Chlorine in PDB 6apq: Anti-Marburgvirus Nucleoprotein Single Domain Antibody B

The structure of Anti-Marburgvirus Nucleoprotein Single Domain Antibody B, PDB code: 6apq was solved by A.B.Taylor, J.A.Garza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.27 / 1.90
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	79.988, 79.988, 89.894, 90.00, 90.00, 120.00
R / Rfree (%)	18.5 / 21.7

The structure of Anti-Marburgvirus Nucleoprotein Single Domain Antibody B also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Anti-Marburgvirus Nucleoprotein Single Domain Antibody B (pdb code 6apq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Anti-Marburgvirus Nucleoprotein Single Domain Antibody B, PDB code: 6apq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Anti-Marburgvirus Nucleoprotein Single Domain Antibody B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Anti-Marburgvirus Nucleoprotein Single Domain Antibody B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:30.5 occ:1.00 OH A:TYR97 3.1 25.3 1.0 N A:GLY27 3.2 33.1 1.0 O A:HOH361 3.2 38.1 1.0 ND2 A:ASN76 3.5 27.6 1.0 CA A:GLY27 3.5 27.4 1.0 C A:GLY27 3.6 32.6 1.0 N A:PHE29 3.8 25.5 1.0 CE2 A:TYR97 3.8 28.0 1.0 CB A:PHE29 3.8 29.8 1.0 O A:GLY27 3.8 30.8 1.0 N A:GLY26 3.8 29.2 1.0 CA A:SER25 3.8 31.5 1.0 C A:SER25 3.8 30.2 1.0 CZ A:TYR97 3.8 27.4 1.0 N A:SER25 3.9 30.0 1.0 CB A:ALA24 4.0 25.7 1.0 C A:ALA24 4.0 25.4 1.0 CA A:PHE29 4.0 25.1 1.0 N A:THR28 4.1 26.2 1.0 O A:ALA24 4.1 28.3 1.0 CD1 A:PHE29 4.2 27.5 1.0 C A:GLY26 4.3 39.7 1.0 O A:SER25 4.4 33.2 1.0 CG A:ASN76 4.5 32.2 1.0 CG A:PHE29 4.5 23.2 1.0 C A:THR28 4.6 26.1 1.0 CA A:GLY26 4.7 31.5 1.0 CA A:ALA24 4.7 24.8 1.0 CA A:THR28 4.8 23.2 1.0 O A:HOH397 4.8 29.4 1.0 CG1 A:VAL2 4.8 28.1 1.0 CG2 A:VAL2 4.9 27.0 1.0 CD2 A:TYR97 5.0 25.4 1.0

Chlorine binding site 2 out of 3 in the Anti-Marburgvirus Nucleoprotein Single Domain Antibody B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Anti-Marburgvirus Nucleoprotein Single Domain Antibody B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:27.4 occ:1.00 N A:TYR59 3.1 21.5 1.0 NZ A:LYS64 3.3 40.6 1.0 CE A:LYS64 3.4 44.7 1.0 CA A:ARG58 3.7 23.4 1.0 CD A:LYS64 3.8 41.3 1.0 O A:TYR59 3.8 27.5 1.0 CD2 A:TYR59 3.8 22.2 1.0 C A:ARG58 3.9 30.7 1.0 CA A:TYR59 4.0 23.6 1.0 CB A:TYR59 4.0 23.2 1.0 CG A:ARG58 4.1 30.5 1.0 O A:HOH304 4.2 42.3 1.0 C A:TYR59 4.4 24.9 1.0 CG A:TYR59 4.4 21.0 1.0 CB A:ARG58 4.4 25.1 1.0 O A:THR57 4.6 21.4 1.0 N A:ARG58 4.7 20.3 1.0 CE2 A:TYR59 4.9 19.0 1.0 CG A:LYS64 4.9 34.0 1.0

Chlorine binding site 3 out of 3 in the Anti-Marburgvirus Nucleoprotein Single Domain Antibody B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Anti-Marburgvirus Nucleoprotein Single Domain Antibody B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:22.3 occ:1.00 OH A:TYR37 3.0 24.6 1.0 O A:HOH362 3.1 27.8 1.0 NE A:ARG50 3.2 22.9 1.0 NH2 A:ARG98 3.6 18.9 1.0 CD A:ARG50 3.7 18.9 1.0 SD A:MET96 3.7 28.0 1.0 CE A:MET96 3.8 24.2 1.0 CE1 A:TYR37 3.8 23.6 1.0 CZ A:TYR37 3.9 23.0 1.0 CD1 A:PHE47 4.0 21.8 1.0 CE1 A:PHE47 4.1 20.5 1.0 CZ A:ARG50 4.3 24.2 1.0 NH1 A:ARG50 4.5 20.1 1.0 CZ A:ARG98 4.6 22.9 1.0 NE A:ARG98 4.6 24.2 1.0 CG A:ARG50 4.7 17.4 1.0 CB A:ARG50 4.8 19.0 1.0

J.A.Garza, A.B.Taylor, L.J.Sherwood, P.J.Hart, A.Hayhurst. Unveiling A Drift Resistant Cryptotope Withinmarburgvirusnucleoprotein Recognized By Llama Single-Domain Antibodies. Front Immunol V. 8 1234 2017.
ISSN: ESSN 1664-3224
PubMed: 29038656
DOI: 10.3389/FIMMU.2017.01234