Chlorine in PDB 4e1s: X-Ray Crystal Structure of the Transmembrane Beta-Domain From Intimin From Ehec Strain O157:H7

The structure of X-Ray Crystal Structure of the Transmembrane Beta-Domain From Intimin From Ehec Strain O157:H7, PDB code: 4e1s was solved by J.W.Fairman, N.Dautin, D.Wojtowicz, L.Wei, N.Noinaj, T.J.Barnard, E.Udho, A.Finkelstein, T.M.Przytycka, V.Cherezov, S.K.Buchanan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.90 / 1.85
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	116.565, 120.248, 39.093, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 23.3

The binding sites of Chlorine atom in the X-Ray Crystal Structure of the Transmembrane Beta-Domain From Intimin From Ehec Strain O157:H7 (pdb code 4e1s). 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 X-Ray Crystal Structure of the Transmembrane Beta-Domain From Intimin From Ehec Strain O157:H7, PDB code: 4e1s:

Chlorine binding site 1 out of 1 in the X-Ray Crystal Structure of the Transmembrane Beta-Domain From Intimin From Ehec Strain O157:H7


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystal Structure of the Transmembrane Beta-Domain From Intimin From Ehec Strain O157:H7 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:30.0 occ:1.00 NH1 A:ARG333 3.2 23.8 1.0 O A:HOH720 3.3 32.3 1.0 ND2 A:ASN335 3.3 22.3 1.0 O A:HOH676 3.6 41.3 1.0 CD A:ARG333 3.7 15.8 1.0 CB A:GLN439 4.0 18.5 1.0 CZ A:ARG333 4.2 20.2 1.0 CD1 A:ILE349 4.3 28.8 1.0 CG A:ARG333 4.4 15.4 1.0 CB A:ARG333 4.4 19.5 1.0 NE A:ARG333 4.4 18.1 1.0 CG A:ASN335 4.4 26.1 1.0 CD A:LYS347 4.5 30.6 1.0 OE1 A:GLN439 4.5 29.0 1.0 CD A:GLN439 4.6 25.8 1.0 CA A:GLN439 4.6 19.1 1.0 CE A:LYS347 4.7 36.4 1.0 OD1 A:ASN335 4.7 27.6 1.0 CG A:GLN439 4.7 21.4 1.0 CG A:LYS347 4.8 30.4 1.0 NZ A:LYS347 4.8 33.1 1.0 CG1 A:ILE349 4.9 23.2 1.0 C A:GLN439 5.0 18.9 1.0

J.W.Fairman, N.Dautin, D.Wojtowicz, W.Liu, N.Noinaj, T.J.Barnard, E.Udho, T.M.Przytycka, V.Cherezov, S.K.Buchanan. Crystal Structures of the Outer Membrane Domain of Intimin and Invasin From Enterohemorrhagic E. Coli and Enteropathogenic Y. Pseudotuberculosis. Structure V. 20 1233 2012.
ISSN: ISSN 0969-2126
PubMed: 22658748
DOI: 10.1016/J.STR.2012.04.011