Zinc in PDB 5lt7: Structure of the Epigenetic Oncogene Mmset and Inhibition By N-Alkyl Sinefungin Derivatives

All present enzymatic activity of Structure of the Epigenetic Oncogene Mmset and Inhibition By N-Alkyl Sinefungin Derivatives:
2.1.1.43;

The structure of Structure of the Epigenetic Oncogene Mmset and Inhibition By N-Alkyl Sinefungin Derivatives, PDB code: 5lt7 was solved by D.Tisi, P.Pathuri, T.Heightman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.33 / 1.51
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.229, 61.788, 77.576, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 19.2

The binding sites of Zinc atom in the Structure of the Epigenetic Oncogene Mmset and Inhibition By N-Alkyl Sinefungin Derivatives (pdb code 5lt7). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Structure of the Epigenetic Oncogene Mmset and Inhibition By N-Alkyl Sinefungin Derivatives, PDB code: 5lt7:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Structure of the Epigenetic Oncogene Mmset and Inhibition By N-Alkyl Sinefungin Derivatives


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the Epigenetic Oncogene Mmset and Inhibition By N-Alkyl Sinefungin Derivatives within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1801 b:14.8 occ:1.00 SG A:CYS1499 2.3 17.7 1.0 SG A:CYS1520 2.4 13.8 1.0 SG A:CYS1516 2.4 14.0 1.0 SG A:CYS1501 2.4 17.4 1.0 CB A:CYS1499 3.1 15.4 1.0 CB A:CYS1520 3.2 13.0 1.0 CB A:CYS1501 3.2 16.7 1.0 CB A:CYS1516 3.3 13.1 1.0 S A:SCN1804 3.7 31.4 1.0 CA A:CYS1516 3.8 13.1 1.0 ZN A:ZN1802 3.8 14.2 1.0 CA A:CYS1520 4.0 13.8 1.0 O A:HOH2103 4.1 18.5 1.0 SG A:CYS1529 4.1 13.6 1.0 N A:CYS1501 4.3 19.0 1.0 CA A:CYS1501 4.4 17.5 1.0 CA A:CYS1499 4.6 17.8 1.0 N A:CYS1516 4.6 15.0 1.0 C A:CYS1520 4.7 12.7 1.0 N A:LEU1521 4.7 13.3 1.0 SG A:CYS1533 4.8 16.9 1.0 C A:CYS1516 4.8 14.6 1.0 C A:SCN1804 4.9 19.3 1.0 N A:GLU1500 4.9 20.9 1.0 C A:CYS1499 5.0 23.7 1.0

Zinc binding site 2 out of 3 in the Structure of the Epigenetic Oncogene Mmset and Inhibition By N-Alkyl Sinefungin Derivatives


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of the Epigenetic Oncogene Mmset and Inhibition By N-Alkyl Sinefungin Derivatives within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1802 b:14.2 occ:1.00 SG A:CYS1539 2.3 14.5 1.0 SG A:CYS1533 2.3 16.9 1.0 SG A:CYS1516 2.4 14.0 1.0 SG A:CYS1529 2.4 13.6 1.0 S A:SCN1804 2.7 31.4 1.0 CB A:CYS1529 3.1 12.0 1.0 CB A:CYS1516 3.3 13.1 1.0 CB A:CYS1539 3.3 13.3 1.0 CB A:CYS1533 3.4 16.1 1.0 ZN A:ZN1801 3.8 14.8 1.0 CA A:CYS1539 4.3 13.2 1.0 C A:SCN1804 4.3 19.3 1.0 SG A:CYS1499 4.4 17.7 1.0 CB A:ASN1541 4.5 10.4 1.0 CA A:CYS1529 4.6 10.6 1.0 CA A:CYS1533 4.6 17.3 1.0 CA A:CYS1516 4.7 13.1 1.0 SG A:CYS1520 4.8 13.8 1.0 CB A:ASN1535 4.9 20.2 1.0 N A:ASN1541 5.0 11.3 1.0

Zinc binding site 3 out of 3 in the Structure of the Epigenetic Oncogene Mmset and Inhibition By N-Alkyl Sinefungin Derivatives


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of the Epigenetic Oncogene Mmset and Inhibition By N-Alkyl Sinefungin Derivatives within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1803 b:11.2 occ:1.00 SG A:CYS1678 2.3 10.1 1.0 SG A:CYS1685 2.3 12.2 1.0 SG A:CYS1680 2.4 11.0 1.0 SG A:CYS1631 2.4 12.4 1.0 CB A:CYS1685 3.3 11.2 1.0 CB A:CYS1678 3.4 9.7 1.0 CB A:CYS1631 3.4 10.5 1.0 CB A:CYS1680 3.4 9.9 1.0 CA A:CYS1685 3.7 13.4 1.0 O A:HOH1988 3.8 33.0 1.0 N A:CYS1631 3.9 9.4 1.0 N A:CYS1680 4.1 10.1 1.0 N A:ARG1686 4.1 17.4 1.0 O A:HOH2043 4.2 15.2 1.0 CA A:CYS1680 4.3 9.1 1.0 CA A:CYS1631 4.3 9.1 1.0 C A:CYS1685 4.4 16.2 1.0 H59 A:76L1806 4.5 16.9 1.0 OG A:SER1682 4.5 13.7 0.5 CA A:CYS1678 4.6 9.5 1.0 C A:CYS1678 4.6 10.9 1.0 O A:CYS1678 4.7 11.3 1.0 N A:GLY1687 4.7 15.7 1.0 CD2 A:HIS1629 4.8 11.6 1.0 NE2 A:HIS1629 4.8 12.7 1.0 N A:GLY1681 4.9 10.4 1.0 C A:CYS1680 4.9 11.7 1.0 N A:CYS1685 4.9 14.8 1.0 C A:SER1630 5.0 10.5 1.0

D.Tisi, E.Chiarparin, E.Tamanini, P.Pathuri, J.E.Coyle, A.Hold, F.P.Holding, N.Amin, A.C.Martin, S.J.Rich, V.Berdini, J.Yon, P.Acklam, R.Burke, L.Drouin, J.E.Harmer, F.Jeganathan, R.L.Van Montfort, Y.Newbatt, M.Tortorici, M.Westlake, A.Wood, S.Hoelder, T.D.Heightman. Structure of the Epigenetic Oncogene Mmset and Inhibition By N-Alkyl Sinefungin Derivatives. Acs Chem. Biol. V. 11 3093 2016.
ISSN: ESSN 1554-8937
PubMed: 27571355
DOI: 10.1021/ACSCHEMBIO.6B00308