Chlorine in PDB 8rmo: Crystal Structure of Anti-Flag M2 Fab Fragment Bound to Flag-Tag Peptide Epitope

The structure of Crystal Structure of Anti-Flag M2 Fab Fragment Bound to Flag-Tag Peptide Epitope, PDB code: 8rmo was solved by J.W.Beugelink, B.J.C.Janssen, M.F.Pronker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.33 / 1.16
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	87.432, 134.621, 41.798, 90, 90, 90
R / Rfree (%)	15.8 / 18.6

The binding sites of Chlorine atom in the Crystal Structure of Anti-Flag M2 Fab Fragment Bound to Flag-Tag Peptide Epitope (pdb code 8rmo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Anti-Flag M2 Fab Fragment Bound to Flag-Tag Peptide Epitope, PDB code: 8rmo:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Anti-Flag M2 Fab Fragment Bound to Flag-Tag Peptide Epitope


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Anti-Flag M2 Fab Fragment Bound to Flag-Tag Peptide Epitope within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:14.4 occ:0.56 H H:LYS100 1.9 10.4 1.0 H H:TYR102 2.1 13.7 1.0 O H:GLY103 2.7 10.9 1.0 N H:LYS100 2.8 10.4 1.0 HA H:GLU99 2.8 10.3 0.5 HB2 H:TYR102 2.8 16.9 1.0 O H:HOH433 2.8 15.2 1.0 HA H:GLU99 2.9 10.0 0.5 N H:TYR102 2.9 13.7 1.0 OE2 H:GLU99 3.0 12.4 0.5 C H:TYR102 3.3 12.4 1.0 HG2 H:GLU99 3.3 12.4 0.5 H H:GLY103 3.4 11.3 1.0 N H:GLY103 3.4 11.3 1.0 CA H:TYR102 3.4 14.4 1.0 C H:LYS100 3.4 11.7 1.0 CB H:TYR102 3.5 16.9 1.0 HD1 H:TYR102 3.6 21.5 1.0 CA H:GLU99 3.6 10.3 0.5 N H:PHE101 3.7 11.9 1.0 O H:LYS100 3.7 13.1 1.0 C H:GLU99 3.7 10.7 0.5 CA H:GLU99 3.7 10.0 0.5 HE2 H:TYR32 3.7 13.8 1.0 C H:GLU99 3.7 10.5 0.5 CA H:LYS100 3.7 10.7 1.0 C H:GLY103 3.7 10.2 1.0 H H:PHE101 3.8 11.9 1.0 CD H:GLU99 3.9 11.3 0.5 O H:TYR102 3.9 13.6 1.0 HG2 H:GLU99 4.0 11.2 0.5 C H:PHE101 4.1 16.6 1.0 CA H:GLY103 4.1 10.2 1.0 HD2 H:TYR32 4.1 12.7 1.0 CG H:GLU99 4.1 12.4 0.5 HB3 H:TYR102 4.2 16.9 1.0 H H:ASP105 4.3 10.0 1.0 HB3 H:LYS100 4.3 11.1 1.0 CG H:GLU99 4.3 11.2 0.5 O H:HOH522 4.3 23.4 1.0 CD1 H:TYR102 4.4 21.5 1.0 HA H:TYR102 4.4 14.4 1.0 CA H:PHE101 4.4 14.3 1.0 CE2 H:TYR32 4.4 13.8 1.0 CG H:TYR102 4.5 21.3 1.0 HA H:LYS100 4.5 10.7 1.0 CB H:GLU99 4.5 10.9 0.5 OD1 H:ASP105 4.5 11.8 1.0 CD H:GLU99 4.5 15.6 0.5 CG H:ASP105 4.6 12.5 1.0 CB H:LYS100 4.6 11.1 1.0 CB H:GLU99 4.6 9.8 0.5 HB3 H:ASP105 4.7 12.2 1.0 CD2 H:TYR32 4.7 12.7 1.0 N H:GLU99 4.7 10.3 0.5 OD2 H:ASP105 4.7 14.0 1.0 N H:GLU99 4.7 10.5 0.5 HA2 H:GLY103 4.7 10.2 1.0 OE1 H:GLU99 4.7 9.6 0.5 O H:HOH467 4.7 24.4 1.0 HA3 H:GLY103 4.8 10.2 1.0 O H:GLU99 4.8 11.4 0.5 O H:GLU99 4.8 11.3 0.5 HB2 H:GLU99 4.9 10.9 0.5 HB2 H:LYS100 4.9 11.1 1.0 O H:ARG98 4.9 10.8 1.0 HG3 H:GLU99 4.9 12.4 0.5 OE1 H:GLU99 4.9 24.1 0.5 OE2 H:GLU99 4.9 17.1 0.5 HA H:TYR104 4.9 9.1 1.0 N H:TYR104 5.0 9.7 1.0 O H:HOH404 5.0 23.8 0.5

Chlorine binding site 2 out of 3 in the Crystal Structure of Anti-Flag M2 Fab Fragment Bound to Flag-Tag Peptide Epitope


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Anti-Flag M2 Fab Fragment Bound to Flag-Tag Peptide Epitope within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl302 b:12.9 occ:0.89 HD21 H:ASN52 2.4 13.0 1.0 HB3 H:TYR57 3.0 10.0 1.0 O F:HOH111 3.0 42.3 1.0 HB3 F:TYR2 3.1 14.2 1.0 O H:HOH460 3.1 13.1 1.0 OG H:SER55 3.1 12.3 1.0 ND2 H:ASN52 3.3 13.0 1.0 HG H:SER55 3.3 12.3 0.0 HB3 H:ASN52 3.4 10.6 1.0 HD2 H:TYR57 3.5 11.4 1.0 HB2 H:ASN52 3.7 10.6 1.0 HB3 H:SER55 3.7 12.6 1.0 HD22 H:ASN52 3.8 13.0 1.0 CB H:TYR57 3.8 10.0 1.0 CB H:ASN52 3.9 10.6 1.0 CB H:SER55 3.9 12.6 1.0 HB2 H:TYR57 3.9 10.0 1.0 CB F:TYR2 4.0 14.2 1.0 CG H:ASN52 4.0 11.4 1.0 H F:TYR2 4.1 14.6 1.0 HB2 H:SER55 4.1 12.6 1.0 CD2 H:TYR57 4.1 11.4 1.0 HE1 H:TYR50 4.3 9.7 1.0 HA F:TYR2 4.3 14.5 1.0 HB2 F:TYR2 4.3 14.2 1.0 CG H:TYR57 4.3 10.7 1.0 N F:TYR2 4.4 14.6 1.0 HH H:TYR50 4.4 12.1 0.0 HD1 F:TYR2 4.4 16.5 1.0 CA F:TYR2 4.5 14.5 1.0 H H:TYR57 4.5 9.2 1.0 O H:HOH672 4.7 48.8 1.0 HA F:ASP1 4.8 22.7 1.0 O F:HOH110 4.8 40.2 1.0 CG F:TYR2 5.0 13.6 1.0 CA H:TYR57 5.0 9.3 1.0 O F:HOH101 5.0 43.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Anti-Flag M2 Fab Fragment Bound to Flag-Tag Peptide Epitope


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Anti-Flag M2 Fab Fragment Bound to Flag-Tag Peptide Epitope within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl303 b:25.9 occ:0.85 H H:SER88 2.2 15.1 0.5 H H:SER88 2.3 14.3 0.5 HA H:THR87 2.9 15.2 1.0 O H:HOH650 2.9 19.7 1.0 N H:SER88 3.0 15.1 0.5 HB H:THR87 3.1 14.3 1.0 N H:SER88 3.1 14.3 0.5 HB2 H:SER88 3.2 16.9 0.5 HB3 H:PRO14 3.4 17.3 1.0 CA H:THR87 3.5 15.2 1.0 HB3 H:SER88 3.7 14.9 0.5 CB H:THR87 3.7 14.3 1.0 C H:THR87 3.7 14.8 1.0 CB H:SER88 3.8 16.9 0.5 HB3 H:SER88 3.8 16.9 0.5 OG H:SER88 3.9 16.1 0.5 HG3 H:PRO14 3.9 16.5 1.0 HG23 H:THR87 3.9 15.4 1.0 CA H:SER88 4.0 15.5 0.5 CB H:SER88 4.1 14.9 0.5 O H:HOH555 4.1 33.8 1.0 CA H:SER88 4.1 14.1 0.5 CB H:PRO14 4.3 17.3 1.0 HA H:SER88 4.4 15.5 0.5 CG2 H:THR87 4.4 15.4 1.0 CG H:PRO14 4.5 16.5 1.0 HA H:SER88 4.6 14.1 0.5 HG12 H:VAL115 4.6 11.3 1.0 HG H:SER88 4.7 16.1 0.0 HG2 H:PRO14 4.7 16.5 1.0 H H:GLU89 4.8 14.9 0.4 HG13 H:VAL115 4.8 11.3 1.0 O H:LEU86 4.8 18.0 1.0 OG1 H:THR87 4.8 17.2 1.0 HG21 H:THR87 4.8 15.4 1.0 N H:THR87 4.8 16.5 1.0 HA H:PRO14 4.8 16.0 1.0 O H:HOH475 4.9 25.6 1.0 H H:GLU89 4.9 14.4 0.6 HB2 H:PRO14 4.9 17.3 1.0 O H:THR87 4.9 14.7 1.0

J.W.Beugelink, E.Sweep, B.J.C.Janssen, J.Snijder, M.F.Pronker. Structural Basis For Recognition of the Flag-1 Tag By Anti-Flag M2 Biorxiv 2024.
ISSN: ISSN 2692-8205
DOI: 10.1101/2024.03.25.586599