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Chlorine in PDB 8t68: Crystal Structure of the Set Domain of Human Histone-Lysine N- Methyltransferase SUV420H1 in Complex with RQ3-111

Enzymatic activity of Crystal Structure of the Set Domain of Human Histone-Lysine N- Methyltransferase SUV420H1 in Complex with RQ3-111

All present enzymatic activity of Crystal Structure of the Set Domain of Human Histone-Lysine N- Methyltransferase SUV420H1 in Complex with RQ3-111:
2.1.1.361; 2.1.1.362;

Protein crystallography data

The structure of Crystal Structure of the Set Domain of Human Histone-Lysine N- Methyltransferase SUV420H1 in Complex with RQ3-111, PDB code: 8t68 was solved by H.Zeng, A.Dong, P.J.Brown, C.H.Arrowsmith, A.M.Edwards, L.Halabelian, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.76 / 1.90
Space group P 2 21 21
Cell size a, b, c (Å), α, β, γ (°) 36.149, 75.528, 96.807, 90, 90, 90
R / Rfree (%) 22.6 / 26.4

Other elements in 8t68:

The structure of Crystal Structure of the Set Domain of Human Histone-Lysine N- Methyltransferase SUV420H1 in Complex with RQ3-111 also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Set Domain of Human Histone-Lysine N- Methyltransferase SUV420H1 in Complex with RQ3-111 (pdb code 8t68). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Set Domain of Human Histone-Lysine N- Methyltransferase SUV420H1 in Complex with RQ3-111, PDB code: 8t68:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 8t68

Go back to Chlorine Binding Sites List in 8t68
Chlorine binding site 1 out of 2 in the Crystal Structure of the Set Domain of Human Histone-Lysine N- Methyltransferase SUV420H1 in Complex with RQ3-111


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 the Set Domain of Human Histone-Lysine N- Methyltransferase SUV420H1 in Complex with RQ3-111 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:23.1
occ:1.00
CL1 A:ZKI403 0.0 23.1 1.0
C7 A:ZKI403 1.7 24.2 1.0
C6 A:ZKI403 2.6 21.7 1.0
C8 A:ZKI403 2.7 22.2 1.0
CL A:ZKI403 3.1 26.6 1.0
N A:ALA269 3.3 21.0 1.0
C A:ALA268 3.3 17.5 1.0
CB A:ALA268 3.3 17.7 1.0
O A:ALA268 3.5 17.6 1.0
CA A:ALA269 3.7 22.9 1.0
CA A:GLY229 3.8 22.0 1.0
CA A:ALA268 3.9 17.1 1.0
CB A:TRP264 3.9 20.8 1.0
C9 A:ZKI403 4.0 21.0 1.0
C5 A:ZKI403 4.0 21.2 1.0
CB A:ALA269 4.1 21.8 1.0
O A:HOH534 4.2 27.8 1.0
CE1 A:PHE281 4.2 21.9 1.0
CE3 A:TRP264 4.2 20.4 1.0
O A:HOH539 4.4 19.9 1.0
N A:GLY229 4.4 21.6 1.0
C10 A:ZKI403 4.5 21.3 1.0
CG A:TRP264 4.6 20.3 1.0
CD2 A:TRP264 4.6 19.6 1.0
N A:ALA268 4.6 18.6 1.0
CZ A:PHE281 4.7 21.8 1.0
C A:TRP264 4.7 21.3 1.0
O A:TRP264 4.8 20.0 1.0
C A:GLY229 4.9 22.9 1.0
CA A:TRP264 4.9 21.5 1.0
CD1 A:PHE281 4.9 23.4 1.0

Chlorine binding site 2 out of 2 in 8t68

Go back to Chlorine Binding Sites List in 8t68
Chlorine binding site 2 out of 2 in the Crystal Structure of the Set Domain of Human Histone-Lysine N- Methyltransferase SUV420H1 in Complex with RQ3-111


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 the Set Domain of Human Histone-Lysine N- Methyltransferase SUV420H1 in Complex with RQ3-111 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:26.6
occ:1.00
CL A:ZKI403 0.0 26.6 1.0
C8 A:ZKI403 1.7 22.2 1.0
C9 A:ZKI403 2.7 21.0 1.0
C7 A:ZKI403 2.7 24.2 1.0
CL1 A:ZKI403 3.1 23.1 1.0
O A:ALA289 3.3 21.6 1.0
N A:GLY229 3.4 21.6 1.0
CB A:ALA289 3.4 19.3 1.0
CB A:ALA268 3.5 17.7 1.0
CA A:GLY229 3.6 22.0 1.0
C A:ALA289 3.6 18.9 1.0
CD1 A:PHE281 3.8 23.4 1.0
CE3 A:TRP264 4.0 20.4 1.0
C6 A:ZKI403 4.0 21.7 1.0
CE1 A:PHE281 4.0 21.9 1.0
CZ3 A:TRP264 4.0 21.4 1.0
C10 A:ZKI403 4.0 21.3 1.0
CA A:ALA289 4.0 18.7 1.0
N A:CYS290 4.2 19.5 1.0
C A:VAL228 4.3 21.2 1.0
C A:GLY229 4.3 22.9 1.0
O A:GLY229 4.3 22.2 1.0
O A:CYS290 4.4 18.5 1.0
CA A:CYS290 4.5 18.1 1.0
N A:ALA289 4.5 19.9 1.0
C5 A:ZKI403 4.5 21.2 1.0
CG A:PHE281 4.7 21.6 1.0
C A:CYS290 4.8 17.4 1.0
CD2 A:TRP264 4.8 19.6 1.0
CH2 A:TRP264 4.9 20.5 1.0
CA A:VAL228 4.9 21.6 1.0
CA A:ALA268 4.9 17.1 1.0

Reference:

H.Zeng, A.Dong, P.J.Brown, C.H.Arrowsmith, A.M.Edwards, L.Halabelian, Structural Genomics Consortium (Sgc). Crystal Structure of the Set Domain of Human Histone-Lysine N-Methyltransferase SUV420H1 in Complex with RQ3-111. To Be Published.
Page generated: Tue Dec 10 19:26:26 2024

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