Chlorine in PDB 3ntn: Crystal Structure of USPA1 Head and Neck Domain From Moraxella Catarrhalis

The structure of Crystal Structure of USPA1 Head and Neck Domain From Moraxella Catarrhalis, PDB code: 3ntn was solved by R.Conners, N.Zaccai, C.Agnew, N.Burton, R.L.Brady, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	71.42 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.295, 142.847, 50.268, 90.00, 119.96, 90.00
R / Rfree (%)	18.2 / 24.4

The structure of Crystal Structure of USPA1 Head and Neck Domain From Moraxella Catarrhalis also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of USPA1 Head and Neck Domain From Moraxella Catarrhalis (pdb code 3ntn). 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 Crystal Structure of USPA1 Head and Neck Domain From Moraxella Catarrhalis, PDB code: 3ntn:

Chlorine binding site 1 out of 1 in the Crystal Structure of USPA1 Head and Neck Domain From Moraxella Catarrhalis


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 USPA1 Head and Neck Domain From Moraxella Catarrhalis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4 b:39.7 occ:1.00 ND2 C:ASN347 3.2 41.1 1.0 ND2 A:ASN347 3.3 40.0 1.0 ND2 B:ASN347 3.3 38.9 1.0 CG2 B:VAL344 3.9 36.7 1.0 CB C:ASN347 3.9 43.1 1.0 CB B:ASN347 3.9 41.1 1.0 CG1 C:VAL344 4.0 38.7 1.0 CG1 B:VAL344 4.0 38.5 1.0 CG2 C:VAL344 4.0 36.8 1.0 CB A:ASN347 4.0 42.4 1.0 CG2 A:VAL344 4.0 36.6 1.0 CG1 A:VAL344 4.0 39.3 1.0 CA B:VAL344 4.1 40.6 1.0 CA C:VAL344 4.1 41.3 1.0 CG C:ASN347 4.1 42.8 1.0 CA A:VAL344 4.1 41.2 1.0 CG B:ASN347 4.1 40.0 1.0 CG A:ASN347 4.1 41.5 1.0 CB B:VAL344 4.2 40.1 1.0 CB C:VAL344 4.2 39.9 1.0 CB A:VAL344 4.2 40.4 1.0 O C:VAL344 4.5 43.1 1.0 O A:VAL344 4.6 43.3 1.0 O B:VAL344 4.6 42.5 1.0 C C:VAL344 4.8 42.8 1.0 C B:VAL344 4.8 41.9 1.0 C A:VAL344 4.8 42.4 1.0

C.Agnew, E.Borodina, N.R.Zaccai, R.Conners, N.M.Burton, J.A.Vicary, D.K.Cole, M.Antognozzi, M.Virji, R.L.Brady. Correlation of in Situ Mechanosensitive Responses of the Moraxella Catarrhalis Adhesin USPA1 with Fibronectin and Receptor CEACAM1 Binding. Proc.Natl.Acad.Sci.Usa V. 108 15174 2011.
ISSN: ISSN 0027-8424
PubMed: 21876142
DOI: 10.1073/PNAS.1106341108