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Zinc in PDB 5lsu: 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: 5lsu 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) 49.81 / 2.14
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 94.583, 63.114, 81.094, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 23.8

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 5lsu). 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: 5lsu:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in 5lsu

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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:Zn1301

b:42.3
occ:1.00
 SG A:CYS1191 2.3 38.2 1.0
SG A:CYS1198 2.4 43.3 1.0
SG A:CYS1193 2.4 40.1 1.0
SG A:CYS1144 2.5 37.1 1.0
CB A:CYS1193 3.3 35.5 1.0
CB A:CYS1198 3.3 40.0 1.0
CB A:CYS1191 3.4 36.7 1.0
CB A:CYS1144 3.5 33.1 1.0
CA A:CYS1198 3.8 39.1 1.0
N A:CYS1193 3.9 38.6 1.0
N A:CYS1144 4.0 34.1 1.0
CA A:CYS1193 4.1 36.7 1.0
O B:HOH1529 4.2 31.2 1.0
NE2 A:HIS1142 4.3 30.7 1.0
CA A:CYS1144 4.4 32.3 1.0
CD2 A:HIS1142 4.4 30.9 1.0
HN62 A:SAM1304 4.5 30.2 0.9
N A:SER1199 4.6 43.2 1.0
C A:CYS1198 4.6 45.4 1.0
CA A:CYS1191 4.6 38.3 1.0
C A:CYS1191 4.7 42.0 1.0
N A:GLY1194 4.8 43.4 1.0
N A:GLY1200 4.8 47.0 1.0
C A:CYS1193 4.8 45.7 1.0
N A:ARG1192 4.9 39.2 1.0
O A:HOH1422 4.9 38.3 1.0
O A:CYS1191 5.0 41.4 1.0
N A:CYS1198 5.0 39.0 1.0

Zinc binding site 2 out of 6 in 5lsu

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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:Zn1302

b:54.5
occ:1.00
 SG A:CYS1032 2.1 50.3 1.0
SG A:CYS1018 2.3 55.4 1.0
SG A:CYS1016 2.5 55.3 1.0
SG A:CYS1026 2.6 55.4 1.0
CB A:CYS1016 3.1 50.4 1.0
CB A:CYS1032 3.1 48.8 1.0
CB A:CYS1018 3.2 55.6 1.0
CB A:CYS1026 3.3 49.5 1.0
CA A:CYS1026 3.6 50.9 1.0
CA A:CYS1032 3.7 51.5 1.0
ZN A:ZN1303 3.8 48.9 1.0
N A:CYS1026 4.0 53.7 1.0
O A:HOH1475 4.0 47.2 1.0
N A:CYS1018 4.2 59.5 1.0
SG A:CYS1041 4.3 38.5 1.0
CA A:CYS1018 4.3 59.1 1.0
CA A:CYS1016 4.6 51.4 1.0
C A:CYS1032 4.6 54.2 1.0
N A:LEU1033 4.7 53.2 1.0
N A:CYS1032 4.9 55.5 1.0
SG A:CYS1046 4.9 58.5 1.0

Zinc binding site 3 out of 6 in 5lsu

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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:Zn1303

b:48.9
occ:1.00
 SG A:CYS1026 2.2 55.4 1.0
SG A:CYS1041 2.3 38.5 1.0
SG A:CYS1046 2.4 58.5 1.0
SG A:CYS1052 2.4 51.2 1.0
CB A:CYS1041 3.0 35.7 1.0
CB A:CYS1026 3.1 49.5 1.0
CB A:CYS1052 3.4 51.1 1.0
CB A:CYS1046 3.4 53.5 1.0
ZN A:ZN1302 3.8 54.5 1.0
SG A:CYS1016 3.9 55.3 1.0
O A:HOH1535 4.1 48.3 1.0
CA A:CYS1052 4.2 53.3 1.0
CB A:ASN1054 4.4 43.8 1.0
CA A:CYS1041 4.5 35.5 1.0
CA A:CYS1026 4.5 50.9 1.0
CB A:ALA1048 4.6 62.6 1.0
SG A:CYS1032 4.7 50.3 1.0
CA A:CYS1046 4.7 54.6 1.0
N A:ASN1054 4.9 45.9 1.0
C A:CYS1052 4.9 55.4 1.0
ND2 A:ASN1054 5.0 45.7 1.0

Zinc binding site 4 out of 6 in 5lsu

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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:Zn1301

b:32.1
occ:1.00
 SG B:CYS1191 2.2 30.0 1.0
SG B:CYS1198 2.4 31.1 1.0
SG B:CYS1144 2.4 31.3 1.0
SG B:CYS1193 2.5 32.6 1.0
CB B:CYS1198 3.3 28.1 1.0
CB B:CYS1191 3.3 27.5 1.0
CB B:CYS1193 3.4 26.2 1.0
CB B:CYS1144 3.4 27.2 1.0
CA B:CYS1198 3.8 27.6 1.0
N B:CYS1144 4.0 28.1 1.0
N B:CYS1193 4.0 26.8 1.0
NE2 B:HIS1142 4.1 25.3 1.0
CA B:CYS1193 4.3 27.0 1.0
O B:HOH1485 4.3 31.2 1.0
CA B:CYS1144 4.3 27.5 1.0
CD2 B:HIS1142 4.4 26.3 1.0
HN62 B:SAM1304 4.4 26.5 1.0
N B:SER1199 4.5 33.6 1.0
C B:CYS1198 4.5 34.4 1.0
CA B:CYS1191 4.6 28.6 1.0
C B:CYS1191 4.7 33.3 1.0
N B:GLY1200 4.7 33.3 1.0
O B:HOH1437 4.8 38.7 1.0
O B:CYS1191 4.9 32.8 1.0
N B:CYS1198 4.9 29.3 1.0
N B:ARG1192 5.0 29.5 1.0
N B:GLY1194 5.0 32.6 1.0
C B:CYS1193 5.0 36.2 1.0

Zinc binding site 5 out of 6 in 5lsu

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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:Zn1302

b:81.6
occ:1.00
 SG B:CYS1016 2.2 89.7 1.0
SG B:CYS1032 2.3 73.9 1.0
SG B:CYS1018 2.5 97.0 1.0
SG B:CYS1026 2.7 94.0 1.0
CB B:CYS1016 2.9 84.2 1.0
CB B:CYS1018 3.2 97.6 1.0
CB B:CYS1032 3.4 71.4 1.0
CB B:CYS1026 3.7 86.7 1.0
ZN B:ZN1303 3.7 85.7 1.0
CA B:CYS1026 3.9 87.6 1.0
CA B:CYS1032 4.0 74.2 1.0
N B:CYS1018 4.2 94.5 1.0
CA B:CYS1018 4.3 0.4 1.0
N B:CYS1026 4.3 92.3 1.0
SG B:CYS1041 4.4 72.9 1.0
CA B:CYS1016 4.4 85.9 1.0
SG B:CYS1046 4.6 98.1 1.0
C B:CYS1032 4.8 71.6 1.0
N B:LEU1033 4.8 70.4 1.0
C B:CYS1016 4.9 96.0 1.0
N B:ASN1017 4.9 93.7 1.0

Zinc binding site 6 out of 6 in 5lsu

Go back to Zinc Binding Sites List in 5lsu
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:Zn1303

b:85.7
occ:1.00
 SG B:CYS1026 2.3 94.0 1.0
SG B:CYS1052 2.4 84.6 1.0
SG B:CYS1046 2.4 98.1 1.0
SG B:CYS1041 2.6 72.9 1.0
CB B:CYS1041 3.1 69.0 1.0
CB B:CYS1026 3.2 86.7 1.0
CB B:CYS1052 3.3 86.1 1.0
CB B:CYS1046 3.5 93.6 1.0
ZN B:ZN1302 3.7 81.6 1.0
SG B:CYS1016 4.0 89.7 1.0
CA B:CYS1052 4.2 87.7 1.0
CB B:ASN1054 4.3 65.2 1.0
CA B:CYS1041 4.6 66.0 1.0
CA B:CYS1026 4.6 87.6 1.0
CB B:ALA1048 4.6 98.9 1.0
SG B:CYS1032 4.7 73.9 1.0
O B:HOH1539 4.7 53.5 1.0
CA B:CYS1046 4.7 96.5 1.0
N B:ASN1054 4.8 71.9 1.0
ND2 B:ASN1054 4.9 52.0 1.0
C B:CYS1052 4.9 85.1 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 21:18:31 2024

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