Chlorine in PDB 3zkq: BACE2 Xaperone Complex

All present enzymatic activity of BACE2 Xaperone Complex:
3.4.23.45;

The structure of BACE2 Xaperone Complex, PDB code: 3zkq was solved by D.W.Banner, A.Kuglstatter, J.Benz, M.Stihle, A.Ruf, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.47 / 1.51
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.112, 74.811, 109.248, 90.00, 90.00, 90.00
R / Rfree (%)	18.966 / 22.276

The binding sites of Chlorine atom in the BACE2 Xaperone Complex (pdb code 3zkq). 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 BACE2 Xaperone Complex, PDB code: 3zkq:

Chlorine binding site 1 out of 1 in the BACE2 Xaperone Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of BACE2 Xaperone Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1400 b:23.9 occ:1.00 ND2 A:ASN114 3.1 19.1 1.0 O A:HOH2152 3.1 29.6 1.0 O A:HOH2159 3.1 36.8 1.0 N D:ILE192 3.3 19.1 1.0 N A:GLU150 3.4 21.3 1.0 O A:SER148 3.6 22.8 0.5 O A:SER148 3.7 23.0 0.5 CA D:ALA191 3.7 21.6 1.0 NZ A:LYS79 3.7 23.3 1.0 CB A:GLU150 3.8 20.4 1.0 OD1 A:ASN114 3.9 20.6 1.0 O D:SER190 3.9 23.4 1.0 CG A:ASN114 3.9 18.5 1.0 C D:ALA191 4.0 20.2 1.0 CB D:ILE192 4.1 17.6 1.0 CA A:LEU149 4.2 20.0 1.0 CG1 D:ILE192 4.2 20.2 1.0 CA A:GLU150 4.2 20.9 1.0 CA D:ILE192 4.3 19.2 1.0 C A:LEU149 4.3 20.4 1.0 O A:HOH2153 4.3 36.4 1.0 CB D:ALA191 4.4 21.1 1.0 CD1 A:LEU149 4.5 20.8 1.0 O D:ILE192 4.5 23.0 1.0 CD1 D:ILE192 4.5 21.0 1.0 C A:SER148 4.7 22.9 0.5 C A:SER148 4.7 23.0 0.5 C D:SER190 4.7 22.4 1.0 N D:ALA191 4.7 21.6 1.0 OG D:SER257 4.7 33.9 1.0 CE A:LYS79 4.8 27.3 1.0 C D:ILE192 5.0 18.8 1.0 N A:LEU149 5.0 21.8 1.0

D.W.Banner, B.Gsell, J.Benz, J.Bertschinger, D.Burger, S.Brack, S.Cuppuleri, M.Debulpaep, A.Gast, D.Grabulovski, M.Hennig, H.Hilpert, W.Huber, A.Kuglstatter, E.Kusznir, T.Laeremans, H.Matile, C.Miscenic, A.Rufer, D.Schlatter, J.Steyeart, M.Stihle, R.Thoma, M.Weber, A.Ruf. Mapping the Conformational Space Accessible to BACE2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones Acta Crystallogr.,Sect.D V. 69 1124 2013.
ISSN: ISSN 0907-4449
PubMed: 23695257
DOI: 10.1107/S0907444913006574