Chlorine in PDB 4h12: The Crystal Structure of Methyltransferase Domain of Human Set Domain- Containing Protein 2 in Complex with S-Adenosyl-L-Homocysteine

Enzymatic activity of The Crystal Structure of Methyltransferase Domain of Human Set Domain- Containing Protein 2 in Complex with S-Adenosyl-L-Homocysteine

All present enzymatic activity of The Crystal Structure of Methyltransferase Domain of Human Set Domain- Containing Protein 2 in Complex with S-Adenosyl-L-Homocysteine:
2.1.1.43;

Protein crystallography data

The structure of The Crystal Structure of Methyltransferase Domain of Human Set Domain- Containing Protein 2 in Complex with S-Adenosyl-L-Homocysteine, PDB code: 4h12 was solved by M.F.Amaya, A.Dong, H.Zeng, F.Mackenzie, M.Bunnage, J.Weigelt, C.Bountra, C.H.Arrowsmith, A.M.Edwards, J.Min, H.Wu, Structural Genomics Consortium(Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	38.36 / 2.06
*Space group*	P 2₁ 2₁ 2₁
*Cell size a, b, c (Å), α, β, γ (°)*	52.293, 76.663, 78.093, 90.00, 90.00, 90.00
*R / R_free (%)*	20.7 / 24.9

Other elements in 4h12:

The structure of The Crystal Structure of Methyltransferase Domain of Human Set Domain- Containing Protein 2 in Complex with S-Adenosyl-L-Homocysteine also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of Methyltransferase Domain of Human Set Domain- Containing Protein 2 in Complex with S-Adenosyl-L-Homocysteine (pdb code 4h12). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the The Crystal Structure of Methyltransferase Domain of Human Set Domain- Containing Protein 2 in Complex with S-Adenosyl-L-Homocysteine, PDB code: 4h12:

Chlorine binding site 1 out of 1 in 4h12

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Chlorine Binding Sites List in 4h12

Chlorine binding site 1 out of 1 in the The Crystal Structure of Methyltransferase Domain of Human Set Domain- Containing Protein 2 in Complex with S-Adenosyl-L-Homocysteine

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Methyltransferase Domain of Human Set Domain- Containing Protein 2 in Complex with S-Adenosyl-L-Homocysteine within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl1805 b:44.9 occ:1.00	N	A:LYS1559	3.1	38.3	1.0
	O	A:HOH1943	3.2	44.1	1.0
	O	A:HOH1973	3.2	48.5	1.0
	N	A:GLU1558	3.6	37.1	1.0
	CE	A:LYS1560	3.6	36.1	1.0
	CB	A:LYS1559	3.7	41.4	1.0
	CB	A:GLU1558	3.8	40.8	1.0
	CA	A:LYS1559	3.8	41.0	1.0
	N	A:LYS1560	3.9	37.8	1.0
	CG	A:LYS1560	3.9	33.7	1.0
	CA	A:GLU1558	3.9	39.4	1.0
	CB	A:THR1557	4.0	33.6	1.0
	OG1	A:THR1557	4.0	31.9	1.0
	C	A:GLU1558	4.0	38.2	1.0
	CD	A:LYS1560	4.1	33.0	1.0
	CG	A:LYS1559	4.2	44.4	1.0
	NZ	A:LYS1560	4.2	36.0	1.0
	C	A:LYS1559	4.3	39.6	1.0
	C	A:THR1557	4.4	35.6	1.0
	CB	A:LYS1560	4.5	32.5	1.0
	O	A:PHE1679	4.6	36.6	1.0
	CB	A:PHE1679	4.7	35.6	1.0
	CA	A:THR1557	4.8	34.8	1.0
	CD	A:LYS1559	4.8	45.0	1.0
	CA	A:LYS1560	4.8	34.8	1.0
	CG	A:GLU1558	4.9	44.4	1.0

Reference:

W.Zheng, G.Ibanez, H.Wu, G.Blum, H.Zeng, A.Dong, F.Li, T.Hajian, A.Allali-Hassani, M.F.Amaya, A.Siarheyeva, W.Yu, P.J.Brown, M.Schapira, M.Vedadi, J.Min, M.Luo. Sinefungin Derivatives As Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2. J.Am.Chem.Soc. V. 134 18004 2012.
ISSN: ISSN 0002-7863
PubMed: 23043551
DOI: 10.1021/JA307060P

Page generated: Sun Jul 21 15:12:25 2024

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