Chlorine in PDB 6pil: Antibody Scfv-M204 Monomeric State

The structure of Antibody Scfv-M204 Monomeric State, PDB code: 6pil was solved by R.Abskharon, M.R.Sawaya, P.M.Seidler, D.Cascio, D.S.Eisenberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.50 / 2.20
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	60.420, 60.420, 159.420, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 23.4

The binding sites of Chlorine atom in the Antibody Scfv-M204 Monomeric State (pdb code 6pil). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Antibody Scfv-M204 Monomeric State, PDB code: 6pil:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Antibody Scfv-M204 Monomeric State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Antibody Scfv-M204 Monomeric State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:36.2 occ:1.00 O A:HOH459 2.9 44.4 1.0 N A:TRP48 3.3 32.3 1.0 N A:PHE222 3.3 33.7 1.0 CA A:SER221 3.7 35.7 1.0 CA A:GLN47 3.7 30.1 1.0 O A:HOH454 3.8 53.9 1.0 CG A:GLN47 4.0 44.1 1.0 C A:GLN47 4.0 35.1 1.0 C A:SER221 4.0 39.0 1.0 O A:HOH490 4.0 57.9 1.0 CD2 A:PHE222 4.0 31.7 1.0 CB A:TRP48 4.1 29.7 1.0 CA A:TRP48 4.2 31.4 1.0 OG A:SER221 4.2 51.7 1.0 O A:LEU46 4.3 35.3 1.0 CB A:GLN47 4.4 31.5 1.0 CB A:PHE222 4.4 31.7 1.0 CA A:PHE222 4.4 31.9 1.0 CB A:SER221 4.4 40.5 1.0 O A:TRP48 4.5 34.0 1.0 O A:PHE222 4.6 36.2 1.0 NE1 A:TRP63 4.6 42.8 1.0 N A:GLN47 4.7 30.5 1.0 CG A:PHE222 4.7 32.2 1.0 N A:SER221 4.7 36.2 1.0 O A:VAL220 4.7 41.0 1.0 C A:TRP48 4.9 34.1 1.0 C A:LEU46 4.9 33.2 1.0 CE2 A:PHE222 5.0 34.2 1.0

Chlorine binding site 2 out of 3 in the Antibody Scfv-M204 Monomeric State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Antibody Scfv-M204 Monomeric State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:54.4 occ:1.00 OG1 A:THR213 3.0 40.1 1.0 O A:HOH453 3.1 62.3 1.0 N A:GLU172 3.2 38.8 1.0 CB A:THR213 3.8 38.8 1.0 CA A:GLU172 3.8 40.3 1.0 CB A:GLU101 3.9 46.8 1.0 CG2 A:THR213 4.0 36.1 1.0 CB A:TYR171 4.0 35.6 1.0 C A:TYR171 4.2 39.7 1.0 N A:LEU155 4.2 35.7 1.0 O A:LEU155 4.2 37.2 1.0 CA A:TYR171 4.3 34.3 1.0 O A:HOH455 4.4 65.0 1.0 CG A:GLU172 4.4 62.9 1.0 CA A:TYR154 4.4 43.1 1.0 C A:LEU155 4.5 37.8 1.0 C A:TYR154 4.6 41.7 1.0 CG A:GLU101 4.6 60.3 1.0 CB A:GLU172 4.7 42.3 1.0 O A:SER153 4.7 49.2 1.0 CB A:ALA156 4.9 33.1 1.0 CD2 A:TYR171 4.9 39.9 1.0 N A:ALA156 4.9 33.2 1.0 CA A:LEU155 5.0 34.5 1.0

Chlorine binding site 3 out of 3 in the Antibody Scfv-M204 Monomeric State


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Antibody Scfv-M204 Monomeric State within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:61.9 occ:1.00 NH2 A:ARG11 3.2 32.3 1.0 OG1 A:THR14 3.4 52.2 1.0 N A:THR14 3.5 47.4 1.0 OG1 A:THR17 3.5 62.0 1.0 O A:HOH503 3.5 57.0 1.0 CG2 A:THR14 3.9 56.5 1.0 CB A:THR14 4.1 56.0 1.0 CG2 A:VAL13 4.1 40.8 1.0 CA A:VAL13 4.1 39.2 1.0 C A:VAL13 4.3 46.5 1.0 CB A:THR17 4.4 49.6 1.0 CA A:THR14 4.4 48.6 1.0 CZ A:ARG11 4.5 53.4 1.0 CG2 A:THR17 4.7 42.5 1.0 CB A:VAL13 4.7 41.4 1.0 O A:LEU12 4.7 42.8 1.0

R.Abskharon, P.M.Seidler, M.R.Sawaya, D.Cascio, T.P.Yang, S.Philipp, C.K.Williams, K.L.Newell, B.Ghetti, M.A.Deture, D.W.Dickson, H.V.Vinters, P.L.Felgner, R.Nakajima, C.G.Glabe, D.S.Eisenberg. Crystal Structure of A Conformational Antibody That Binds Tau Oligomers and Inhibits Pathological Seeding By Extracts From Donors with Alzheimer'S Disease. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 32493775
DOI: 10.1074/JBC.RA120.013638