Potassium in PDB 6vrq: Crystal Structure of GL12A21 Fab in Complex with Anti-Idiotypic IV12 Fab

The structure of Crystal Structure of GL12A21 Fab in Complex with Anti-Idiotypic IV12 Fab, PDB code: 6vrq was solved by S.S.Aljedani, C.Weidle, M.Pancera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.12 / 2.57
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.174, 202.858, 72.341, 90, 93.01, 90
R / Rfree (%)	18.9 / 24.1

The structure of Crystal Structure of GL12A21 Fab in Complex with Anti-Idiotypic IV12 Fab also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Potassium atom in the Crystal Structure of GL12A21 Fab in Complex with Anti-Idiotypic IV12 Fab (pdb code 6vrq). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 5 binding sites of Potassium where determined in the Crystal Structure of GL12A21 Fab in Complex with Anti-Idiotypic IV12 Fab, PDB code: 6vrq:
Jump to Potassium binding site number: 1; 2; 3; 4; 5;

Potassium binding site 1 out of 5 in the Crystal Structure of GL12A21 Fab in Complex with Anti-Idiotypic IV12 Fab


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of GL12A21 Fab in Complex with Anti-Idiotypic IV12 Fab within 5.0Å range: probe atom residue distance (Å) B Occ L:K501 b:80.2 occ:1.00 HG23 L:VAL19 3.1 44.6 1.0 O L:HOH647 3.1 46.1 1.0 O L:SER12 3.5 43.6 1.0 O L:HOH660 3.7 59.1 1.0 HA L:VAL19 3.8 44.8 1.0 HE2 L:MET11 3.9 57.1 1.0 HB L:THR13 3.9 59.7 1.0 CG2 L:VAL19 3.9 37.1 1.0 HB L:VAL19 4.0 52.4 1.0 HA L:THR13 4.1 58.1 1.0 O L:ARG18 4.2 44.4 1.0 HG21 L:VAL19 4.2 44.6 1.0 CB L:VAL19 4.4 43.7 1.0 OG1 L:THR13 4.4 55.0 1.0 HE3 L:MET11 4.4 57.1 1.0 CE L:MET11 4.5 47.5 1.0 CB L:THR13 4.5 49.8 1.0 CA L:VAL19 4.5 37.4 1.0 HE1 L:MET11 4.5 57.1 1.0 HG1 L:THR13 4.6 66.1 1.0 HG22 L:VAL19 4.6 44.6 1.0 C L:SER12 4.7 40.7 1.0 CA L:THR13 4.7 48.4 1.0 H L:SER20 4.9 46.5 1.0 HB3 L:MET11 5.0 38.6 1.0

Potassium binding site 2 out of 5 in the Crystal Structure of GL12A21 Fab in Complex with Anti-Idiotypic IV12 Fab


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of GL12A21 Fab in Complex with Anti-Idiotypic IV12 Fab within 5.0Å range: probe atom residue distance (Å) B Occ A:K307 b:46.9 occ:1.00 H A:ARG71 2.5 36.1 1.0 HH21 A:ARG71 2.6 52.7 1.0 HA A:THR70 2.7 36.2 1.0 O A:HOH430 2.8 35.1 1.0 HB A:THR70 3.0 33.1 1.0 HG22 A:THR70 3.0 33.7 1.0 NH2 A:ARG71 3.1 43.9 1.0 HG3 A:ARG71 3.1 42.1 1.0 HH22 A:ARG71 3.1 52.7 1.0 N A:ARG71 3.3 30.1 1.0 CA A:THR70 3.4 30.2 1.0 CB A:THR70 3.4 27.5 1.0 HD11 A:ILE51 3.5 31.6 1.0 CG2 A:THR70 3.6 28.1 1.0 HD2 A:ARG71 3.8 36.9 1.0 C A:THR70 3.8 30.7 1.0 O A:ARG71 3.8 39.2 1.0 CZ A:ARG71 4.0 32.1 1.0 CG A:ARG71 4.0 35.1 1.0 HG21 A:THR70 4.1 33.7 1.0 O A:HOH460 4.2 39.0 1.0 CD A:ARG71 4.3 30.8 1.0 CD1 A:ILE51 4.3 26.4 1.0 HD12 A:ILE51 4.3 31.6 1.0 CA A:ARG71 4.4 28.8 1.0 HG23 A:THR70 4.4 33.7 1.0 HD13 A:ILE51 4.5 31.6 1.0 NE A:ARG71 4.5 29.8 1.0 C A:ARG71 4.5 34.1 1.0 H42 A:PEG310 4.6 50.5 1.0 O A:MET69 4.6 27.3 1.0 O A:HOH448 4.7 39.2 1.0 HG2 A:ARG71 4.7 42.1 1.0 N A:THR70 4.7 28.1 1.0 HA2 A:GLY55 4.7 36.6 1.0 CB A:ARG71 4.8 30.9 1.0 OG1 A:THR70 4.8 35.6 1.0 HA3 A:GLY55 4.9 36.6 1.0 NH1 A:ARG71 4.9 35.7 1.0 HH12 A:ARG71 5.0 42.8 1.0

Potassium binding site 3 out of 5 in the Crystal Structure of GL12A21 Fab in Complex with Anti-Idiotypic IV12 Fab


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of GL12A21 Fab in Complex with Anti-Idiotypic IV12 Fab within 5.0Å range: probe atom residue distance (Å) B Occ A:K308 b:46.0 occ:1.00 H21 A:EDO306 2.4 45.4 1.0 O A:HOH413 2.6 34.9 1.0 O A:SER100B 2.6 40.6 1.0 O A:ASP99 2.7 43.6 1.0 OD2 A:ASP95 2.7 28.9 1.0 HG A:SER97 2.7 47.8 1.0 H22 A:EDO306 3.0 45.4 1.0 O A:SER97 3.1 31.8 1.0 C2 A:EDO306 3.2 37.8 1.0 HB3 A:SER97 3.2 45.6 1.0 OG A:SER97 3.5 39.8 1.0 CG A:ASP95 3.6 30.6 1.0 HD1 A:TRP100C 3.6 48.9 1.0 C A:SER97 3.7 36.9 1.0 OD1 A:ASP95 3.7 28.5 1.0 CB A:SER97 3.8 38.0 1.0 C A:SER100B 3.8 36.9 1.0 C A:ASP99 3.8 36.2 1.0 H11 A:EDO306 3.8 48.4 1.0 H A:ASP99 3.8 44.4 1.0 HA A:TRP100C 3.9 46.2 1.0 C1 A:EDO306 4.0 40.3 1.0 N A:ASP99 4.1 37.0 1.0 H12 A:EDO306 4.2 48.4 1.0 CA A:SER97 4.3 34.1 1.0 CD1 A:TRP100C 4.3 40.7 1.0 HO2 A:EDO306 4.3 28.6 1.0 O2 A:EDO306 4.3 23.8 1.0 HB3 A:ASP99 4.4 54.1 1.0 H A:SER97 4.4 43.4 1.0 HA2 A:GLY98 4.4 34.4 1.0 HB2 A:SER100B 4.4 52.1 1.0 N A:GLY98 4.5 33.1 1.0 H A:SER100B 4.5 62.9 1.0 CA A:ASP99 4.5 34.8 1.0 C A:GLY98 4.6 39.1 1.0 O H:HOH450 4.6 33.7 1.0 N A:SER100B 4.6 52.4 1.0 HA A:ASP100 4.6 54.1 1.0 HB2 A:SER97 4.6 45.6 1.0 O A:HOH410 4.7 28.8 1.0 CA A:TRP100C 4.7 38.5 1.0 N A:TRP100C 4.7 37.5 1.0 CA A:GLY98 4.7 28.7 1.0 CA A:SER100B 4.7 36.1 1.0 HB3 H:PRO98 4.8 30.1 1.0 N A:SER97 4.8 36.1 1.0 H A:THR100A 4.8 51.0 1.0 N A:ASP100 4.9 34.0 1.0 CB A:ASP95 4.9 25.4 1.0 HB3 A:ASP95 4.9 30.5 1.0 N A:THR100A 4.9 42.5 1.0 HE1 A:TRP100C 4.9 48.6 1.0 H A:HIS100D 4.9 46.9 1.0 C A:ASP100 5.0 42.5 1.0 CB A:ASP99 5.0 45.1 1.0

Potassium binding site 4 out of 5 in the Crystal Structure of GL12A21 Fab in Complex with Anti-Idiotypic IV12 Fab


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of GL12A21 Fab in Complex with Anti-Idiotypic IV12 Fab within 5.0Å range: probe atom residue distance (Å) B Occ B:K502 b:71.1 occ:1.00 O B:HOH678 2.8 46.1 1.0 HG22 B:ILE29 3.6 43.1 1.0 HD11 B:LEU91 3.6 60.2 1.0 O B:HOH680 3.8 49.5 1.0 HD12 B:LEU91 3.8 60.2 1.0 HA B:ILE29 3.9 44.5 1.0 CD1 B:LEU91 4.2 50.2 1.0 HB B:ILE29 4.2 45.5 1.0 HG21 A:THR100A 4.3 65.1 1.0 HD2 B:TYR32 4.4 57.9 1.0 CG2 B:ILE29 4.4 35.9 1.0 HE21 B:GLN27 4.4 47.1 1.0 HD11 B:ILE2 4.5 51.5 1.0 HG21 B:VAL90 4.5 41.5 1.0 HG21 B:ILE29 4.5 43.1 1.0 HD13 B:LEU91 4.6 60.2 1.0 CB B:ILE29 4.6 37.9 1.0 HG22 B:VAL90 4.7 41.5 1.0 CA B:ILE29 4.7 37.0 1.0 HG23 A:THR100A 4.7 65.1 1.0 CD2 B:TYR32 4.7 48.3 1.0 HG22 A:THR100A 4.8 65.1 1.0 CG2 A:THR100A 4.8 54.2 1.0 HD13 B:ILE2 4.9 51.5 1.0 HB2 B:TYR32 5.0 45.4 1.0

Potassium binding site 5 out of 5 in the Crystal Structure of GL12A21 Fab in Complex with Anti-Idiotypic IV12 Fab


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystal Structure of GL12A21 Fab in Complex with Anti-Idiotypic IV12 Fab within 5.0Å range: probe atom residue distance (Å) B Occ B:K503 b:86.2 occ:1.00 O B:ARG211 2.7 77.4 1.0 HA B:GLU187 3.1 89.7 1.0 O B:GLU187 3.2 74.9 1.0 O B:HIS189 3.2 68.5 1.0 OE1 B:GLU187 3.6 73.7 1.0 HA B:ARG211 3.8 91.0 1.0 C B:ARG211 3.8 68.3 1.0 CA B:GLU187 3.9 74.8 1.0 C B:GLU187 3.9 69.9 1.0 O B:TYR186 4.2 75.6 1.0 HA B:LYS190 4.2 93.1 1.0 HB3 B:GLU187 4.3 83.8 1.0 CA B:ARG211 4.3 75.8 1.0 C B:HIS189 4.4 64.0 1.0 H B:HIS189 4.6 90.1 1.0 CB B:GLU187 4.7 69.8 1.0 CD B:GLU187 4.7 73.3 1.0 CB B:LYS190 4.9 72.8 1.0 CA B:LYS190 4.9 77.5 1.0 HE2 B:TYR192 4.9 89.0 1.0 HB3 B:ARG211 4.9 91.2 1.0 N B:GLU187 4.9 80.4 1.0 C B:TYR186 5.0 73.4 1.0

S.S.Aljedani, C.Weidle, M.Pancera. Anti-Idiotype To Be Published.