Chlorine in PDB 4lo5: HA70-ALPHA2,3-Sialc

The structure of HA70-ALPHA2,3-Sialc, PDB code: 4lo5 was solved by K.Lee, S.Gu, L.Jin, T.T.Le, L.W.Cheng, J.Strotmeier, A.M.Kruel, G.Yao, K.Perry, A.Rummel, R.Jin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.72 / 2.70
Space group	I 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	260.740, 260.740, 260.740, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 20.8

The binding sites of Chlorine atom in the HA70-ALPHA2,3-Sialc (pdb code 4lo5). 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 HA70-ALPHA2,3-Sialc, PDB code: 4lo5:

Chlorine binding site 1 out of 1 in the HA70-ALPHA2,3-Sialc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HA70-ALPHA2,3-Sialc within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl704 b:49.1 occ:1.00 N B:TYR561 3.0 45.0 1.0 N B:ASN562 3.1 47.6 1.0 N B:ARG619 3.1 52.1 1.0 N B:SER560 3.3 55.3 1.0 O B:HOH806 3.4 55.0 1.0 CB B:THR559 3.7 49.2 1.0 CA B:TYR561 3.8 56.6 1.0 CA B:ILE618 3.8 44.7 1.0 C B:TYR561 3.9 53.1 1.0 CB B:ASN562 3.9 43.2 1.0 C B:SER560 3.9 53.4 1.0 CA B:SER560 3.9 52.6 1.0 C B:ILE618 4.0 49.8 1.0 O B:ARG619 4.0 63.8 1.0 CA B:ASN562 4.0 50.4 1.0 CA B:ARG619 4.0 47.8 1.0 CB B:TYR561 4.1 42.9 1.0 CB B:ARG619 4.1 40.7 1.0 CG1 B:ILE618 4.1 48.1 1.0 C B:THR559 4.2 50.8 1.0 CB B:SER560 4.2 53.7 1.0 O B:ASN617 4.2 45.9 1.0 O B:ASN562 4.3 58.0 1.0 CA B:THR559 4.3 49.5 1.0 C B:ARG619 4.4 48.3 1.0 CG B:ASN562 4.4 54.5 1.0 CG2 B:THR559 4.5 37.6 1.0 OG1 B:THR559 4.5 50.2 1.0 CB B:ILE618 4.6 42.2 1.0 ND2 B:ASN562 4.6 50.3 1.0 CD1 B:TYR561 4.7 48.3 1.0 C B:ASN562 4.7 52.4 1.0 CG B:TYR561 4.8 55.4 1.0 N B:ILE618 4.9 47.5 1.0 C B:ASN617 4.9 51.5 1.0 OG B:SER560 4.9 59.0 1.0 CG B:ARG619 5.0 55.0 1.0

K.Lee, S.Gu, L.Jin, T.T.Le, L.W.Cheng, J.Strotmeier, A.M.Kruel, G.Yao, K.Perry, A.Rummel, R.Jin. Structure of A Bimodular Botulinum Neurotoxin Complex Provides Insights Into Its Oral Toxicity. Plos Pathog. V. 9 03690 2013.
ISSN: ISSN 1553-7366
PubMed: 24130488
DOI: 10.1371/JOURNAL.PPAT.1003690