Chlorine in PDB 4lo4: Apo Ha-70

The structure of Apo Ha-70, PDB code: 4lo4 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)	44.89 / 2.87
Space group	I 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	261.750, 261.750, 261.750, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 20.6

The binding sites of Chlorine atom in the Apo Ha-70 (pdb code 4lo4). 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 Apo Ha-70, PDB code: 4lo4:

Chlorine binding site 1 out of 1 in the Apo Ha-70


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Apo Ha-70 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl701 b:69.9 occ:1.00 N B:TYR561 3.0 64.0 1.0 N B:ARG619 3.1 69.7 1.0 N B:ASN562 3.2 63.8 1.0 N B:SER560 3.3 64.8 1.0 CA B:TYR561 3.8 70.1 1.0 CB B:THR559 3.8 57.4 1.0 CA B:ILE618 3.9 54.2 1.0 O B:ARG619 3.9 73.9 1.0 CB B:ASN562 4.0 52.6 1.0 C B:TYR561 4.0 70.0 1.0 C B:SER560 4.0 63.7 1.0 CA B:ARG619 4.0 63.1 1.0 C B:ILE618 4.0 65.7 1.0 CA B:SER560 4.0 65.9 1.0 CB B:ARG619 4.0 47.0 1.0 CA B:ASN562 4.1 58.9 1.0 CG1 B:ILE618 4.1 56.0 1.0 CB B:TYR561 4.1 55.8 1.0 O B:ASN617 4.1 65.7 1.0 CB B:SER560 4.2 61.5 1.0 C B:THR559 4.3 61.5 1.0 C B:ARG619 4.3 61.7 1.0 CG B:ASN562 4.4 72.4 1.0 O B:ASN562 4.4 67.8 1.0 CA B:THR559 4.4 57.8 1.0 ND2 B:ASN562 4.5 72.6 1.0 CG2 B:THR559 4.5 45.2 1.0 CD1 B:TYR561 4.6 57.8 1.0 CB B:ILE618 4.6 52.1 1.0 OG1 B:THR559 4.7 57.9 1.0 CG B:TYR561 4.8 59.4 1.0 C B:ASN562 4.8 59.1 1.0 N B:ILE618 4.9 59.4 1.0 CG B:ARG619 4.9 57.2 1.0 C B:ASN617 4.9 63.3 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