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Manganese in PDB 5gtc: Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle

Protein crystallography data

The structure of Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle, PDB code: 5gtc was solved by Y.Arimura, D.Kato, H.Suto, H.Kurumizaka, S.A.Kawashima, K.Yamatsugu, M.Kanai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.59 / 2.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 107.225, 109.017, 176.194, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 26.7

Other elements in 5gtc:

The structure of Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle (pdb code 5gtc). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle, PDB code: 5gtc:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6;

Manganese binding site 1 out of 6 in 5gtc

Go back to Manganese Binding Sites List in 5gtc
Manganese binding site 1 out of 6 in the Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn1002

b:54.2
occ:1.00
OD1 E:ASP77 2.2 45.7 1.0
CG E:ASP77 3.2 47.3 1.0
OD2 E:ASP77 3.6 50.2 1.0
NE2 E:GLN76 4.3 60.4 1.0
O F:LEU22 4.4 47.8 1.0
CB E:ASP77 4.6 38.6 1.0
N E:ASP77 4.7 40.7 1.0
CG E:GLU73 4.8 44.0 1.0
CA E:ASP77 4.8 37.9 1.0
O E:GLU73 4.8 54.6 1.0

Manganese binding site 2 out of 6 in 5gtc

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Manganese binding site 2 out of 6 in the Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn2001

b:0.6
occ:1.00
N7 I:DG121 2.3 0.2 1.0
C8 I:DG121 3.2 0.7 1.0
C5 I:DG121 3.5 0.0 1.0
O6 I:DG122 3.7 0.7 1.0
O6 I:DG121 3.8 0.2 1.0
C6 I:DG121 4.0 0.8 1.0
C2' I:DT120 4.1 97.6 1.0
N4 J:DC171 4.4 0.7 1.0
C6 I:DT120 4.4 0.8 1.0
N9 I:DG121 4.5 0.2 1.0
C4 I:DG121 4.6 0.5 1.0
C6 I:DG122 4.8 0.4 1.0
C5 I:DT120 4.8 0.7 1.0
N1 I:DT120 4.8 0.2 1.0

Manganese binding site 3 out of 6 in 5gtc

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Manganese binding site 3 out of 6 in the Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn2002

b:0.0
occ:1.00
N7 I:DA133 2.5 0.5 1.0
N6 I:DA133 3.0 0.1 1.0
C5 I:DA133 3.3 0.8 1.0
C5 I:DC132 3.5 0.7 1.0
C6 I:DA133 3.6 0.6 1.0
C8 I:DA133 3.6 0.6 1.0
C6 I:DC132 3.6 0.7 1.0
O6 I:DG134 4.2 0.5 1.0
C4 I:DA133 4.6 0.3 1.0
C4 I:DC132 4.7 0.8 1.0
N9 I:DA133 4.7 0.4 1.0
OP2 I:DC132 4.7 0.1 1.0
N1 I:DC132 4.8 0.9 1.0
C2' I:DC132 4.9 0.7 1.0
N7 I:DG134 4.9 0.2 1.0
N1 I:DA133 4.9 0.6 1.0

Manganese binding site 4 out of 6 in 5gtc

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Manganese binding site 4 out of 6 in the Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn2001

b:0.3
occ:1.00
N7 J:DG185 2.9 0.6 1.0
O6 J:DG186 3.1 0.1 1.0
C8 J:DG185 3.3 0.6 1.0
OP2 J:DG185 3.9 0.9 1.0
C6 J:DG186 3.9 0.1 1.0
C5 J:DG185 4.0 0.1 1.0
N7 J:DG186 4.4 0.8 1.0
N4 I:DC107 4.4 0.4 1.0
C5 J:DG186 4.5 0.9 1.0
N9 J:DG185 4.6 0.5 1.0
O6 J:DG185 4.6 0.8 1.0
C6 J:DG185 4.7 1.0 1.0
C4 J:DG185 4.9 0.7 1.0
N1 J:DG186 5.0 0.1 1.0
C2' J:DT184 5.0 0.5 1.0

Manganese binding site 5 out of 6 in 5gtc

Go back to Manganese Binding Sites List in 5gtc
Manganese binding site 5 out of 6 in the Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn2002

b:0.4
occ:1.00
N7 J:DG217 1.6 81.8 1.0
C8 J:DG217 2.5 79.5 1.0
C5 J:DG217 2.7 83.1 1.0
N6 J:DA218 3.3 89.8 1.0
C6 J:DG217 3.3 88.2 1.0
O6 J:DG217 3.4 89.2 1.0
N9 J:DG217 3.6 80.3 1.0
C4 J:DG217 3.7 84.0 1.0
C2' J:DT216 4.1 74.9 1.0
C6 J:DA218 4.1 90.0 1.0
N7 J:DA218 4.1 87.2 1.0
OP2 J:DG217 4.2 63.4 1.0
C5 J:DA218 4.3 90.7 1.0
N1 J:DG217 4.6 94.6 1.0
C6 J:DT216 4.6 86.5 1.0
N1 J:DT216 4.8 80.4 1.0
C1' J:DT216 4.8 76.3 1.0
C1' J:DG217 4.9 74.4 1.0
N3 J:DG217 5.0 85.3 1.0

Manganese binding site 6 out of 6 in 5gtc

Go back to Manganese Binding Sites List in 5gtc
Manganese binding site 6 out of 6 in the Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure of Complex Between Dmap-Sh Conjugated with A Kaposi'S Sarcoma Herpesvirus Lana Peptide (5-15) and Nucleosome Core Particle within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn2003

b:95.0
occ:1.00
N7 J:DG280 2.9 0.4 1.0
C8 J:DG280 3.8 0.7 1.0
C5 J:DG280 3.9 0.9 1.0
O6 J:DG280 4.0 0.4 1.0
C8 J:DA279 4.0 94.0 1.0
N7 J:DA279 4.2 96.8 1.0
O6 J:DG281 4.3 0.8 1.0
C6 J:DG280 4.3 0.7 1.0
N9 J:DA279 5.0 95.1 1.0

Reference:

Y.Amamoto, Y.Aoi, N.Nagashima, H.Suto, D.Yoshidome, Y.Arimura, A.Osakabe, D.Kato, H.Kurumizaka, S.A.Kawashima, K.Yamatsugu, M.Kanai. Synthetic Posttranslational Modifications: Chemical Catalyst-Driven Regioselective Histone Acylation of Native Chromatin. J. Am. Chem. Soc. V. 139 7568 2017.
ISSN: ESSN 1520-5126
PubMed: 28534629
DOI: 10.1021/JACS.7B02138
Page generated: Sun Oct 6 00:23:05 2024

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