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
Go back to
Zinc Binding Sites List in 5lt6
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
Go back to
Zinc Binding Sites List in 5lt6
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
Go back to
Zinc Binding Sites List in 5lt6
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
Go back to
Zinc Binding Sites List in 5lt6
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
Go back to
Zinc Binding Sites List in 5lt6
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
Go back to
Zinc Binding Sites List in 5lt6
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
|