Chlorine in PDB 4v2w: JMJD2A Complexed with Ni(II), Nog and Histone H3K27ME3 Peptide (16-35)

The structure of JMJD2A Complexed with Ni(II), Nog and Histone H3K27ME3 Peptide (16-35), PDB code: 4v2w was solved by R.Chowdhury, D.Zafred, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.072 / 1.81
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	100.711, 149.740, 57.508, 90.00, 90.00, 90.00
R / Rfree (%)	17.24 / 20.82

The structure of JMJD2A Complexed with Ni(II), Nog and Histone H3K27ME3 Peptide (16-35) also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the JMJD2A Complexed with Ni(II), Nog and Histone H3K27ME3 Peptide (16-35) (pdb code 4v2w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the JMJD2A Complexed with Ni(II), Nog and Histone H3K27ME3 Peptide (16-35), PDB code: 4v2w:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the JMJD2A Complexed with Ni(II), Nog and Histone H3K27ME3 Peptide (16-35)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of JMJD2A Complexed with Ni(II), Nog and Histone H3K27ME3 Peptide (16-35) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:70.6 occ:1.00 H A:GLY229 2.6 60.3 1.0 H A:SER230 2.7 56.9 1.0 HA A:PHE227 2.9 49.6 1.0 HA3 A:GLY229 3.2 63.1 1.0 N A:GLY229 3.2 50.3 1.0 HB3 A:PHE227 3.4 48.5 1.0 C A:PHE227 3.5 44.3 1.0 HD2 A:PRO228 3.5 58.6 1.0 CA A:PHE227 3.5 41.3 1.0 N A:SER230 3.5 47.4 1.0 HD1 A:PHE227 3.6 53.9 1.0 CA A:GLY229 3.6 52.5 1.0 N A:PRO228 3.7 46.6 1.0 O A:PHE227 3.8 44.0 1.0 OG A:SER230 3.9 44.7 1.0 CB A:PHE227 3.9 40.5 1.0 HG2 A:PRO228 4.0 62.2 1.0 CD A:PRO228 4.0 48.8 1.0 C A:GLY229 4.1 50.9 1.0 HG A:SER230 4.2 53.6 1.0 C A:PRO228 4.2 49.5 1.0 CD1 A:PHE227 4.4 44.9 1.0 HB2 A:SER230 4.4 51.7 1.0 HA2 A:GLY229 4.5 63.1 1.0 CG A:PRO228 4.5 51.8 1.0 CB A:SER230 4.5 43.1 1.0 CA A:PRO228 4.5 48.8 1.0 CA A:SER230 4.6 45.8 1.0 CG A:PHE227 4.7 42.9 1.0 HB2 A:PHE227 4.7 48.5 1.0 O A:PHE226 4.8 49.8 1.0 N A:PHE227 4.8 42.5 1.0 HD3 A:PRO228 4.9 58.6 1.0

Chlorine binding site 2 out of 2 in the JMJD2A Complexed with Ni(II), Nog and Histone H3K27ME3 Peptide (16-35)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of JMJD2A Complexed with Ni(II), Nog and Histone H3K27ME3 Peptide (16-35) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:61.3 occ:1.00 H B:GLY229 2.6 52.3 1.0 HA B:PHE227 3.0 42.9 1.0 H B:SER230 3.0 46.3 1.0 HA3 B:GLY229 3.1 56.4 1.0 N B:GLY229 3.2 43.6 1.0 HD2 B:PRO228 3.4 47.8 1.0 HB3 B:PHE227 3.6 39.4 1.0 C B:PHE227 3.6 38.1 1.0 CA B:GLY229 3.6 47.0 1.0 CA B:PHE227 3.6 35.8 1.0 N B:PRO228 3.7 39.4 1.0 N B:SER230 3.7 38.6 1.0 HD1 B:PHE227 3.9 46.9 1.0 CD B:PRO228 4.0 39.8 1.0 O B:PHE227 4.1 39.5 1.0 CB B:PHE227 4.1 32.9 1.0 HG2 B:PRO228 4.1 52.2 1.0 OG B:SER230 4.1 39.8 1.0 C B:GLY229 4.2 43.1 1.0 C B:PRO228 4.3 43.7 1.0 HG B:SER230 4.4 47.7 1.0 HA2 B:GLY229 4.5 56.4 1.0 CG B:PRO228 4.6 43.5 1.0 CA B:PRO228 4.6 41.5 1.0 CD1 B:PHE227 4.7 39.0 1.0 HB2 B:SER230 4.7 46.1 1.0 HD3 B:PRO228 4.8 47.8 1.0 CB B:SER230 4.8 38.5 1.0 CA B:SER230 4.9 38.3 1.0 O B:PHE226 4.9 41.7 1.0 HB2 B:PHE227 4.9 39.4 1.0 CG B:PHE227 4.9 33.0 1.0 N B:PHE227 4.9 34.8 1.0

S.T.Williams, L.J.Walport, R.J.Hopkinson, S.K.Madden, R.Chowdhury, C.J.Schofield, A.Kawamura. Studies on the Catalytic Domains of Multiple Jmjc Oxygenases Using Peptide Substrates To Be Published.