Chlorine in PDB 6lyn: CD146 D4-D5/AA98 Fab

The structure of CD146 D4-D5/AA98 Fab, PDB code: 6lyn was solved by X.Chen, X.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.71 / 2.78
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	84.203, 88.387, 94.644, 90, 89.93, 90
R / Rfree (%)	21.7 / 26.2

The binding sites of Chlorine atom in the CD146 D4-D5/AA98 Fab (pdb code 6lyn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the CD146 D4-D5/AA98 Fab, PDB code: 6lyn:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the CD146 D4-D5/AA98 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of CD146 D4-D5/AA98 Fab within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:66.2 occ:1.00 N A:ARG40 3.4 56.9 1.0 O A:GLN43 3.6 57.0 1.0 CB A:ARG40 3.9 54.0 1.0 O A:LYS38 4.0 44.5 1.0 C A:GLY44 4.0 50.6 1.0 CA A:GLN39 4.1 45.0 1.0 O A:GLY44 4.2 50.3 1.0 CA A:ARG40 4.2 53.8 1.0 C A:GLN39 4.2 51.1 1.0 OE1 A:GLU46 4.2 76.5 1.0 CA A:GLY44 4.2 52.7 1.0 N A:LEU45 4.4 49.6 1.0 O A:ARG40 4.5 59.2 1.0 CG A:GLU46 4.6 61.7 1.0 C A:GLN43 4.6 50.5 1.0 C A:LYS38 4.6 46.1 1.0 N A:GLN39 4.7 43.5 1.0 C A:ARG40 4.8 56.4 1.0 CD A:GLU46 4.9 72.2 1.0 N A:GLY44 4.9 54.5 1.0 N A:GLU46 5.0 42.7 1.0 CA A:LEU45 5.0 44.8 1.0

Chlorine binding site 2 out of 4 in the CD146 D4-D5/AA98 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of CD146 D4-D5/AA98 Fab within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:67.8 occ:1.00 N A:ILE28 3.4 52.6 1.0 CG1 A:ILE28 3.8 50.1 1.0 CB A:ILE28 3.9 52.0 1.0 CE1 A:TYR32 3.9 56.0 1.0 CB A:TYR27 4.1 54.7 1.0 CA A:TYR27 4.1 51.7 1.0 CA A:ILE28 4.3 50.1 1.0 CD1 A:ILE28 4.3 49.4 1.0 C A:TYR27 4.3 51.5 1.0 OH A:TYR32 4.4 62.2 1.0 CZ A:TYR32 4.7 52.9 1.0 CD1 A:TYR32 4.9 54.6 1.0 O A:ILE28 4.9 46.7 1.0

Chlorine binding site 3 out of 4 in the CD146 D4-D5/AA98 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of CD146 D4-D5/AA98 Fab within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl603 b:77.7 occ:1.00 OG D:SER360 3.5 65.3 1.0 N D:SER360 3.8 60.6 1.0 CB D:SER359 4.2 58.5 1.0 CA D:SER359 4.3 63.0 1.0 CB D:SER360 4.4 61.3 1.0 C D:SER359 4.5 64.3 1.0 CA D:SER360 4.6 60.0 1.0 O D:SER360 4.7 56.9 1.0

Chlorine binding site 4 out of 4 in the CD146 D4-D5/AA98 Fab


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of CD146 D4-D5/AA98 Fab within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl604 b:67.0 occ:1.00 O D:ILE427 3.3 42.9 1.0 N D:ILE427 3.5 49.3 1.0 CG D:GLN478 3.9 48.8 1.0 CB D:ILE427 4.0 54.5 1.0 CA D:ILE427 4.1 49.0 1.0 C D:ILE427 4.1 47.5 1.0 CB D:HIS457 4.3 47.2 1.0 N D:HIS457 4.4 46.8 1.0 CB D:GLN478 4.4 51.8 1.0 C D:GLY456 4.5 49.3 1.0 C D:ALA426 4.5 47.5 1.0 CA D:GLY456 4.5 49.2 1.0 CA D:ALA426 4.6 47.6 1.0 CG1 D:ILE427 4.6 57.7 1.0 O D:ARG399 4.7 72.1 1.0 CD D:GLN478 4.8 47.7 1.0 CA D:GLY402 4.9 54.9 1.0 N D:GLY456 4.9 48.2 1.0 CA D:HIS457 5.0 47.8 1.0

X.Chen, H.Yan, D.Liu, Q.Xu, H.Duan, J.Feng, X.Yan, C.Xie. Structure Basis For AA98 Inhibition on the Activation of Endothelial Cells Mediated By CD146 To Be Published.