Atomistry » Fluorine » PDB 6p3u-6pf8 » 6pf1
Atomistry »
  Fluorine »
    PDB 6p3u-6pf8 »
      6pf1 »

Fluorine in PDB 6pf1: Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa

Enzymatic activity of Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa

All present enzymatic activity of Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa:
2.3.1.48;

Protein crystallography data

The structure of Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa, PDB code: 6pf1 was solved by A.S.Gardberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 70.69 / 2.32
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.062, 90.634, 112.950, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 24.7

Other elements in 6pf1:

The structure of Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa (pdb code 6pf1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa, PDB code: 6pf1:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 6pf1

Go back to Fluorine Binding Sites List in 6pf1
Fluorine binding site 1 out of 6 in the Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1702

b:44.6
occ:1.00
 F1 A:OJ71702 0.0 44.6 1.0
C15 A:OJ71702 1.3 43.7 1.0
F2 A:OJ71702 2.1 51.3 1.0
F3 A:OJ71702 2.1 42.7 1.0
C12 A:OJ71702 2.3 38.6 1.0
C13 A:OJ71702 2.8 33.6 1.0
N A:ALA1490 3.1 35.0 1.0
O A:ILE1486 3.2 31.3 1.0
CA A:ALA1490 3.3 36.0 1.0
CB A:ALA1490 3.4 34.0 1.0
C11 A:OJ71702 3.5 34.5 1.0
CB A:GLN1489 3.7 40.2 1.0
C A:GLN1489 3.7 38.5 1.0
CG A:GLN1489 3.8 39.9 1.0
C A:ILE1486 4.1 33.7 1.0
C14 A:OJ71702 4.2 34.2 1.0
CA A:GLN1489 4.3 40.7 1.0
O A:GLN1489 4.3 42.2 1.0
CA A:ILE1486 4.3 34.0 1.0
CB A:ILE1486 4.6 32.8 1.0
N2 A:OJ71702 4.6 33.4 1.0
OD2 A:ASP1493 4.6 54.9 1.0
SD A:MET1588 4.8 44.4 1.0
CD1 A:LEU1495 4.8 51.2 1.0
C A:ALA1490 4.8 38.8 1.0
C10 A:OJ71702 4.9 32.5 1.0
CG2 A:ILE1486 4.9 32.8 1.0
CD2 A:LEU1501 4.9 36.1 1.0
N A:GLN1489 5.0 44.2 1.0

Fluorine binding site 2 out of 6 in 6pf1

Go back to Fluorine Binding Sites List in 6pf1
Fluorine binding site 2 out of 6 in the Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1702

b:51.3
occ:1.00
 F2 A:OJ71702 0.0 51.3 1.0
C15 A:OJ71702 1.3 43.7 1.0
F1 A:OJ71702 2.1 44.6 1.0
F3 A:OJ71702 2.2 42.7 1.0
C12 A:OJ71702 2.4 38.6 1.0
C11 A:OJ71702 2.8 34.5 1.0
CG A:GLN1489 3.2 39.9 1.0
OD2 A:ASP1493 3.5 54.9 1.0
C13 A:OJ71702 3.6 33.6 1.0
CB A:GLN1489 3.9 40.2 1.0
N2 A:OJ71702 4.1 33.4 1.0
N A:ALA1490 4.4 35.0 1.0
C A:GLN1489 4.5 38.5 1.0
CD A:GLN1489 4.5 38.5 1.0
CG2 A:VAL1597 4.6 31.8 1.0
CG A:ASP1493 4.7 55.1 1.0
O A:GLN1489 4.7 42.2 1.0
C14 A:OJ71702 4.7 34.2 1.0
CG1 A:VAL1597 4.8 29.9 1.0
CA A:ALA1490 4.8 36.0 1.0
CA A:GLN1489 4.9 40.7 1.0
C10 A:OJ71702 4.9 32.5 1.0
NE2 A:GLN1489 4.9 33.8 1.0

Fluorine binding site 3 out of 6 in 6pf1

Go back to Fluorine Binding Sites List in 6pf1
Fluorine binding site 3 out of 6 in the Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1702

b:42.7
occ:1.00
 F3 A:OJ71702 0.0 42.7 1.0
C15 A:OJ71702 1.3 43.7 1.0
F1 A:OJ71702 2.1 44.6 1.0
F2 A:OJ71702 2.2 51.3 1.0
C12 A:OJ71702 2.3 38.6 1.0
C13 A:OJ71702 3.0 33.6 1.0
C11 A:OJ71702 3.4 34.5 1.0
CD1 A:LEU1495 3.4 51.2 1.0
CD2 A:LEU1501 3.7 36.1 1.0
C14 A:OJ71702 4.3 34.2 1.0
CA A:ALA1490 4.4 36.0 1.0
CB A:ALA1490 4.5 34.0 1.0
OD2 A:ASP1493 4.5 54.9 1.0
N2 A:OJ71702 4.5 33.4 1.0
N A:ALA1490 4.7 35.0 1.0
O A:GLU1500 4.7 29.2 1.0
CG A:LEU1495 4.7 49.9 1.0
CD A:PRO1502 4.8 30.0 1.0
CB A:LEU1495 4.9 48.4 1.0
C10 A:OJ71702 4.9 32.5 1.0

Fluorine binding site 4 out of 6 in 6pf1

Go back to Fluorine Binding Sites List in 6pf1
Fluorine binding site 4 out of 6 in the Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1702

b:64.8
occ:1.00
 F1 B:OJ71702 0.0 64.8 1.0
C15 B:OJ71702 1.3 47.9 1.0
F3 B:OJ71702 2.1 50.7 1.0
F2 B:OJ71702 2.1 53.8 1.0
C12 B:OJ71702 2.3 39.6 1.0
N B:ALA1490 2.9 40.1 1.0
O B:ILE1486 3.1 32.0 1.0
C13 B:OJ71702 3.1 38.1 1.0
CB B:GLN1489 3.3 49.1 1.0
C B:GLN1489 3.3 43.8 1.0
C11 B:OJ71702 3.3 34.8 1.0
CA B:ALA1490 3.5 43.8 1.0
CG B:GLN1489 3.5 51.3 1.0
CB B:ALA1490 3.8 41.3 1.0
CA B:GLN1489 3.8 46.2 1.0
O B:GLN1489 4.0 42.8 1.0
C B:ILE1486 4.0 34.2 1.0
CA B:ILE1486 4.2 32.9 1.0
C14 B:OJ71702 4.3 38.5 1.0
N2 B:OJ71702 4.5 36.4 1.0
CB B:ILE1486 4.5 33.2 1.0
N B:GLN1489 4.6 44.0 1.0
OD2 B:ASP1493 4.6 55.3 1.0
CG2 B:VAL1597 4.7 27.3 1.0
CG2 B:ILE1486 4.9 32.2 1.0
C10 B:OJ71702 4.9 34.9 1.0
C B:ALA1490 4.9 43.0 1.0
CD B:GLN1489 5.0 50.0 1.0

Fluorine binding site 5 out of 6 in 6pf1

Go back to Fluorine Binding Sites List in 6pf1
Fluorine binding site 5 out of 6 in the Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1702

b:53.8
occ:1.00
 F2 B:OJ71702 0.0 53.8 1.0
C15 B:OJ71702 1.3 47.9 1.0
F1 B:OJ71702 2.1 64.8 1.0
F3 B:OJ71702 2.1 50.7 1.0
C12 B:OJ71702 2.4 39.6 1.0
C11 B:OJ71702 2.8 34.8 1.0
OD2 B:ASP1493 3.6 55.3 1.0
C13 B:OJ71702 3.6 38.1 1.0
CG B:GLN1489 3.7 51.3 1.0
N2 B:OJ71702 4.1 36.4 1.0
CB B:GLN1489 4.2 49.1 1.0
N B:ALA1490 4.4 40.1 1.0
C B:GLN1489 4.5 43.8 1.0
O B:GLN1489 4.6 42.8 1.0
CG B:ASP1493 4.7 55.9 1.0
C14 B:OJ71702 4.7 38.5 1.0
CA B:ALA1490 4.8 43.8 1.0
CG2 B:VAL1597 4.9 27.3 1.0
C10 B:OJ71702 4.9 34.9 1.0
CD B:GLN1489 4.9 50.0 1.0

Fluorine binding site 6 out of 6 in 6pf1

Go back to Fluorine Binding Sites List in 6pf1
Fluorine binding site 6 out of 6 in the Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of the P300 Acetyltransferase Domain with Allosteric Inhibitor Cpi-090 and Coa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1702

b:50.7
occ:1.00
 F3 B:OJ71702 0.0 50.7 1.0
C15 B:OJ71702 1.3 47.9 1.0
F1 B:OJ71702 2.1 64.8 1.0
F2 B:OJ71702 2.1 53.8 1.0
C12 B:OJ71702 2.3 39.6 1.0
C13 B:OJ71702 2.8 38.1 1.0
C11 B:OJ71702 3.5 34.8 1.0
CD2 B:LEU1501 3.7 41.4 1.0
CA B:ALA1490 4.0 43.8 1.0
CB B:ALA1490 4.1 41.3 1.0
C14 B:OJ71702 4.2 38.5 1.0
N B:ALA1490 4.2 40.1 1.0
N2 B:OJ71702 4.6 36.4 1.0
CB B:LEU1495 4.6 53.0 1.0
O B:ILE1486 4.7 32.0 1.0
O B:GLU1500 4.8 36.9 1.0
C B:GLN1489 4.8 43.8 1.0
OD2 B:ASP1493 4.9 55.3 1.0
C10 B:OJ71702 4.9 34.9 1.0

Reference:

A.S.Gardberg, A.J.Huhn, R.Cummings, A.Bommi-Reddy, F.Poy, J.Setser, V.Vivat, F.Brucelle, J.Wilson. Make the Right Measurement: Discovery of An Allosteric Inhibition Site For P300-Hat. Struct Dyn. V. 6 54702 2019.
ISSN: ESSN 2329-7778
PubMed: 31649965
DOI: 10.1063/1.5119336
Page generated: Fri Aug 2 00:15:00 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy