Chlorine in PDB 5ebd: Crystal Structure of ECCB1 of Mycobacterium Tuberculosis in Spacegroup P21 (State IV)

The structure of Crystal Structure of ECCB1 of Mycobacterium Tuberculosis in Spacegroup P21 (State IV), PDB code: 5ebd was solved by X.L.Zhang, C.Qi, X.Q.Xie, D.F.Li, L.J.Bi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.12 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	30.810, 111.160, 62.740, 90.00, 103.07, 90.00
R / Rfree (%)	21.9 / 28.3

The structure of Crystal Structure of ECCB1 of Mycobacterium Tuberculosis in Spacegroup P21 (State IV) also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of ECCB1 of Mycobacterium Tuberculosis in Spacegroup P21 (State IV) (pdb code 5ebd). 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 ECCB1 of Mycobacterium Tuberculosis in Spacegroup P21 (State IV), PDB code: 5ebd:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of ECCB1 of Mycobacterium Tuberculosis in Spacegroup P21 (State IV)


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 ECCB1 of Mycobacterium Tuberculosis in Spacegroup P21 (State IV) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:68.3 occ:1.00 O A:ILE75 3.4 34.3 1.0 N A:ILE75 3.4 39.1 1.0 CE A:LYS322 3.8 44.1 1.0 O A:THR73 3.9 48.3 1.0 CG2 A:ILE75 4.0 39.6 1.0 NE2 A:GLN364 4.1 51.5 1.0 CA A:SER74 4.1 42.4 1.0 C A:ILE75 4.2 34.6 1.0 O A:ALA98 4.2 36.3 1.0 C A:ALA98 4.2 35.5 1.0 CA A:ILE75 4.3 37.6 1.0 C A:SER74 4.3 41.1 1.0 NE1 A:TRP76 4.3 31.5 1.0 OE1 A:GLN364 4.4 55.9 1.0 CD A:LYS322 4.4 42.8 1.0 N A:MET99 4.6 36.4 1.0 CD A:GLN364 4.6 53.1 1.0 CB A:ALA98 4.6 32.7 1.0 CA A:ALA98 4.6 34.0 1.0 CD1 A:TRP76 4.7 31.3 1.0 CB A:ILE75 4.8 39.1 1.0 CE2 A:TRP76 4.8 30.2 1.0 OG A:SER74 4.8 41.8 1.0 C A:THR73 4.9 48.3 1.0 CA A:MET99 5.0 38.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of ECCB1 of Mycobacterium Tuberculosis in Spacegroup P21 (State IV)


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 ECCB1 of Mycobacterium Tuberculosis in Spacegroup P21 (State IV) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:67.7 occ:1.00 ND2 A:ASN365 3.0 54.7 1.0 CD A:ARG279 3.4 62.3 1.0 CA A:ALA281 3.5 74.5 1.0 N A:ASN365 3.6 50.9 1.0 CB A:ALA281 3.7 74.7 1.0 CB A:ASN365 3.8 52.2 1.0 CG A:ASN365 3.9 53.3 1.0 N A:ALA281 4.0 71.8 1.0 CA A:ASN365 4.2 50.2 1.0 CG A:ARG279 4.3 60.6 1.0 NE A:ARG279 4.4 62.3 1.0 CB A:SER74 4.4 42.2 1.0 CB A:ARG279 4.4 58.4 1.0 C A:GLN364 4.5 50.0 1.0 CA A:GLN364 4.5 51.2 1.0 O A:ARG279 4.5 61.1 1.0 O A:ASN365 4.6 49.8 1.0 CB A:GLN364 4.6 52.3 1.0 C A:ALA281 4.7 77.2 1.0 C A:ASN365 4.9 49.0 1.0 C A:ARG279 5.0 61.0 1.0

X.Q.Xie, X.L.Zhang, C.Qi, D.F.Li, J.Fleming, D.C.Wang, L.J.Bi. Crystallographic Observation of the Movement of the Membrane-Distal Domain of the T7SS Core Component ECCB1 From Mycobacterium Tuberculosis. Acta Crystallogr.,Sect.F V. 72 139 2016.
ISSN: ESSN 2053-230X
PubMed: 26841765
DOI: 10.1107/S2053230X16000212