Chlorine in PDB 3sz6: ISDX1, An Anthrax Hemophore

The structure of ISDX1, An Anthrax Hemophore, PDB code: 3sz6 was solved by C.B.Poor, A.W.Maresso, F.Murphy, C.He, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.57 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	36.637, 43.659, 47.408, 99.24, 96.53, 107.35
R / Rfree (%)	20.9 / 23.4

The binding sites of Chlorine atom in the ISDX1, An Anthrax Hemophore (pdb code 3sz6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the ISDX1, An Anthrax Hemophore, PDB code: 3sz6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the ISDX1, An Anthrax Hemophore


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of ISDX1, An Anthrax Hemophore within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:35.1 occ:1.00 O A:HOH15 3.3 24.6 1.0 NH1 A:ARG143 3.4 20.0 1.0 NZ A:LYS122 3.5 26.5 1.0 CE A:LYS122 3.8 27.4 1.0 O A:HOH150 4.0 28.7 1.0 OD1 A:ASP50 4.0 22.2 1.0 CD A:LYS122 4.1 24.8 1.0 OD2 A:ASP50 4.6 27.4 1.0 CZ A:ARG143 4.6 25.1 1.0 CG A:ASP50 4.7 22.1 1.0 CZ3 A:TRP45 4.7 21.7 1.0

Chlorine binding site 2 out of 2 in the ISDX1, An Anthrax Hemophore


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of ISDX1, An Anthrax Hemophore within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:35.6 occ:1.00 O B:HOH21 3.3 26.4 1.0 NH1 B:ARG143 3.5 24.5 1.0 NZ B:LYS122 3.8 26.1 1.0 CE B:LYS122 3.9 31.1 1.0 O B:HOH176 4.0 26.4 1.0 CD B:LYS122 4.0 27.6 1.0 OD1 B:ASP50 4.1 23.3 1.0 OD2 B:ASP50 4.6 31.8 1.0 CZ B:ARG143 4.7 29.7 1.0 CZ3 B:TRP45 4.7 24.2 1.0 CG B:ASP50 4.7 29.6 1.0

M.T.Ekworomadu, C.B.Poor, C.P.Owens, M.A.Balderas, M.Fabian, J.S.Olson, F.Murphy, E.Balkabasi, E.S.Honsa, C.He, C.W.Goulding, A.W.Maresso. Differential Function of Lip Residues in the Mechanism and Biology of An Anthrax Hemophore. Plos Pathog. V. 8 02559 2012.
ISSN: ISSN 1553-7366
PubMed: 22412371
DOI: 10.1371/JOURNAL.PPAT.1002559