Chlorine in PDB 8vvm: Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor

The structure of Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor, PDB code: 8vvm was solved by A.U.Singer, H.A.Bruce, A.Pavlenco, L.Ploder, G.Luu, L.Blazer, J.J.Adams, S.S.Sidhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	84.38 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.165, 91.612, 216.735, 90, 90, 90
R / Rfree (%)	21.9 / 27.3

The structure of Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor also contains other interesting chemical elements:

Sodium

(Na)

4 atoms

The binding sites of Chlorine atom in the Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor (pdb code 8vvm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor, PDB code: 8vvm:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:76.7 occ:1.00 ND1 A:HIS178 3.2 59.3 1.0 CE1 A:HIS178 3.9 59.5 1.0 O A:VAL177 4.2 61.2 1.0 CG A:HIS178 4.3 58.8 1.0 CB G:THR184 4.4 64.0 1.0 OD2 G:ASP187 4.5 74.9 1.0 OG1 G:THR184 4.5 63.2 1.0 CA A:HIS178 4.5 59.8 1.0 CB A:HIS178 4.7 58.6 1.0 O G:GLU185 4.7 68.0 1.0 CG2 G:THR184 4.8 62.3 1.0

Chlorine binding site 2 out of 7 in the Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl302 b:80.8 occ:1.00 OG G:SER222 4.0 77.7 1.0 O G:THR220 4.0 73.6 1.0 N G:SER222 4.2 70.7 1.0 CB G:SER222 4.4 74.3 1.0 C G:THR220 4.6 73.6 1.0 C G:THR221 4.7 75.0 1.0 CA G:THR221 4.8 74.6 1.0 N G:THR221 4.9 76.6 1.0 CA G:SER222 5.0 70.6 1.0

Chlorine binding site 3 out of 7 in the Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:94.2 occ:1.00 O B:ALA114 3.7 86.1 1.0 OD1 B:ASP116 4.2 87.4 1.0 C B:ALA114 4.7 85.6 1.0 CB B:ALA114 4.7 83.5 1.0 N B:GLY108 4.7 93.1 1.0 CA B:GLY108 4.7 92.3 1.0 CG B:ASP116 4.9 86.6 1.0

Chlorine binding site 4 out of 7 in the Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl304 b:70.5 occ:1.00 N C:TRP168 2.6 59.0 1.0 O C:GLN175 3.1 57.8 1.0 CA C:SER167 3.3 59.9 1.0 C C:SER167 3.4 57.1 1.0 CB C:TRP168 3.5 55.8 1.0 CA C:TRP168 3.6 57.3 1.0 O C:VAL166 3.8 60.9 1.0 O C:TRP168 3.9 61.5 1.0 CD2 C:LEU174 4.0 56.7 1.0 CD1 C:TRP168 4.1 52.0 1.0 CB C:SER167 4.1 62.1 1.0 C C:GLN175 4.2 58.3 1.0 C C:TRP168 4.2 59.5 1.0 CG C:TRP168 4.2 52.6 1.0 N C:SER167 4.3 58.3 1.0 N C:GLN175 4.4 58.5 1.0 C C:VAL166 4.5 58.5 1.0 O C:SER167 4.6 54.5 1.0 CA C:GLN175 4.7 58.9 1.0 OG C:SER179 4.8 56.7 1.0 CB C:GLN175 4.8 58.6 1.0 OG C:SER167 5.0 64.4 1.0 CD1 C:LEU174 5.0 57.9 1.0

Chlorine binding site 5 out of 7 in the Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl305 b:95.5 occ:1.00 OG C:SER92 4.0 84.4 1.0 CG2 C:THR90 4.2 79.2 1.0 OG C:SER77 4.3 79.4 1.0 NE C:ARG18 4.5 82.5 0.6 CD C:ARG18 4.6 79.5 0.6 CB C:THR90 4.9 81.6 1.0

Chlorine binding site 6 out of 7 in the Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl306 b:77.1 occ:1.00 O C:THR220 3.4 66.1 1.0 C C:THR220 3.8 66.3 1.0 N C:SER222 4.2 65.2 1.0 N C:THR221 4.2 66.0 1.0 OG C:SER222 4.3 61.1 1.0 CA C:THR221 4.4 65.7 1.0 CA C:THR220 4.5 66.3 1.0 C C:THR221 4.5 64.2 1.0 CG2 C:THR217 4.5 64.5 1.0 CB C:SER222 4.6 62.2 1.0 O1 C:PEG302 4.8 73.8 1.0 O C:GLY219 4.9 65.9 1.0 CA C:SER222 5.0 63.6 1.0

Chlorine binding site 7 out of 7 in the Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of FABS1CE1-EPR1-1 in Complex with the Erythropoietin Receptor within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl307 b:77.9 occ:1.00 N C:GLY47 3.4 69.5 1.0 O C:LYS45 3.9 65.3 1.0 NE2 C:GLN44 4.0 70.6 1.0 OE1 B:GLN44 4.1 76.7 1.0 O C:LYS48 4.1 65.9 1.0 CA C:PRO46 4.2 69.0 1.0 CD C:GLN44 4.2 68.2 1.0 C C:PRO46 4.2 72.8 1.0 CA C:GLY47 4.3 73.0 1.0 N C:LYS48 4.4 72.5 1.0 OE1 C:GLN44 4.5 67.9 1.0 CG C:GLN44 4.6 66.5 1.0 NE2 B:GLN44 4.6 75.1 1.0 CD B:GLN44 4.7 75.4 1.0 C C:GLY47 4.7 73.7 1.0 C C:LYS45 4.8 65.1 1.0 N C:PRO46 4.9 67.8 1.0

H.A.Bruce, A.U.Singer, L.L.Blazer, K.Luu, L.Ploder, A.Pavlenco, I.Kurinov, J.J.Adams, S.S.Sidhu. Antigen-Binding Fragments with Improved Crystal Lattice Packing and Enhanced Conformational Flexibility at the Elbow Region As Crystallization Chaperones. Protein Sci. V. 33 E5081 2024.
ISSN: ESSN 1469-896X
PubMed: 38924648
DOI: 10.1002/PRO.5081