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Chlorine in PDB 2y1x: 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: 2y1x 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) 29.96 / 2.40
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 75.558, 98.757, 207.456, 90.00, 90.00, 90.00
R / Rfree (%) 22.4 / 27.5

Other elements in 2y1x:

The structure of Crystal Structure of Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor also contains other interesting chemical elements:

Fluorine (F) 12 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor (pdb code 2y1x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Coactivator Associated Arginine Methyltransferase 1 (CARM1) in Complex with Sinefungin and Indole Inhibitor, PDB code: 2y1x:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2y1x

Go back to Chlorine Binding Sites List in 2y1x
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1003

b:47.5
occ:1.00
 NE2 A:GLN149 3.0 50.1 1.0
CB A:PHE153 4.1 23.5 1.0
CG A:PHE153 4.1 20.9 1.0
CD1 A:TYR150 4.1 25.1 1.0
CA A:TYR150 4.1 29.0 1.0
N36 A:8451002 4.2 41.7 1.0
CD A:GLN149 4.3 49.5 1.0
C32 A:8451002 4.3 40.3 1.0
O A:GLN149 4.4 33.6 1.0
O A:HOH2118 4.4 23.5 1.0
CD2 A:PHE153 4.4 18.3 1.0
CD1 A:PHE153 4.5 19.6 1.0
O A:HOH2119 4.6 35.0 1.0
C35 A:8451002 4.6 41.3 1.0
C31 A:8451002 4.7 38.1 1.0
CB A:TYR150 4.7 26.6 1.0
O A:TYR150 4.7 29.3 1.0
C33 A:8451002 4.8 38.7 1.0
N A:TYR150 4.8 29.2 1.0
CG A:TYR150 4.8 24.7 1.0
C A:GLN149 4.8 32.8 1.0
CE1 A:TYR150 4.9 22.9 1.0
C34 A:8451002 4.9 40.1 1.0
C A:TYR150 5.0 29.0 1.0
CG A:GLN149 5.0 45.9 1.0

Chlorine binding site 2 out of 4 in 2y1x

Go back to Chlorine Binding Sites List in 2y1x
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1003

b:53.9
occ:1.00
 CB B:PHE153 4.1 24.9 1.0
N36 B:8451002 4.2 45.8 1.0
CA B:TYR150 4.2 30.9 1.0
C32 B:8451002 4.2 43.3 1.0
CG B:PHE153 4.2 24.5 1.0
CD1 B:TYR150 4.3 26.6 1.0
C31 B:8451002 4.4 43.1 1.0
CD1 B:PHE153 4.4 22.5 1.0
CD2 B:PHE153 4.6 21.6 1.0
O B:GLN149 4.6 40.7 1.0
C35 B:8451002 4.6 44.5 1.0
CG B:GLN149 4.7 49.3 1.0
C33 B:8451002 4.7 42.8 1.0
O B:TYR150 4.7 29.1 1.0
NE2 B:GLN149 4.8 53.4 1.0
CB B:TYR150 4.8 29.0 1.0
N B:TYR150 4.8 33.9 1.0
C34 B:8451002 4.9 42.8 1.0
CG B:TYR150 5.0 27.2 1.0
C B:GLN149 5.0 39.8 1.0
C B:TYR150 5.0 30.6 1.0
CE1 B:PHE153 5.0 24.1 1.0

Chlorine binding site 3 out of 4 in 2y1x

Go back to Chlorine Binding Sites List in 2y1x
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1003

b:47.6
occ:1.00
 CG C:PHE153 4.0 18.3 1.0
N36 C:8451002 4.0 40.5 1.0
CB C:PHE153 4.0 20.0 1.0
C32 C:8451002 4.1 39.0 1.0
CA C:TYR150 4.2 27.5 1.0
CD1 C:TYR150 4.2 23.8 1.0
CD2 C:PHE153 4.3 18.7 1.0
CD1 C:PHE153 4.4 19.9 1.0
C35 C:8451002 4.4 39.8 1.0
C31 C:8451002 4.5 38.6 1.0
C33 C:8451002 4.6 37.6 1.0
O C:TYR150 4.7 26.1 1.0
C34 C:8451002 4.7 38.3 1.0
CB C:TYR150 4.8 26.4 1.0
O C:GLN149 4.8 28.4 1.0
CE2 C:PHE153 4.8 21.2 1.0
N C:TYR150 4.8 27.7 1.0
CG C:TYR150 4.9 25.0 1.0
CE1 C:PHE153 4.9 19.7 1.0
C C:TYR150 5.0 28.0 1.0
CE1 C:TYR150 5.0 21.5 1.0

Chlorine binding site 4 out of 4 in 2y1x

Go back to Chlorine Binding Sites List in 2y1x
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1003

b:44.4
occ:1.00
 CB D:PHE153 4.0 22.2 1.0
CG D:PHE153 4.1 19.9 1.0
N36 D:8451002 4.1 47.7 1.0
C32 D:8451002 4.1 46.2 1.0
CA D:TYR150 4.2 25.7 1.0
CD1 D:PHE153 4.3 18.5 1.0
C35 D:8451002 4.4 47.2 1.0
O D:GLN149 4.5 29.8 1.0
CD1 D:TYR150 4.5 22.4 1.0
C31 D:8451002 4.5 44.9 1.0
CD2 D:PHE153 4.5 19.9 1.0
C33 D:8451002 4.6 45.4 1.0
CG D:GLN149 4.7 38.8 1.0
N D:TYR150 4.7 27.7 1.0
C34 D:8451002 4.7 47.0 1.0
C D:GLN149 4.8 29.1 1.0
O D:TYR150 4.8 25.5 1.0
CB D:TYR150 4.9 25.4 1.0
CE1 D:PHE153 4.9 17.7 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: Sat Jul 20 14:23:01 2024

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