Zinc in PDB 9g4a: Structure of Human SETD2 T1663M Mutant in Complex with Sam and H3K36M Peptide

All present enzymatic activity of Structure of Human SETD2 T1663M Mutant in Complex with Sam and H3K36M Peptide:
2.1.1.359;

The structure of Structure of Human SETD2 T1663M Mutant in Complex with Sam and H3K36M Peptide, PDB code: 9g4a was solved by A.E.Mechaly, C.Michail, A.Haouz, F.Rodrigues-Lima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.50 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.835, 76.633, 77.055, 90, 90, 90
R / Rfree (%)	19.7 / 24.1

The binding sites of Zinc atom in the Structure of Human SETD2 T1663M Mutant in Complex with Sam and H3K36M Peptide (pdb code 9g4a). 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 Human SETD2 T1663M Mutant in Complex with Sam and H3K36M Peptide, PDB code: 9g4a:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Structure of Human SETD2 T1663M Mutant in Complex with Sam and H3K36M Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Human SETD2 T1663M Mutant in Complex with Sam and H3K36M Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1801 b:33.6 occ:1.00 SG A:CYS1501 2.4 41.0 1.0 SG A:CYS1499 2.4 38.4 1.0 SG A:CYS1516 2.4 34.0 1.0 SG A:CYS1520 2.5 31.8 1.0 CB A:CYS1520 3.2 32.7 1.0 CB A:CYS1501 3.2 44.3 1.0 CB A:CYS1516 3.3 32.5 1.0 CB A:CYS1499 3.3 44.4 1.0 CA A:CYS1516 3.7 32.8 1.0 ZN A:ZN1802 3.9 29.3 1.0 CA A:CYS1520 3.9 34.3 1.0 N A:CYS1501 4.2 46.5 1.0 SG A:CYS1529 4.3 29.0 1.0 CA A:CYS1501 4.3 46.2 1.0 N A:CYS1516 4.6 33.2 1.0 O A:HOH2074 4.6 35.8 1.0 C A:CYS1520 4.7 34.8 1.0 N A:LEU1521 4.7 34.8 1.0 CA A:CYS1499 4.7 46.3 1.0 C A:CYS1516 4.8 33.2 1.0 N A:GLU1500 4.8 46.6 1.0 SG A:CYS1533 5.0 32.2 1.0

Zinc binding site 2 out of 3 in the Structure of Human SETD2 T1663M Mutant in Complex with Sam and H3K36M Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Human SETD2 T1663M Mutant in Complex with Sam and H3K36M Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1802 b:29.3 occ:1.00 SG A:CYS1516 2.3 34.0 1.0 SG A:CYS1533 2.3 32.2 1.0 SG A:CYS1539 2.4 28.8 1.0 SG A:CYS1529 2.4 29.0 1.0 CB A:CYS1529 3.0 24.6 1.0 CB A:CYS1516 3.2 32.5 1.0 CB A:CYS1539 3.3 28.0 1.0 CB A:CYS1533 3.5 32.3 1.0 ZN A:ZN1801 3.9 33.6 1.0 O A:HOH2033 4.1 18.9 1.0 SG A:CYS1499 4.2 38.4 1.0 CA A:CYS1539 4.3 29.0 1.0 CB A:ASN1541 4.4 24.9 1.0 CA A:CYS1529 4.5 24.7 1.0 CA A:CYS1516 4.7 32.8 1.0 CA A:CYS1533 4.7 32.8 1.0 SG A:CYS1520 4.8 31.8 1.0 CB A:ASN1535 4.9 36.7 1.0 N A:ASN1541 5.0 24.8 1.0

Zinc binding site 3 out of 3 in the Structure of Human SETD2 T1663M Mutant in Complex with Sam and H3K36M Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Human SETD2 T1663M Mutant in Complex with Sam and H3K36M Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1803 b:33.7 occ:1.00 SG A:CYS1678 2.2 28.3 1.0 SG A:CYS1680 2.4 37.0 1.0 SG A:CYS1685 2.4 37.1 1.0 SG A:CYS1631 2.5 33.1 1.0 CB A:CYS1685 3.3 42.8 1.0 CB A:CYS1678 3.4 27.6 1.0 CB A:CYS1680 3.5 34.7 1.0 CB A:CYS1631 3.6 33.0 1.0 CA A:CYS1685 3.7 44.5 1.0 N A:ARG1686 4.0 41.9 1.0 N A:CYS1631 4.1 32.5 1.0 OG A:SER1682 4.1 54.1 1.0 N A:CYS1680 4.1 33.3 1.0 O A:HOH1966 4.3 33.5 1.0 NE2 A:HIS1629 4.3 27.2 1.0 CA A:CYS1680 4.3 35.2 1.0 C A:CYS1685 4.3 42.9 1.0 CD2 A:HIS1629 4.4 26.4 1.0 CA A:CYS1631 4.4 33.8 1.0 CA A:CYS1678 4.6 28.1 1.0 O A:CYS1678 4.6 28.1 1.0 C A:CYS1678 4.6 28.6 1.0 N A:GLY1687 4.7 38.0 1.0 N A:GLY1681 4.8 39.3 1.0 N A:CYS1685 4.9 47.3 1.0 C A:CYS1680 5.0 37.9 1.0

A.E.Mechaly, C.Michail, A.Haouz, F.Rodrigues-Lima. Structure of Human SETD2 T1663M Mutant in Complex with Sam and H3K36M Peptide To Be Published.