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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

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