Chlorine in PDB 5jmr: X-Ray Structure of the Furin Inhibitory Antibody NB14

The structure of X-Ray Structure of the Furin Inhibitory Antibody NB14, PDB code: 5jmr was solved by S.O.Dahms, M.E.Than, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.36 / 2.27
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	91.411, 91.411, 211.290, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 21.6

The binding sites of Chlorine atom in the X-Ray Structure of the Furin Inhibitory Antibody NB14 (pdb code 5jmr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of the Furin Inhibitory Antibody NB14, PDB code: 5jmr:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of the Furin Inhibitory Antibody NB14


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of the Furin Inhibitory Antibody NB14 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:28.9 occ:1.00 O A:HOH358 2.6 36.1 1.0 N A:GLY42 3.2 29.1 1.0 NE2 A:GLN39 3.3 29.3 1.0 N B:ARG72 3.4 23.0 1.0 CB B:SER71 3.5 26.1 1.0 CA B:SER71 3.6 23.4 1.0 CA A:PRO41 3.8 30.4 1.0 O B:ARG72 3.9 22.8 1.0 CD1 B:ILE51 3.9 23.1 1.0 C A:PRO41 4.0 29.8 1.0 N A:GLY44 4.0 27.4 1.0 O A:ALA40 4.0 27.3 1.0 O B:GLY55 4.0 37.8 1.0 C B:SER71 4.1 26.1 1.0 CA A:GLY42 4.1 31.2 1.0 CA A:GLY44 4.3 32.7 1.0 N A:LYS43 4.3 37.0 1.0 CD A:GLN39 4.5 31.3 1.0 CG B:ARG72 4.5 22.0 1.0 CA B:ARG72 4.5 23.3 1.0 C A:GLY42 4.5 35.5 1.0 N A:PRO41 4.5 30.4 1.0 C A:ALA40 4.6 26.1 1.0 C B:ARG72 4.7 23.1 1.0 CA B:GLY55 4.7 22.9 1.0 O B:ILE70 4.8 25.3 1.0 C B:GLY55 4.8 31.4 1.0 OG B:SER71 4.9 26.4 1.0 N B:SER71 4.9 23.2 1.0 CB A:PRO41 5.0 29.3 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of the Furin Inhibitory Antibody NB14


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of the Furin Inhibitory Antibody NB14 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:28.1 occ:1.00 N B:GLY42 3.0 23.4 1.0 N B:GLY44 3.7 31.9 1.0 CA B:PRO41 3.8 24.7 1.0 C B:PRO41 3.8 26.7 1.0 CA B:GLY42 3.9 23.5 1.0 O B:ALA40 3.9 27.6 1.0 CA B:GLY44 4.0 31.0 1.0 NE2 B:GLN39 4.2 32.8 1.0 N B:LYS43 4.2 31.6 1.0 C B:GLY42 4.2 30.4 1.0 C B:ALA40 4.6 29.2 1.0 N B:PRO41 4.6 29.2 1.0 C B:LYS43 4.8 30.9 1.0 O B:PRO41 5.0 27.6 1.0

S.O.Dahms, J.W.Creemers, Y.Schaub, G.P.Bourenkov, T.Zogg, H.Brandstetter, M.E.Than. The Structure of A Furin-Antibody Complex Explains Non-Competitive Inhibition By Steric Exclusion of Substrate Conformers. Sci Rep V. 6 34303 2016.
ISSN: ESSN 2045-2322
PubMed: 27670069
DOI: 10.1038/SREP34303