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Chlorine in PDB 6p0r: Methyltransferase Domain of Human Suppressor of Variegation 3-9 Homolog 2 (SUV39H2) in Complex with OTS186935 Inhibitor

Enzymatic activity of Methyltransferase Domain of Human Suppressor of Variegation 3-9 Homolog 2 (SUV39H2) in Complex with OTS186935 Inhibitor

All present enzymatic activity of Methyltransferase Domain of Human Suppressor of Variegation 3-9 Homolog 2 (SUV39H2) in Complex with OTS186935 Inhibitor:
2.1.1.43;

Protein crystallography data

The structure of Methyltransferase Domain of Human Suppressor of Variegation 3-9 Homolog 2 (SUV39H2) in Complex with OTS186935 Inhibitor, PDB code: 6p0r was solved by L.Halabelian, A.Dong, H.Zeng, P.Loppnau, C.Bountra, A.M.Edwards, C.H.Arrowsmith, P.J.Brown, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.01 / 2.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 146.701, 63.388, 65.616, 90.00, 113.17, 90.00
R / Rfree (%) 21.2 / 26.7

Other elements in 6p0r:

The structure of Methyltransferase Domain of Human Suppressor of Variegation 3-9 Homolog 2 (SUV39H2) in Complex with OTS186935 Inhibitor also contains other interesting chemical elements:

Zinc (Zn) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Methyltransferase Domain of Human Suppressor of Variegation 3-9 Homolog 2 (SUV39H2) in Complex with OTS186935 Inhibitor (pdb code 6p0r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Methyltransferase Domain of Human Suppressor of Variegation 3-9 Homolog 2 (SUV39H2) in Complex with OTS186935 Inhibitor, PDB code: 6p0r:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6p0r

Go back to Chlorine Binding Sites List in 6p0r
Chlorine binding site 1 out of 2 in the Methyltransferase Domain of Human Suppressor of Variegation 3-9 Homolog 2 (SUV39H2) in Complex with OTS186935 Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Methyltransferase Domain of Human Suppressor of Variegation 3-9 Homolog 2 (SUV39H2) in Complex with OTS186935 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:35.4
occ:1.00
 CL A:NM4501 0.0 35.4 1.0
C5 A:NM4501 1.7 35.9 1.0
C6 A:NM4501 2.7 35.2 1.0
C1 A:NM4501 2.7 37.7 1.0
O A:NM4501 2.9 37.5 1.0
CD1 A:LEU356 3.5 26.7 1.0
CB A:SER326 3.8 32.9 1.0
CB A:PHE370 3.8 33.5 1.0
CD2 A:LEU356 3.9 26.3 1.0
C7 A:NM4501 4.0 36.8 1.0
C2 A:NM4501 4.0 37.9 1.0
O A:SER326 4.0 34.4 1.0
CB A:VAL329 4.0 35.8 1.0
CG1 A:VAL329 4.1 35.4 1.0
CG A:PHE370 4.2 33.6 1.0
CD1 A:TYR280 4.2 35.7 1.0
CD2 A:PHE370 4.2 33.9 1.0
C A:NM4501 4.3 38.5 1.0
CG2 A:VAL329 4.3 36.2 1.0
CG A:LEU356 4.3 26.5 1.0
CA A:SER326 4.5 33.2 1.0
C3 A:NM4501 4.5 37.9 1.0
CE1 A:TYR280 4.6 35.5 1.0
C A:SER326 4.7 34.6 1.0
CD1 A:LEU337 4.7 28.1 1.0
OG A:SER326 4.8 32.1 1.0

Chlorine binding site 2 out of 2 in 6p0r

Go back to Chlorine Binding Sites List in 6p0r
Chlorine binding site 2 out of 2 in the Methyltransferase Domain of Human Suppressor of Variegation 3-9 Homolog 2 (SUV39H2) in Complex with OTS186935 Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Methyltransferase Domain of Human Suppressor of Variegation 3-9 Homolog 2 (SUV39H2) in Complex with OTS186935 Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:41.4
occ:1.00
 CL B:NM4501 0.0 41.4 1.0
C5 B:NM4501 1.7 45.6 1.0
C6 B:NM4501 2.7 47.1 1.0
C1 B:NM4501 2.7 45.4 1.0
O B:NM4501 2.9 46.4 1.0
CD1 B:LEU356 3.5 31.0 1.0
O B:SER326 3.9 41.9 1.0
CB B:SER326 3.9 42.5 1.0
CD2 B:LEU356 3.9 30.6 1.0
CB B:PHE370 4.0 42.0 1.0
C2 B:NM4501 4.0 46.4 1.0
C7 B:NM4501 4.0 47.8 1.0
CB B:VAL329 4.0 48.7 1.0
CD1 B:TYR280 4.1 43.7 1.0
CG1 B:VAL329 4.1 49.0 1.0
CG B:PHE370 4.2 42.1 1.0
C B:NM4501 4.3 46.3 1.0
CG2 B:VAL329 4.3 47.6 1.0
CD2 B:PHE370 4.4 42.1 1.0
CG B:LEU356 4.4 29.9 1.0
C3 B:NM4501 4.5 46.6 1.0
CE1 B:TYR280 4.5 43.6 1.0
CA B:SER326 4.5 43.1 1.0
C B:SER326 4.6 42.3 1.0
OG B:SER326 4.7 41.5 1.0
CD1 B:LEU337 4.7 38.2 1.0
CG B:TYR280 5.0 43.3 1.0

Reference:

L.Halabelian, A.Dong, H.Zeng, P.Loppnau, C.Bountra, A.M.Edwards, C.H.Arrowsmith, P.J.Brown, Structural Genomics Consortium (Sgc). Methyltransferase Domain of Human Suppressor of Variegation 3-9 Homolog 2 (SUV39H2) in Complex with OTS186935 Inhibitor To Be Published.
Page generated: Mon Jul 29 12:56:04 2024

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