Potassium in PDB 6uup: Structure of Anti-HCD33 Conditional Scfv

The structure of Structure of Anti-HCD33 Conditional Scfv, PDB code: 6uup was solved by C.R.Kimberlin, S.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.24 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.234, 104.635, 87.915, 90.00, 113.57, 90.00
R / Rfree (%)	19.7 / 23.7

The binding sites of Potassium atom in the Structure of Anti-HCD33 Conditional Scfv (pdb code 6uup). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 8 binding sites of Potassium where determined in the Structure of Anti-HCD33 Conditional Scfv, PDB code: 6uup:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Potassium binding site 1 out of 8 in the Structure of Anti-HCD33 Conditional Scfv


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of Anti-HCD33 Conditional Scfv within 5.0Å range: probe atom residue distance (Å) B Occ A:K310 b:41.2 occ:1.00 O A:GLY104 2.5 25.6 1.0 O A:ASP102 2.6 37.2 1.0 OD2 A:ASP107 2.6 22.8 1.0 O A:GLU100 2.6 23.2 1.0 OH B:TYR53 2.6 25.3 1.0 C A:ASP102 3.3 29.2 1.0 CG A:GLU99 3.4 18.6 1.0 CZ B:TYR53 3.4 26.5 1.0 N A:GLU100 3.5 25.3 1.0 C A:GLU100 3.5 29.6 1.0 CG A:ASP107 3.5 25.4 1.0 C A:GLY104 3.5 25.3 1.0 N A:GLY104 3.5 27.3 1.0 C A:GLY103 3.6 26.7 1.0 OD1 A:ASP107 3.6 25.4 1.0 CE2 B:TYR53 3.8 27.9 1.0 O A:GLY103 3.9 25.2 1.0 N A:ASP102 3.9 33.5 1.0 N A:GLY103 3.9 34.6 1.0 CA A:GLU100 4.0 28.3 1.0 CA A:GLY103 4.0 32.5 1.0 CA A:GLY104 4.0 24.9 1.0 CA A:ASP102 4.1 32.0 1.0 OE1 A:GLU99 4.1 19.6 1.0 C A:GLU99 4.3 23.2 1.0 CD A:GLU99 4.3 19.8 1.0 O B:HOH427 4.3 19.6 1.0 CE1 B:TYR53 4.3 28.1 1.0 CB A:GLU100 4.4 27.9 1.0 CA A:GLU99 4.4 26.2 1.0 CB A:GLU99 4.5 20.4 1.0 N A:GLY101 4.5 26.7 1.0 C A:GLY101 4.6 31.2 1.0 N A:PHE105 4.6 25.2 1.0 CB A:ASP107 4.9 20.6 1.0 CA A:GLY101 4.9 26.0 1.0 CD2 B:TYR53 4.9 24.8 1.0 CA A:PHE105 5.0 23.2 1.0 NE1 A:TRP32 5.0 22.5 1.0

Potassium binding site 2 out of 8 in the Structure of Anti-HCD33 Conditional Scfv


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of Anti-HCD33 Conditional Scfv within 5.0Å range: probe atom residue distance (Å) B Occ A:K311 b:54.8 occ:1.00 O A:SER28 2.6 26.5 1.0 O A:SER31 2.7 28.7 1.0 O A:HOH540 2.7 45.1 1.0 O B:GLY101 2.8 29.9 1.0 OG A:SER31 3.5 37.8 1.0 CB A:TYR53 3.7 22.6 1.0 C A:SER28 3.8 28.3 1.0 C B:GLY101 3.8 30.8 1.0 C A:SER31 3.8 24.1 1.0 O A:HOH492 3.9 31.3 1.0 N A:SER28 4.2 37.1 1.0 OD2 B:ASP102 4.3 34.2 1.0 O A:HOH511 4.4 30.9 1.0 CA B:GLY101 4.5 24.9 1.0 CB A:SER31 4.5 27.1 1.0 CA A:SER28 4.6 34.0 1.0 CG A:TYR53 4.6 27.6 1.0 CA A:SER31 4.6 25.5 1.0 N B:ASP102 4.7 33.0 1.0 CB B:ASP102 4.7 29.9 1.0 N A:SER31 4.8 24.6 1.0 N A:SER29 4.8 26.7 1.0 O A:HOH468 4.8 37.0 1.0 N A:TRP32 4.8 20.6 1.0 CA A:SER29 4.9 36.8 1.0 CA A:TYR53 4.9 21.8 1.0 CD2 A:TYR53 4.9 23.5 1.0 CA B:ASP102 4.9 34.3 1.0 CG B:ASP102 4.9 39.6 1.0 CA A:TRP32 5.0 19.9 1.0

Potassium binding site 3 out of 8 in the Structure of Anti-HCD33 Conditional Scfv


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Structure of Anti-HCD33 Conditional Scfv within 5.0Å range: probe atom residue distance (Å) B Occ B:K303 b:39.4 occ:1.00 O B:GLY104 2.5 26.7 1.0 O B:ASP102 2.5 36.4 1.0 OH A:TYR53 2.6 23.3 1.0 O B:GLU100 2.6 24.0 1.0 OD2 B:ASP107 2.7 24.4 1.0 CG B:GLU99 3.3 24.0 1.0 CZ A:TYR53 3.3 31.2 1.0 C B:ASP102 3.4 31.3 1.0 N B:GLU100 3.4 24.9 1.0 C B:GLU100 3.5 28.0 1.0 CG B:ASP107 3.5 22.8 1.0 C B:GLY104 3.5 25.7 1.0 N B:GLY104 3.6 25.6 1.0 OD1 B:ASP107 3.7 22.4 1.0 C B:GLY103 3.7 27.8 1.0 CE2 A:TYR53 3.8 29.8 1.0 CA B:GLU100 3.9 23.3 1.0 N B:ASP102 3.9 33.0 1.0 OE1 B:GLU99 4.0 23.5 1.0 CA B:GLY104 4.1 22.7 1.0 O B:GLY103 4.1 30.7 1.0 N B:GLY103 4.1 31.8 1.0 CA B:ASP102 4.2 34.3 1.0 CA B:GLY103 4.2 23.0 1.0 CD B:GLU99 4.2 23.4 1.0 C B:GLU99 4.2 25.9 1.0 CE1 A:TYR53 4.3 25.4 1.0 CB B:GLU100 4.4 23.5 1.0 CA B:GLU99 4.4 23.7 1.0 CB B:GLU99 4.4 24.2 1.0 N B:GLY101 4.5 23.5 1.0 C B:GLY101 4.6 30.8 1.0 N B:PHE105 4.6 28.1 1.0 O A:HOH470 4.7 24.1 1.0 CA B:GLY101 4.9 24.9 1.0 CD2 A:TYR53 4.9 23.5 1.0 CA B:PHE105 4.9 28.7 1.0 CB B:ASP107 4.9 19.9 1.0 NE1 B:TRP32 5.0 22.1 1.0

Potassium binding site 4 out of 8 in the Structure of Anti-HCD33 Conditional Scfv


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Structure of Anti-HCD33 Conditional Scfv within 5.0Å range: probe atom residue distance (Å) B Occ B:K304 b:47.6 occ:1.00 O B:SER31 2.6 33.0 1.0 O B:SER28 2.6 32.3 1.0 O A:GLY101 2.8 33.0 1.0 O A:HOH406 2.8 44.6 1.0 OG B:SER31 3.3 38.5 1.0 OH B:TYR77 3.5 53.4 1.0 C B:SER31 3.7 29.6 1.0 C A:GLY101 3.8 31.2 1.0 C B:SER28 3.8 34.9 1.0 CB B:TYR53 3.9 24.9 1.0 O B:HOH503 4.0 48.9 1.0 O B:HOH417 4.1 21.9 1.0 CB B:SER31 4.3 33.3 1.0 CA A:GLY101 4.4 26.0 1.0 CA B:SER31 4.4 30.5 1.0 N B:SER28 4.5 32.2 1.0 N B:SER31 4.5 29.6 1.0 OD1 A:ASP102 4.5 58.8 1.0 N B:SER29 4.7 35.0 1.0 N B:TRP32 4.7 22.6 1.0 CA B:SER29 4.7 36.9 1.0 CA B:SER28 4.7 37.4 1.0 CG B:TYR53 4.7 22.0 1.0 CZ B:TYR77 4.7 58.2 1.0 N A:ASP102 4.7 33.5 1.0 CA B:TRP32 4.9 22.1 1.0 CB A:ASP102 4.9 36.3 1.0 O B:HOH424 4.9 35.3 1.0 C B:SER29 4.9 33.8 1.0 CD2 B:TYR53 5.0 24.8 1.0

Potassium binding site 5 out of 8 in the Structure of Anti-HCD33 Conditional Scfv


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Structure of Anti-HCD33 Conditional Scfv within 5.0Å range: probe atom residue distance (Å) B Occ C:K309 b:42.5 occ:1.00 O C:GLY104 2.5 24.8 1.0 OD2 C:ASP107 2.6 24.3 1.0 O C:GLU100 2.6 23.2 1.0 OH D:TYR53 2.7 24.2 1.0 O C:ASP102 2.7 40.5 1.0 C C:ASP102 3.3 25.6 1.0 CZ D:TYR53 3.4 28.6 1.0 CG C:GLU99 3.4 23.0 1.0 C C:GLU100 3.4 30.9 1.0 N C:GLU100 3.4 23.2 1.0 CG C:ASP107 3.5 24.1 1.0 C C:GLY104 3.6 23.4 1.0 N C:GLY104 3.6 24.8 1.0 OD1 C:ASP107 3.6 19.6 1.0 C C:GLY103 3.6 26.1 1.0 CE2 D:TYR53 3.7 27.6 1.0 N C:ASP102 3.8 28.9 1.0 CA C:GLU100 3.9 26.2 1.0 N C:GLY103 4.0 33.5 1.0 O C:GLY103 4.0 29.8 1.0 CA C:ASP102 4.0 34.4 1.0 CA C:GLY103 4.1 27.9 1.0 CA C:GLY104 4.1 29.6 1.0 OE1 C:GLU99 4.2 22.6 1.0 C C:GLU99 4.2 23.9 1.0 CD C:GLU99 4.3 19.7 1.0 CE1 D:TYR53 4.3 28.0 1.0 CB C:GLU100 4.4 27.0 1.0 CA C:GLU99 4.4 26.3 1.0 N C:GLY101 4.5 26.8 1.0 O D:HOH638 4.5 22.2 1.0 CB C:GLU99 4.5 23.9 1.0 C C:GLY101 4.5 28.7 1.0 N C:PHE105 4.7 23.7 1.0 CA C:GLY101 4.9 25.7 1.0 CB C:ASP107 4.9 21.6 1.0 CD2 D:TYR53 4.9 23.6 1.0

Potassium binding site 6 out of 8 in the Structure of Anti-HCD33 Conditional Scfv


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Structure of Anti-HCD33 Conditional Scfv within 5.0Å range: probe atom residue distance (Å) B Occ C:K310 b:56.2 occ:1.00 O C:SER31 2.6 30.5 1.0 O D:HOH601 2.7 32.6 1.0 O C:SER28 2.7 24.2 1.0 O D:GLY101 2.9 27.6 1.0 OG C:SER31 3.3 37.1 1.0 O C:HOH524 3.7 27.3 1.0 CB C:TYR53 3.8 22.4 1.0 C C:SER31 3.8 24.6 1.0 C C:SER28 3.9 31.2 1.0 C D:GLY101 3.9 26.9 1.0 N C:SER28 4.3 34.2 1.0 O C:HOH504 4.4 29.3 1.0 O C:HOH502 4.4 36.0 1.0 CB C:SER31 4.5 28.2 1.0 CA C:SER31 4.6 26.8 1.0 CA C:SER28 4.6 35.4 1.0 CA D:GLY101 4.6 20.4 1.0 CG C:TYR53 4.6 26.7 1.0 OD1 D:ASP102 4.7 33.9 1.0 N C:TRP32 4.7 22.0 1.0 N C:SER31 4.8 24.3 1.0 CA C:TRP32 4.8 19.7 1.0 N D:ASP102 4.8 29.8 1.0 CA C:TYR53 4.9 23.5 1.0 N C:SER29 5.0 26.0 1.0 CB C:SER28 5.0 34.1 1.0 CB D:ASP102 5.0 27.5 1.0

Potassium binding site 7 out of 8 in the Structure of Anti-HCD33 Conditional Scfv


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Structure of Anti-HCD33 Conditional Scfv within 5.0Å range: probe atom residue distance (Å) B Occ D:K507 b:52.8 occ:1.00 O D:SER31 2.6 35.3 1.0 O D:SER28 2.6 29.3 1.0 O C:GLY101 2.7 27.3 1.0 O D:HOH629 2.7 37.4 1.0 O D:HOH617 2.8 46.3 1.0 OH D:TYR77 3.2 61.4 1.0 C D:SER31 3.6 25.9 1.0 C C:GLY101 3.7 28.7 1.0 C D:SER28 3.8 33.6 1.0 CB D:TYR53 3.9 24.4 1.0 CB D:SER31 4.1 25.2 1.0 O D:HOH716 4.1 26.2 1.0 CA D:SER31 4.3 30.8 1.0 CA C:GLY101 4.4 25.7 1.0 O D:HOH624 4.4 37.9 1.0 N D:SER28 4.4 36.4 1.0 N D:SER31 4.5 29.3 1.0 CZ D:TYR77 4.6 62.8 1.0 OG D:SER31 4.6 43.7 1.0 CA D:SER28 4.7 37.5 1.0 N D:TRP32 4.7 21.6 1.0 N D:SER29 4.7 33.3 1.0 CB C:ASP102 4.7 36.7 1.0 CG D:TYR53 4.7 21.2 1.0 CA D:SER29 4.7 36.6 1.0 N C:ASP102 4.7 28.9 1.0 CA D:TRP32 4.9 22.2 1.0 CD2 D:TYR53 4.9 23.6 1.0 C D:SER29 5.0 35.1 1.0 CA C:ASP102 5.0 34.4 1.0

Potassium binding site 8 out of 8 in the Structure of Anti-HCD33 Conditional Scfv


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Structure of Anti-HCD33 Conditional Scfv within 5.0Å range: probe atom residue distance (Å) B Occ D:K508 b:39.5 occ:1.00 O D:GLY104 2.5 26.6 1.0 O D:ASP102 2.5 35.9 1.0 OD2 D:ASP107 2.6 25.8 1.0 O D:GLU100 2.6 21.3 1.0 OH C:TYR53 2.6 24.0 1.0 CG D:GLU99 3.3 16.2 1.0 CZ C:TYR53 3.4 31.8 1.0 C D:ASP102 3.4 32.8 1.0 C D:GLY104 3.5 26.8 1.0 N D:GLY104 3.5 22.4 1.0 N D:GLU100 3.5 26.4 1.0 C D:GLU100 3.5 23.8 1.0 CG D:ASP107 3.5 26.3 1.0 C D:GLY103 3.6 27.5 1.0 OD1 D:ASP107 3.7 21.1 1.0 CE1 C:TYR53 3.9 25.3 1.0 CA D:GLY104 4.0 22.4 1.0 CA D:GLU100 4.0 24.9 1.0 N D:ASP102 4.0 29.8 1.0 O D:GLY103 4.1 25.8 1.0 OE1 D:GLU99 4.1 16.9 1.0 N D:GLY103 4.1 27.9 1.0 CA D:GLY103 4.1 22.7 1.0 CD D:GLU99 4.2 22.9 1.0 C D:GLU99 4.3 25.0 1.0 CE2 C:TYR53 4.3 22.3 1.0 CA D:ASP102 4.3 29.4 1.0 CB D:GLU100 4.4 26.6 1.0 CA D:GLU99 4.4 24.1 1.0 CB D:GLU99 4.4 19.4 1.0 O C:HOH412 4.5 22.3 1.0 N D:GLY101 4.5 24.8 1.0 N D:PHE105 4.6 27.5 1.0 C D:GLY101 4.7 26.9 1.0 CB D:ASP107 4.9 22.4 1.0 CA D:PHE105 4.9 22.1 1.0 CA D:GLY101 5.0 20.4 1.0

S.Park, E.Pascua, K.Lindquist, C.R.Kimberlin, X.Deng, Y.S.L.Mak, Z.Melton, T.O.Johnson, R.Lin, B.Boldajipour, R.T.Abraham, J.Pons, B.J.Sasu, T.Van Blarcom, J.Chaparro-Rigger. Small Molecule-Regulated Antibodies Conditionally Redirect Car-Ts to CD33+ Acute Myeloid Leukemia (Aml) Tumor To Be Published.