Chlorine in PDB 6rlm: Crystal Structure of AT1412DM Fab Fragment

The structure of Crystal Structure of AT1412DM Fab Fragment, PDB code: 6rlm was solved by V.Neviani, N.M.Pearce, W.Pos, R.Schotte, H.Spits, P.Gros, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	163.66 / 2.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	224.909, 238.594, 209.812, 90, 90, 90
R / Rfree (%)	24.2 / 26.7

The binding sites of Chlorine atom in the Crystal Structure of AT1412DM Fab Fragment (pdb code 6rlm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of AT1412DM Fab Fragment, PDB code: 6rlm:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of AT1412DM Fab Fragment


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 AT1412DM Fab Fragment within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:67.5 occ:1.00 N C:TRP52 3.2 46.1 1.0 CA D:THR113 3.6 55.4 1.0 CB C:TRP52 3.8 45.5 1.0 CA C:GLU51 3.8 47.6 1.0 N D:PHE114 3.8 57.2 1.0 CD1 D:PHE114 3.9 57.2 1.0 CG2 D:THR113 4.0 63.5 1.0 CB D:THR113 4.0 61.2 1.0 C C:GLU51 4.0 47.6 1.0 CA C:TRP52 4.1 47.6 1.0 C D:THR113 4.3 53.5 1.0 CG C:GLU51 4.3 49.9 1.0 O C:TRP52 4.4 55.1 1.0 O C:LEU50 4.4 50.8 1.0 CB C:GLU51 4.6 47.0 1.0 CE1 D:PHE114 4.7 54.7 1.0 N D:THR113 4.7 55.0 1.0 CB D:PHE114 4.7 54.8 1.0 C C:TRP52 4.8 48.2 1.0 N C:GLU51 4.8 45.6 1.0 CG D:PHE114 4.8 55.2 1.0 CA D:PHE114 4.9 58.9 1.0 C C:LEU50 5.0 49.4 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of AT1412DM Fab Fragment


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 AT1412DM Fab Fragment within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl301 b:76.0 occ:1.00 N G:TRP52 3.4 62.7 1.0 N H:PHE114 3.6 54.3 1.0 CA H:THR113 3.6 55.1 1.0 CD2 H:PHE114 3.8 55.5 1.0 CA G:GLU51 3.8 59.5 1.0 CB H:THR113 3.9 53.5 1.0 CG2 H:THR113 4.0 56.5 1.0 CB G:TRP52 4.0 56.4 1.0 C G:GLU51 4.1 63.3 1.0 C H:THR113 4.2 51.2 1.0 O G:LEU50 4.3 55.2 1.0 CA G:TRP52 4.3 54.7 1.0 CG G:GLU51 4.4 57.3 1.0 CB H:PHE114 4.4 58.0 1.0 CG H:PHE114 4.6 57.3 1.0 CE2 H:PHE114 4.6 57.9 1.0 CB G:GLU51 4.6 54.7 1.0 CA H:PHE114 4.6 58.1 1.0 O G:TRP52 4.6 72.1 1.0 N H:THR113 4.7 57.0 1.0 N G:GLU51 4.8 54.5 1.0 C G:LEU50 4.9 50.3 1.0 O H:PHE114 5.0 41.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of AT1412DM Fab Fragment


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 AT1412DM Fab Fragment within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl301 b:89.8 occ:1.00 N J:PHE114 3.3 79.2 1.0 CA J:THR113 3.4 81.1 1.0 CB J:THR113 3.6 73.0 1.0 CG2 J:THR113 3.7 67.2 1.0 N I:TRP52 3.8 90.7 1.0 CD2 J:PHE114 3.8 74.4 1.0 C J:THR113 3.9 77.4 1.0 CA I:GLU51 4.2 75.7 1.0 CB I:TRP52 4.2 85.8 1.0 CB J:PHE114 4.3 82.7 1.0 O I:LEU50 4.4 76.4 1.0 CA J:PHE114 4.4 77.8 1.0 C I:GLU51 4.5 86.3 1.0 CG J:PHE114 4.5 77.8 1.0 N J:THR113 4.6 98.2 1.0 CA I:TRP52 4.7 84.0 1.0 O J:PHE114 4.7 65.2 1.0 CE2 J:PHE114 4.7 73.5 1.0 CG I:GLU51 4.8 83.0 1.0 CB I:GLU51 5.0 74.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of AT1412DM Fab Fragment


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of AT1412DM Fab Fragment within 5.0Å range: probe atom residue distance (Å) B Occ K:Cl301 b:82.3 occ:1.00 N K:TRP52 3.3 64.7 1.0 CA L:THR113 3.8 67.1 1.0 CA K:GLU51 3.8 69.7 1.0 N L:PHE114 3.8 63.2 1.0 CB K:TRP52 3.9 63.0 1.0 CD2 L:PHE114 4.0 70.9 1.0 CG2 L:THR113 4.0 72.4 1.0 C K:GLU51 4.0 64.9 1.0 CB L:THR113 4.0 66.6 1.0 CG K:GLU51 4.1 74.7 1.0 CA K:TRP52 4.2 63.6 1.0 O K:TRP52 4.3 82.5 1.0 C L:THR113 4.3 61.2 1.0 CB K:GLU51 4.5 73.0 1.0 O K:LEU50 4.5 73.9 1.0 CB L:PHE114 4.6 76.4 1.0 C K:TRP52 4.7 76.2 1.0 CG L:PHE114 4.8 76.8 1.0 CA L:PHE114 4.8 67.6 1.0 CE2 L:PHE114 4.8 72.0 1.0 N K:GLU51 4.9 67.2 1.0 N L:THR113 4.9 72.8 1.0

V.Neviani, W.Pos, R.Schotte, K.Wagner, D.M.Go, C.Fatmawati, M.Kedde, Y.B.Claassen, L.Kroon-Batenburg, M.Lutz, E.M.E.Verdegaal, S.H.Van Der Burg, H.Spits, P.Gros. Structural Basis of A Homo-Dimerization Site in Tetraspanin CD9 Targeted By A Melanoma Patient-Derived Antibody To Be Published.