1.0 O13 A:KS9501 4.9 50.3 1.0 CB A:CYS354 4.9 42.7 1.0 O A:DMS505 5.0 66.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Alpha-Chloro Ketone 2


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 Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Alpha-Chloro Ketone 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl507 b:65.4 occ:1.00 CD1 B:TYR318 3.8 59.4 1.0 OG1 B:THR320 4.1 53.4 1.0 CG B:TYR318 4.1 61.8 1.0 CB B:THR320 4.1 51.0 1.0 CE1 B:TYR318 4.2 58.7 1.0 NA B:NA506 4.2 60.8 1.0 CB B:TYR318 4.4 60.4 1.0 CD2 B:TYR318 4.7 61.4 1.0 CZ2 B:TRP340 4.8 65.7 1.0 CB B:MET303 4.8 55.0 1.0 CZ B:TYR318 4.8 61.0 1.0 CG2 B:THR320 4.8 51.9 1.0 SD B:MET303 4.9 56.0 1.0

M.De Munnik, P.A.Lang, J.Brem, C.J.Schofield. Crystal Structure of the Transpeptidase LDTMT2 From Mycobacterium Tuberculosis in Complex with Alpha-Chloro Ketone 2 To Be Published.