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Chlorine in PDB 5ttf: Crystal Structure of Catalytic Domain of G9A with MS012

Enzymatic activity of Crystal Structure of Catalytic Domain of G9A with MS012

All present enzymatic activity of Crystal Structure of Catalytic Domain of G9A with MS012:
2.1.1.43;

Protein crystallography data

The structure of Crystal Structure of Catalytic Domain of G9A with MS012, PDB code: 5ttf was solved by A.Dong, H.Zeng, J.Liu, Y.Xiong, N.Babault, J.Jin, W.Tempel, C.Bountra, C.H.Arrowsmith, A.M.Edwards, H.Wu, P.J.Brown, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.01 / 1.72
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 56.846, 67.749, 77.845, 92.09, 90.05, 91.80
R / Rfree (%) 20.7 / 24.7

Other elements in 5ttf:

The structure of Crystal Structure of Catalytic Domain of G9A with MS012 also contains other interesting chemical elements:

Zinc (Zn) 16 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Catalytic Domain of G9A with MS012 (pdb code 5ttf). 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 Crystal Structure of Catalytic Domain of G9A with MS012, PDB code: 5ttf:

Chlorine binding site 1 out of 1 in 5ttf

Go back to Chlorine Binding Sites List in 5ttf
Chlorine binding site 1 out of 1 in the Crystal Structure of Catalytic Domain of G9A with MS012


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 Catalytic Domain of G9A with MS012 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1507

b:28.1
occ:1.00
NH1 D:ARG1039 3.0 22.8 0.5
NH1 A:ARG1132 3.2 24.6 1.0
ND2 A:ASN963 3.2 27.1 1.0
O A:HOH1730 3.3 28.0 1.0
CG D:PRO936 3.8 23.6 1.0
NH2 A:ARG1132 3.8 22.8 1.0
CZ A:ARG1132 3.9 23.7 1.0
CB A:ASN963 4.0 25.0 1.0
CD D:PRO936 4.0 23.8 1.0
CG A:ASN963 4.1 27.4 1.0
CG D:PRO934 4.1 27.6 1.0
NH1 D:ARG1039 4.2 31.2 0.5
CZ D:ARG1039 4.2 22.9 0.5
O A:HOH1636 4.2 35.3 1.0
CB D:PRO936 4.4 22.6 1.0
O A:ASN963 4.4 21.9 1.0
CB D:PRO934 4.5 26.6 1.0
O A:MET962 4.6 24.0 1.0
NH2 D:ARG1039 4.6 23.9 0.5
O D:HOH1717 4.8 26.1 1.0
O D:ARG924 4.9 19.8 1.0
O D:PRO934 4.9 24.8 1.0

Reference:

Y.Xiong, F.Li, N.Babault, A.Dong, H.Zeng, H.Wu, X.Chen, C.H.Arrowsmith, P.J.Brown, J.Liu, M.Vedadi, J.Jin. Discovery of Potent and Selective Inhibitors For G9A-Like Protein (Glp) Lysine Methyltransferase. J. Med. Chem. V. 60 1876 2017.
ISSN: ISSN 1520-4804
PubMed: 28135087
DOI: 10.1021/ACS.JMEDCHEM.6B01645
Page generated: Sat Dec 12 12:29:23 2020

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