Atomistry » Fluorine » PDB 2x2n-2y1w » 2y1w
Atomistry »
  Fluorine »
    PDB 2x2n-2y1w »
      2y1w »

Fluorine in PDB 2y1w: Crystal Structure of Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor

Enzymatic activity of Crystal Structure of Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor

All present enzymatic activity of Crystal Structure of Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor:
2.1.1.125;

Protein crystallography data

The structure of Crystal Structure of Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor, PDB code: 2y1w was solved by J.S.Sack, S.Thieffine, T.Bandiera, M.Fasolini, G.J.Duke, L.Jayaraman, K.F.Kish, H.E.Klei, A.V.Purandare, P.Rosettani, S.Troiani, D.Xie, J.A.Bertrand, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.88 / 2.10
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 74.896, 98.471, 207.184, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 24.4

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor (pdb code 2y1w). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor, PDB code: 2y1w:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 2y1w

Go back to Fluorine Binding Sites List in 2y1w
Fluorine binding site 1 out of 4 in the Crystal Structure of Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor


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 Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1005

b:45.6
occ:1.00
F28 A:8491005 0.0 45.6 1.0
C9 A:8491005 1.4 43.4 1.0
C5 A:8491005 2.4 42.2 1.0
C8 A:8491005 2.5 43.9 1.0
C1 A:8491005 3.1 39.6 1.0
C10 A:8491005 3.2 44.8 1.0
CE2 A:TYR154 3.3 34.5 1.0
CD2 A:PHE153 3.3 34.3 1.0
C25 A:8491005 3.4 44.1 1.0
CE2 A:PHE153 3.5 30.2 1.0
OH A:TYR154 3.5 30.9 1.0
CZ A:TYR154 3.6 34.4 1.0
C6 A:8491005 3.6 42.5 1.0
CE1 A:TYR150 3.7 34.3 1.0
N7 A:8491005 3.7 43.9 1.0
CD1 A:TYR150 3.8 34.2 1.0
OE1 A:GLU267 3.9 34.5 1.0
CG A:PHE153 4.0 34.9 1.0
CD A:GLU267 4.0 32.3 1.0
CD2 A:TYR154 4.2 35.7 1.0
CZ A:PHE153 4.2 32.3 1.0
OE2 A:GLU267 4.3 34.1 1.0
C21 A:8491005 4.3 44.7 1.0
CG A:GLU267 4.5 31.0 1.0
CB A:PHE153 4.6 36.4 1.0
C2 A:8491005 4.6 40.2 1.0
C24 A:8491005 4.6 46.1 1.0
CE1 A:TYR154 4.6 35.4 1.0
CZ A:TYR150 4.6 34.4 1.0
CD1 A:PHE153 4.6 34.2 1.0
CE1 A:PHE153 4.7 33.9 1.0
CG A:TYR150 4.8 33.2 1.0
O26 A:8491005 4.9 43.6 1.0
C4 A:8491005 4.9 40.2 1.0
O A:TYR150 4.9 37.4 1.0

Fluorine binding site 2 out of 4 in 2y1w

Go back to Fluorine Binding Sites List in 2y1w
Fluorine binding site 2 out of 4 in the Crystal Structure of Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor


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 Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1005

b:46.3
occ:1.00
F28 B:8491005 0.0 46.3 1.0
C9 B:8491005 1.4 45.5 1.0
C5 B:8491005 2.4 44.6 1.0
C8 B:8491005 2.5 48.3 1.0
C1 B:8491005 3.1 42.8 1.0
C10 B:8491005 3.2 50.0 1.0
CE2 B:TYR154 3.3 30.5 1.0
CD2 B:PHE153 3.4 30.7 1.0
C25 B:8491005 3.5 50.2 1.0
CE2 B:PHE153 3.6 31.4 1.0
C6 B:8491005 3.6 45.6 1.0
CE1 B:TYR150 3.6 30.5 1.0
OH B:TYR154 3.6 31.1 1.0
N7 B:8491005 3.7 45.5 1.0
CZ B:TYR154 3.7 31.1 1.0
CD1 B:TYR150 3.7 31.5 1.0
OE1 B:GLU267 3.9 33.9 1.0
CD B:GLU267 4.0 33.4 1.0
CG B:PHE153 4.1 32.6 1.0
CD2 B:TYR154 4.1 30.8 1.0
C21 B:8491005 4.3 51.4 1.0
OE2 B:GLU267 4.3 33.7 1.0
CZ B:PHE153 4.3 32.8 1.0
CG B:GLU267 4.4 32.4 1.0
C2 B:8491005 4.5 43.0 1.0
CZ B:TYR150 4.6 31.4 1.0
CB B:PHE153 4.6 30.8 1.0
CE1 B:TYR154 4.7 27.8 1.0
C24 B:8491005 4.7 52.5 1.0
CG B:TYR150 4.7 32.0 1.0
O26 B:8491005 4.7 50.4 1.0
CD1 B:PHE153 4.8 31.2 1.0
O B:TYR150 4.8 32.8 1.0
C4 B:8491005 4.9 44.1 1.0
CE1 B:PHE153 4.9 35.8 1.0

Fluorine binding site 3 out of 4 in 2y1w

Go back to Fluorine Binding Sites List in 2y1w
Fluorine binding site 3 out of 4 in the Crystal Structure of Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor


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 Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1005

b:48.3
occ:1.00
F28 C:8491005 0.0 48.3 1.0
C9 C:8491005 1.4 48.2 1.0
C5 C:8491005 2.4 46.7 1.0
C8 C:8491005 2.5 49.4 1.0
C1 C:8491005 3.1 42.6 1.0
C10 C:8491005 3.2 50.9 1.0
CD2 C:PHE153 3.3 35.5 1.0
CE2 C:TYR154 3.3 27.6 1.0
CE2 C:PHE153 3.4 37.9 1.0
C25 C:8491005 3.4 51.6 1.0
OH C:TYR154 3.5 29.8 1.0
CZ C:TYR154 3.5 29.0 1.0
C6 C:8491005 3.6 47.0 1.0
CE1 C:TYR150 3.7 33.3 1.0
N7 C:8491005 3.7 48.9 1.0
CD1 C:TYR150 3.8 34.5 1.0
OE1 C:GLU267 3.9 30.5 1.0
CG C:PHE153 4.0 36.2 1.0
CD C:GLU267 4.0 33.1 1.0
CD2 C:TYR154 4.1 29.1 1.0
CZ C:PHE153 4.2 37.2 1.0
OE2 C:GLU267 4.3 34.0 1.0
C21 C:8491005 4.4 51.8 1.0
CE1 C:TYR154 4.5 29.5 1.0
CB C:PHE153 4.5 34.3 1.0
CG C:GLU267 4.5 31.1 1.0
C2 C:8491005 4.6 41.2 1.0
CZ C:TYR150 4.6 35.2 1.0
C24 C:8491005 4.6 52.0 1.0
CD1 C:PHE153 4.7 36.6 1.0
CE1 C:PHE153 4.8 37.3 1.0
O C:TYR150 4.8 34.4 1.0
CG C:TYR150 4.8 35.5 1.0
C4 C:8491005 4.9 45.5 1.0
O26 C:8491005 4.9 50.4 1.0
CG C:TYR154 5.0 29.0 1.0

Fluorine binding site 4 out of 4 in 2y1w

Go back to Fluorine Binding Sites List in 2y1w
Fluorine binding site 4 out of 4 in the Crystal Structure of Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor


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 Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F1005

b:38.5
occ:1.00
F28 D:8491005 0.0 38.5 1.0
C9 D:8491005 1.4 37.0 1.0
C5 D:8491005 2.5 35.8 1.0
C8 D:8491005 2.5 36.8 1.0
C1 D:8491005 3.2 34.2 1.0
C10 D:8491005 3.2 38.3 1.0
CE2 D:TYR154 3.3 25.0 1.0
CD1 D:PHE153 3.3 28.7 1.0
C25 D:8491005 3.4 39.2 1.0
CE1 D:PHE153 3.5 29.5 1.0
OH D:TYR154 3.5 25.7 1.0
CZ D:TYR154 3.6 27.3 1.0
C6 D:8491005 3.6 34.3 1.0
CE1 D:TYR150 3.6 30.7 1.0
N7 D:8491005 3.7 37.2 1.0
CD1 D:TYR150 3.8 27.9 1.0
OE1 D:GLU267 4.0 28.6 1.0
CG D:PHE153 4.0 31.0 1.0
CD D:GLU267 4.0 28.3 1.0
CD2 D:TYR154 4.2 26.4 1.0
CZ D:PHE153 4.2 29.8 1.0
OE2 D:GLU267 4.4 29.8 1.0
C21 D:8491005 4.4 38.5 1.0
CG D:GLU267 4.5 25.5 1.0
CB D:PHE153 4.6 29.8 1.0
C2 D:8491005 4.6 34.5 1.0
CE1 D:TYR154 4.6 28.3 1.0
CZ D:TYR150 4.6 30.3 1.0
C24 D:8491005 4.6 38.7 1.0
CD2 D:PHE153 4.7 30.2 1.0
CE2 D:PHE153 4.7 31.7 1.0
O D:TYR150 4.8 28.1 1.0
CG D:TYR150 4.8 28.9 1.0
C4 D:8491005 4.9 34.7 1.0
O26 D:8491005 4.9 40.8 1.0

Reference:

J.S.Sack, S.Thieffine, T.Bandiera, M.Fasolini, G.J.Duke, L.Jayaraman, K.F.Kish, H.E.Klei, A.V.Purandare, P.Rosettani, S.Troiani, D.Xie, J.A.Bertrand. Structural Basis For CARM1 Inhibition By Indole and Pyrazole Inhibitors Biochem.J. V. 436 331 2011.
ISSN: ISSN 0264-6021
PubMed: 21410432
DOI: 10.1042/BJ20102161
Page generated: Wed Jul 31 16:43:45 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