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

Enzymatic activity of 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;

Protein crystallography data

The structure of Structure of the Epigenetic Oncogene Mmset and Inhibition By N-Alkyl Sinefungin Derivatives, PDB code: 5lsx 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) 36.75 / 2.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.244, 77.305, 78.843, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 28

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of the Epigenetic Oncogene Mmset and Inhibition By N-Alkyl Sinefungin Derivatives (pdb code 5lsx). 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: 5lsx:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in 5lsx

Go back to Zinc Binding Sites List in 5lsx
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:0.4
occ:1.00
SG A:CYS1678 2.0 97.2 1.0
SG A:CYS1680 2.1 91.8 1.0
SG A:CYS1631 2.3 0.6 1.0
SG A:CYS1685 2.3 0.5 1.0
CB A:CYS1680 3.1 97.6 1.0
CB A:CYS1685 3.3 0.6 1.0
CB A:CYS1678 3.3 96.2 1.0
CB A:CYS1631 3.5 0.2 1.0
N A:CYS1680 3.8 0.6 1.0
N A:CYS1631 3.9 0.2 1.0
O A:HOH1903 3.9 91.2 1.0
CA A:CYS1680 4.0 0.2 1.0
CA A:CYS1685 4.2 0.7 1.0
CA A:CYS1631 4.4 0.5 1.0
CD2 A:HIS1629 4.4 0.8 1.0
NE2 A:HIS1629 4.4 0.1 1.0
C A:CYS1678 4.5 0.8 1.0
N A:ARG1686 4.5 0.2 1.0
CA A:CYS1678 4.5 95.7 1.0
C A:CYS1685 4.5 0.2 1.0
O A:CYS1678 4.5 92.5 1.0
N A:GLY1687 4.5 0.7 1.0
H47 A:76O1804 4.6 84.4 0.9
C A:CYS1680 4.7 0.9 1.0
N A:GLY1681 4.8 97.0 1.0
N A:PHE1679 4.9 0.7 1.0

Zinc binding site 2 out of 3 in 5lsx

Go back to Zinc Binding Sites List in 5lsx
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:0.5
occ:1.00
SG A:CYS1499 2.0 0.3 1.0
SG A:CYS1520 2.3 0.3 1.0
SG A:CYS1516 2.4 0.3 1.0
SG A:CYS1501 2.5 0.0 1.0
CB A:CYS1501 3.1 0.8 1.0
CB A:CYS1516 3.4 0.4 1.0
CB A:CYS1520 3.4 0.7 1.0
N A:CYS1501 3.6 0.1 1.0
CB A:CYS1499 3.7 0.9 1.0
ZN A:ZN1803 3.8 0.3 1.0
CA A:CYS1501 3.9 0.3 1.0
CA A:CYS1516 4.0 0.8 1.0
CA A:CYS1520 4.2 0.2 1.0
N A:GLU1500 4.3 0.5 1.0
SG A:CYS1529 4.3 0.4 1.0
CA A:CYS1499 4.6 0.6 1.0
C A:GLU1500 4.7 0.9 1.0
SG A:CYS1533 4.8 0.8 1.0
C A:CYS1499 4.9 0.4 1.0
C A:CYS1520 4.9 0.3 1.0
N A:CYS1516 4.9 0.5 1.0
N A:LEU1521 5.0 0.0 1.0

Zinc binding site 3 out of 3 in 5lsx

Go back to Zinc Binding Sites List in 5lsx
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:0.3
occ:1.00
SG A:CYS1529 2.1 0.4 1.0
SG A:CYS1533 2.2 0.8 1.0
SG A:CYS1516 2.4 0.3 1.0
SG A:CYS1539 2.5 0.1 1.0
CB A:CYS1529 3.3 96.3 1.0
CB A:CYS1516 3.3 0.4 1.0
CB A:CYS1539 3.5 0.5 1.0
CB A:CYS1533 3.7 0.6 1.0
ZN A:ZN1802 3.8 0.5 1.0
SG A:CYS1499 3.8 0.3 1.0
CB A:CYS1499 4.2 0.9 1.0
CA A:CYS1539 4.6 0.1 1.0
CA A:CYS1529 4.7 92.0 1.0
CA A:CYS1516 4.7 0.8 1.0
ND2 A:ASN1535 4.8 0.3 1.0
CB A:ASN1541 4.8 0.4 1.0
SG A:CYS1520 4.8 0.3 1.0

Reference:

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
Page generated: Wed Dec 16 06:30:43 2020

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