Potassium in PDB 1p4r: Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor BW1540U88UD

All present enzymatic activity of Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor BW1540U88UD:
2.1.2.3; 3.5.4.10;

The structure of Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor BW1540U88UD, PDB code: 1p4r was solved by C.-G.Cheong, S.E.Greasley, P.A.Horton, G.P.Beardsley, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.595, 93.035, 164.192, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 25.7

The binding sites of Potassium atom in the Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor BW1540U88UD (pdb code 1p4r). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor BW1540U88UD, PDB code: 1p4r:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor BW1540U88UD


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 Human Atic in Complex with Folate- Based Inhibitor BW1540U88UD within 5.0Å range: probe atom residue distance (Å) B Occ A:K1001 b:19.4 occ:1.00 O A:VAL425 2.6 14.8 1.0 O A:LEU589 2.7 15.3 1.0 OD1 A:ASP539 2.7 17.4 1.0 O A:THR428 2.7 12.9 1.0 OG A:SER430 3.1 17.9 1.0 OG A:SER432 3.1 23.0 1.0 N A:HIS591 3.4 14.2 1.0 CB A:HIS591 3.5 13.8 1.0 CB A:SER432 3.5 22.0 1.0 CG A:ASP539 3.6 16.3 1.0 CB A:ASP539 3.7 15.7 1.0 C A:LEU589 3.8 14.8 1.0 C A:VAL425 3.8 13.8 1.0 C A:THR428 3.8 13.2 1.0 C A:PHE590 3.9 14.7 1.0 CA A:PHE590 4.0 14.4 1.0 CA A:HIS591 4.1 16.7 1.0 N A:THR428 4.2 13.6 1.0 N A:SER430 4.3 14.2 1.0 CB A:SER430 4.3 14.8 1.0 N A:PHE590 4.3 15.8 1.0 CA A:THR428 4.4 14.7 1.0 O A:LYS426 4.4 17.0 1.0 C A:LYS426 4.5 16.0 1.0 CA A:LYS426 4.5 14.8 1.0 C A:GLN429 4.5 14.6 1.0 CA A:SER430 4.5 15.7 1.0 CB A:THR428 4.6 15.1 1.0 N A:LYS426 4.6 14.0 1.0 O A:PHE590 4.7 14.2 1.0 CG A:HIS591 4.7 13.7 1.0 OD2 A:ASP539 4.8 18.0 1.0 O A:HIS591 4.8 17.5 1.0 CA A:VAL425 4.8 13.3 1.0 CG2 A:VAL425 4.8 14.5 1.0 N A:GLN429 4.8 10.9 1.0 O A:GLN429 4.8 14.8 1.0 CB A:LEU589 4.9 13.9 1.0 CA A:SER432 4.9 21.0 1.0 C A:HIS591 4.9 17.0 1.0 CA A:LEU589 5.0 14.8 1.0 CA A:GLN429 5.0 12.9 1.0

Potassium binding site 2 out of 2 in the Crystal Structure of Human Atic in Complex with Folate- Based Inhibitor BW1540U88UD


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 Human Atic in Complex with Folate- Based Inhibitor BW1540U88UD within 5.0Å range: probe atom residue distance (Å) B Occ B:K1002 b:19.2 occ:1.00 O B:VAL425 2.5 12.6 1.0 O B:THR428 2.6 8.6 1.0 O B:LEU589 2.7 16.6 1.0 OD1 B:ASP539 2.8 17.5 1.0 OG B:SER432 2.9 16.2 1.0 OG B:SER430 3.0 12.4 1.0 CB B:SER432 3.5 15.7 1.0 CB B:HIS591 3.5 11.1 1.0 N B:HIS591 3.7 11.6 1.0 C B:VAL425 3.7 12.4 1.0 C B:THR428 3.7 11.1 1.0 CG B:ASP539 3.7 18.9 1.0 CB B:ASP539 3.8 17.1 1.0 C B:LEU589 3.9 15.1 1.0 C B:PHE590 4.0 14.2 1.0 CA B:PHE590 4.1 13.3 1.0 N B:THR428 4.2 13.2 1.0 CB B:SER430 4.2 13.7 1.0 N B:SER430 4.2 13.0 1.0 CA B:HIS591 4.2 12.3 1.0 CA B:THR428 4.4 13.1 1.0 CA B:SER430 4.4 16.2 1.0 C B:GLN429 4.4 10.6 1.0 CB B:THR428 4.4 13.4 1.0 O B:LYS426 4.5 16.8 1.0 C B:LYS426 4.5 14.5 1.0 N B:PHE590 4.5 14.1 1.0 CA B:VAL425 4.6 12.4 1.0 CA B:LYS426 4.6 14.0 1.0 N B:LYS426 4.6 13.1 1.0 O B:PHE590 4.6 13.7 1.0 CG B:HIS591 4.7 10.8 1.0 N B:GLN429 4.7 10.8 1.0 O B:GLN429 4.7 6.7 1.0 CB B:LEU589 4.7 15.3 1.0 CB B:VAL425 4.7 12.2 1.0 CA B:SER432 4.8 17.5 1.0 O B:HIS591 4.8 16.3 1.0 N B:SER432 4.9 17.6 1.0 CA B:GLN429 4.9 10.2 1.0 OD2 B:ASP539 4.9 20.8 1.0 CA B:LEU589 5.0 15.5 1.0

C.-G.Cheong, D.W.Wolan, S.E.Greasley, P.A.Horton, G.P.Beardsley, I.A.Wilson. Crystal Structures of Human Bifunctional Enzyme Aminoimidazole-4-Carboxamide Ribonucleotide Transformylase/Imp Cyclohydrolase in Complex with Potent Sulfonyl-Containing Antifolates J.Biol.Chem. V. 279 18034 2004.
ISSN: ISSN 0021-9258
PubMed: 14966129
DOI: 10.1074/JBC.M313691200