Potassium in PDB 3p1f: Crystal Structure of the Bromodomain of Human Crebbp in Complex with A Hydroquinazolin Ligand

All present enzymatic activity of Crystal Structure of the Bromodomain of Human Crebbp in Complex with A Hydroquinazolin Ligand:
2.3.1.48;

The structure of Crystal Structure of the Bromodomain of Human Crebbp in Complex with A Hydroquinazolin Ligand, PDB code: 3p1f was solved by P.Filippakopoulos, S.Picaud, O.Fedorov, J.Muniz, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, S.Knapp, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.59 / 1.63
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	110.270, 38.620, 79.460, 90.00, 127.67, 90.00
R / Rfree (%)	18.2 / 21.8

The binding sites of Potassium atom in the Crystal Structure of the Bromodomain of Human Crebbp in Complex with A Hydroquinazolin Ligand (pdb code 3p1f). 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 the Bromodomain of Human Crebbp in Complex with A Hydroquinazolin Ligand, PDB code: 3p1f:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Crystal Structure of the Bromodomain of Human Crebbp in Complex with A Hydroquinazolin Ligand


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 the Bromodomain of Human Crebbp in Complex with A Hydroquinazolin Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:K2 b:27.9 occ:1.00 O A:ASN1168 2.8 17.4 1.0 O A:TRP1165 2.8 17.1 1.0 O A:LEU1166 2.9 18.4 1.0 O A:HOH187 3.1 36.2 1.0 C A:LEU1166 3.6 21.7 1.0 C A:ASN1168 3.8 14.3 1.0 C A:TRP1165 3.9 16.2 1.0 CA A:LEU1166 4.1 16.6 1.0 C A:TYR1167 4.4 16.9 1.0 N A:ASN1168 4.4 18.3 1.0 O A:HOH99 4.4 29.9 1.0 N A:LEU1166 4.4 17.4 1.0 CA A:ARG1169 4.5 18.9 1.0 N A:TYR1167 4.5 15.7 1.0 N A:ARG1169 4.5 18.8 1.0 CE2 A:TYR1175 4.5 15.2 1.0 O A:TYR1167 4.7 16.4 1.0 CD2 A:TYR1175 4.7 14.9 1.0 O A:HOH145 4.7 39.7 1.0 CA A:ASN1168 4.7 17.5 1.0 C A:ARG1169 4.9 18.3 1.0 N A:LYS1170 4.9 19.8 1.0 CA A:TYR1167 4.9 17.0 1.0

Potassium binding site 2 out of 2 in the Crystal Structure of the Bromodomain of Human Crebbp in Complex with A Hydroquinazolin Ligand


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 the Bromodomain of Human Crebbp in Complex with A Hydroquinazolin Ligand within 5.0Å range: probe atom residue distance (Å) B Occ B:K1 b:21.5 occ:1.00 O B:ASN1168 2.6 17.3 1.0 O B:TRP1165 2.7 16.3 1.0 O1 A:EDO6 2.7 28.9 1.0 O A:HOH225 2.9 37.3 1.0 O B:LEU1166 3.0 17.2 1.0 O B:HOH162 3.0 38.2 1.0 C B:LEU1166 3.6 16.7 1.0 C1 A:EDO6 3.6 46.9 1.0 C B:ASN1168 3.6 17.2 1.0 C B:TRP1165 3.8 16.0 1.0 O B:HOH219 4.0 34.9 1.0 CA B:LEU1166 4.1 14.1 1.0 C2 A:EDO6 4.2 26.5 1.0 N B:ASN1168 4.3 17.1 1.0 CA B:ARG1169 4.3 19.0 1.0 CE2 B:TYR1175 4.3 12.6 1.0 N B:ARG1169 4.4 19.2 1.0 N B:LEU1166 4.4 11.7 1.0 C B:TYR1167 4.4 16.9 1.0 N B:TYR1167 4.5 15.1 1.0 O B:HOH98 4.5 20.1 1.0 CD2 B:TYR1175 4.5 18.7 1.0 CA B:ASN1168 4.6 19.5 1.0 O B:TYR1167 4.7 16.6 1.0 C B:ARG1169 4.8 18.4 1.0 N B:LYS1170 4.9 18.5 1.0 CA B:TYR1167 5.0 15.9 1.0

P.Filippakopoulos, S.Picaud, O.Fedorov, J.Muniz, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, S.Knapp, Structural Genomics Consortium (Sgc). Crystal Structure of the Bromodomain of Human Crebbp in Complex with A Hydroquinazolin Ligand To Be Published.