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Zinc in PDB 5lt6: 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: 5lt6 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) 61.86 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.360, 72.700, 61.860, 90.00, 89.77, 90.00
R / Rfree (%) 17.9 / 23.1

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 5lt6). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Structure of the Epigenetic Oncogene Mmset and Inhibition By N-Alkyl Sinefungin Derivatives, PDB code: 5lt6:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in 5lt6

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Zinc binding site 1 out of 6 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:42.3
occ:1.00
 SG A:CYS1631 2.2 44.6 1.0
SG A:CYS1678 2.3 44.0 1.0
SG A:CYS1680 2.4 36.6 1.0
SG A:CYS1685 2.4 50.8 1.0
CB A:CYS1685 3.2 47.9 1.0
CB A:CYS1680 3.4 32.7 1.0
CB A:CYS1678 3.4 43.4 1.0
CB A:CYS1631 3.4 39.6 1.0
CA A:CYS1685 3.6 47.4 1.0
N A:CYS1631 4.0 35.3 1.0
N A:ARG1686 4.0 51.8 1.0
O A:HOH1979 4.0 42.1 1.0
N A:CYS1680 4.1 35.8 1.0
CA A:CYS1680 4.2 35.5 1.0
C A:CYS1685 4.3 55.2 1.0
CA A:CYS1631 4.3 38.6 1.0
NE2 A:HIS1629 4.4 35.5 1.0
CD2 A:HIS1629 4.5 35.9 1.0
O A:CYS1678 4.5 44.0 1.0
C A:CYS1678 4.6 45.6 1.0
CA A:CYS1678 4.6 44.8 1.0
N A:GLY1687 4.6 56.3 1.0
H64 A:76J1805 4.6 34.2 1.0
N A:GLY1681 4.8 41.3 1.0
N A:CYS1685 4.8 46.4 1.0
C A:CYS1680 4.9 43.4 1.0
C A:SER1630 4.9 34.6 1.0

Zinc binding site 2 out of 6 in 5lt6

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Zinc binding site 2 out of 6 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:52.1
occ:1.00
 SG A:CYS1516 2.2 56.5 1.0
SG A:CYS1539 2.4 52.4 1.0
SG A:CYS1529 2.5 50.4 1.0
SG A:CYS1533 2.5 70.6 1.0
CB A:CYS1516 3.1 51.1 1.0
CB A:CYS1529 3.1 46.6 1.0
CB A:CYS1539 3.4 49.7 1.0
CB A:CYS1533 3.7 66.8 1.0
ZN A:ZN1803 3.9 51.9 1.0
S A:SCN1804 4.1 75.0 1.0
SG A:CYS1499 4.3 66.3 1.0
CB A:ASN1541 4.4 40.1 1.0
CA A:CYS1539 4.4 50.0 1.0
CA A:CYS1516 4.5 52.2 1.0
CA A:CYS1529 4.6 45.9 1.0
SG A:CYS1520 4.7 52.0 1.0
CB A:ASN1535 4.7 65.7 1.0
N A:ASN1541 5.0 45.0 1.0
CA A:CYS1533 5.0 69.3 1.0
ND2 A:ASN1541 5.0 39.7 1.0

Zinc binding site 3 out of 6 in 5lt6

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Zinc binding site 3 out of 6 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:51.9
occ:1.00
 SG A:CYS1520 2.2 52.0 1.0
SG A:CYS1499 2.4 66.3 1.0
SG A:CYS1501 2.4 63.8 1.0
SG A:CYS1516 2.6 56.5 1.0
CB A:CYS1499 3.0 62.2 1.0
CB A:CYS1520 3.1 48.2 1.0
CB A:CYS1501 3.1 62.9 1.0
CB A:CYS1516 3.3 51.1 1.0
CA A:CYS1516 3.7 52.2 1.0
CA A:CYS1520 3.8 49.2 1.0
ZN A:ZN1802 3.9 52.1 1.0
O B:HOH1929 4.0 45.6 1.0
SG A:CYS1529 4.2 50.4 1.0
CA A:CYS1501 4.3 65.4 1.0
N A:CYS1501 4.4 65.0 1.0
CA A:CYS1499 4.5 63.8 1.0
N A:CYS1516 4.6 53.8 1.0
C A:CYS1520 4.7 53.3 1.0
N A:LEU1521 4.7 53.1 1.0
C A:CYS1516 4.8 55.6 1.0
N A:CYS1520 4.9 52.1 1.0
O A:HOH1923 5.0 71.9 1.0
C A:CYS1499 5.0 66.8 1.0

Zinc binding site 4 out of 6 in 5lt6

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Zinc binding site 4 out of 6 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 4 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
B:Zn1801

b:52.0
occ:1.00
 SG B:CYS1520 2.3 49.9 1.0
SG B:CYS1499 2.3 67.7 1.0
SG B:CYS1501 2.5 65.2 1.0
SG B:CYS1516 2.5 57.0 1.0
CB B:CYS1499 3.0 63.7 1.0
CB B:CYS1501 3.1 63.3 1.0
CB B:CYS1520 3.2 47.5 1.0
CB B:CYS1516 3.3 52.6 1.0
CA B:CYS1516 3.7 55.4 1.0
CA B:CYS1520 3.8 49.7 1.0
ZN B:ZN1802 3.9 54.3 1.0
O B:HOH1953 4.0 46.5 1.0
SG B:CYS1529 4.2 51.3 1.0
CA B:CYS1501 4.3 65.2 1.0
N B:CYS1501 4.3 64.2 1.0
CA B:CYS1499 4.5 65.9 1.0
N B:CYS1516 4.5 59.6 1.0
S B:SCN1804 4.6 67.7 1.0
C B:CYS1520 4.7 54.7 1.0
C B:CYS1516 4.8 59.9 1.0
N B:LEU1521 4.8 53.2 1.0
C B:CYS1499 5.0 69.6 1.0
N B:CYS1520 5.0 51.5 1.0
ND2 B:ASN1535 5.0 72.0 1.0

Zinc binding site 5 out of 6 in 5lt6

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Zinc binding site 5 out of 6 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 5 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
B:Zn1802

b:54.3
occ:1.00
 SG B:CYS1516 2.1 57.0 1.0
SG B:CYS1539 2.4 50.8 1.0
SG B:CYS1529 2.4 51.3 1.0
SG B:CYS1533 2.5 69.4 1.0
CB B:CYS1529 3.1 48.1 1.0
CB B:CYS1516 3.2 52.6 1.0
CB B:CYS1539 3.5 50.4 1.0
CB B:CYS1533 3.7 66.1 1.0
S B:SCN1804 3.7 67.7 1.0
ZN B:ZN1801 3.9 52.0 1.0
SG B:CYS1499 4.2 67.7 1.0
CB B:ASN1541 4.4 47.4 1.0
CA B:CYS1539 4.5 52.4 1.0
CA B:CYS1529 4.6 47.4 1.0
CA B:CYS1516 4.6 55.4 1.0
SG B:CYS1520 4.7 49.9 1.0
CB B:ASN1535 4.7 64.5 1.0
CA B:CYS1533 5.0 69.0 1.0
ND2 B:ASN1541 5.0 33.7 1.0
N B:ASN1541 5.0 49.4 1.0

Zinc binding site 6 out of 6 in 5lt6

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Zinc binding site 6 out of 6 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 6 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
B:Zn1803

b:65.0
occ:1.00
 SG B:CYS1678 2.2 70.2 1.0
SG B:CYS1631 2.4 63.0 1.0
SG B:CYS1680 2.5 73.8 1.0
SG B:CYS1685 2.8 80.7 1.0
CB B:CYS1678 3.3 69.3 1.0
CB B:CYS1680 3.3 67.5 1.0
CB B:CYS1631 3.5 59.2 1.0
CB B:CYS1685 3.6 77.9 1.0
CA B:CYS1685 3.6 76.6 1.0
N B:ARG1686 4.0 76.2 1.0
N B:CYS1631 4.0 56.1 1.0
N B:CYS1680 4.1 68.9 1.0
O B:CYS1678 4.2 75.5 1.0
C B:CYS1685 4.3 80.1 1.0
CA B:CYS1680 4.3 67.7 1.0
CA B:CYS1631 4.3 57.7 1.0
C B:CYS1678 4.3 74.7 1.0
CD2 B:HIS1629 4.4 52.3 1.0
CA B:CYS1678 4.4 70.5 1.0
NE2 B:HIS1629 4.5 52.9 1.0
N B:GLY1687 4.8 80.4 1.0
H64 B:76J1805 4.8 46.4 0.8
OG B:SER1682 4.8 84.9 1.0
N B:CYS1685 4.8 77.8 1.0
C B:SER1630 4.9 57.6 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: Sun Oct 27 21:27:19 2024

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