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Manganese in PDB 5b32: The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3.

Protein crystallography data

The structure of The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3., PDB code: 5b32 was solved by N.Horikoshi, H.Taguchi, Y.Arimura, H.Kurumizaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.09 / 2.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 98.182, 105.823, 166.263, 90.00, 90.00, 90.00
R / Rfree (%) 22.7 / 25.9

Other elements in 5b32:

The structure of The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3. also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3. (pdb code 5b32). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 10 binding sites of Manganese where determined in the The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3., PDB code: 5b32:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 10 in 5b32

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Manganese binding site 1 out of 10 in the The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn301

b:55.5
occ:1.00
O C:HOH301 2.4 35.7 1.0
O D:VAL48 2.5 34.7 1.0
O D:HOH401 2.6 31.4 1.0
C D:VAL48 3.5 34.0 1.0
OE2 C:GLU64 3.7 54.2 1.0
CA D:VAL48 3.9 32.5 1.0
O D:GLN47 4.5 33.7 1.0
N D:HIS49 4.6 35.1 1.0
CD C:GLU64 4.7 49.1 1.0
CB D:VAL48 4.7 33.3 1.0

Manganese binding site 2 out of 10 in 5b32

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Manganese binding site 2 out of 10 in the The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3. within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn301

b:59.1
occ:1.00
O F:HOH201 2.3 45.9 1.0
O E:HOH416 2.7 41.9 1.0
OD1 E:ASP77 2.8 42.2 1.0
CG E:ASP77 3.8 39.7 1.0
OD2 E:ASP77 4.1 38.5 1.0
O F:LEU22 4.2 41.0 1.0
O E:GLU73 4.5 33.9 1.0
CG E:GLU73 4.9 32.5 1.0

Manganese binding site 3 out of 10 in 5b32

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Manganese binding site 3 out of 10 in the The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3. within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn301

b:48.5
occ:1.00
OP2 I:DA27 2.0 61.6 1.0
P I:DA27 3.4 44.9 1.0
O3' I:DC26 4.1 51.0 1.0
C8 I:DA27 4.1 47.4 1.0
N7 I:DA27 4.2 45.1 1.0
OP1 I:DA27 4.3 46.0 1.0
C3' I:DC26 4.4 48.2 1.0
O5' I:DA27 4.4 51.0 1.0
C2' I:DC26 4.7 47.8 1.0

Manganese binding site 4 out of 10 in 5b32

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Manganese binding site 4 out of 10 in the The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3. within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn302

b:80.4
occ:1.00
O6 I:DG68 2.1 61.4 1.0
C6 I:DG68 3.2 48.9 1.0
N4 J:DC225 3.7 57.6 1.0
N7 I:DG68 3.9 49.4 1.0
C5 I:DG68 3.9 48.2 1.0
O6 J:DG224 3.9 55.7 1.0
N1 I:DG68 4.4 52.5 1.0
N7 J:DG224 4.5 54.5 1.0
N7 I:DA67 4.6 48.7 1.0
C6 J:DG224 4.8 53.1 1.0
C4 J:DC225 4.9 59.2 1.0

Manganese binding site 5 out of 10 in 5b32

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Manganese binding site 5 out of 10 in the The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3. within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn303

b:69.4
occ:1.00
N3 I:DA113 4.3 52.5 1.0
C5' I:DC114 4.4 63.5 1.0
O4' I:DC114 4.4 56.3 1.0
C4' I:DC114 4.6 60.4 1.0
O4' I:DA113 4.7 58.3 1.0
C4' J:DT182 4.7 62.5 1.0
O4' J:DT182 4.7 52.8 1.0
C1' I:DA113 4.7 56.5 1.0
C5' J:DT182 4.7 65.3 1.0
N3 J:DA181 4.8 55.5 1.0

Manganese binding site 6 out of 10 in 5b32

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Manganese binding site 6 out of 10 in the The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3. within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn304

b:57.3
occ:1.00
N7 I:DG121 2.0 46.5 1.0
C5 I:DG121 3.0 47.7 1.0
C8 I:DG121 3.0 49.1 1.0
O6 I:DG121 3.3 53.6 1.0
C6 I:DG121 3.5 46.9 1.0
N9 I:DG121 4.2 47.2 1.0
C4 I:DG121 4.2 47.2 1.0
C2' I:DT120 4.3 42.7 1.0
O6 I:DG122 4.6 52.5 1.0
C6 I:DT120 4.9 40.4 1.0
N1 I:DG121 4.9 45.8 1.0
N4 J:DC171 4.9 67.4 1.0

Manganese binding site 7 out of 10 in 5b32

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Manganese binding site 7 out of 10 in the The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3. within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn401

b:67.7
occ:1.00
N7 J:DG280 2.4 48.9 1.0
C5 J:DG280 3.4 50.1 1.0
C8 J:DG280 3.4 49.3 1.0
O6 J:DG280 3.4 52.3 1.0
C6 J:DG280 3.8 50.1 1.0
N7 J:DA279 4.0 49.0 1.0
C8 J:DA279 4.0 48.8 1.0
O6 J:DG281 4.2 52.2 1.0
C4 J:DG280 4.6 51.3 1.0
N9 J:DG280 4.6 53.3 1.0
OP2 J:DA279 4.8 49.3 1.0
N7 J:DG281 5.0 57.8 1.0

Manganese binding site 8 out of 10 in 5b32

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Manganese binding site 8 out of 10 in the The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3. within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn402

b:59.2
occ:1.00
N7 J:DG267 2.3 46.7 1.0
C5 J:DG267 3.3 44.0 1.0
C8 J:DG267 3.3 45.3 1.0
O6 J:DG267 3.4 54.0 1.0
C6 J:DG267 3.7 47.9 1.0
O J:HOH502 4.2 40.8 1.0
O6 J:DG268 4.2 46.1 1.0
C2' J:DT266 4.3 42.3 1.0
C4 J:DG267 4.5 44.8 1.0
N9 J:DG267 4.5 45.8 1.0
OP2 J:DG267 4.5 51.4 1.0
O3' J:DT266 4.8 47.2 1.0
N4 I:DC25 4.9 42.9 1.0

Manganese binding site 9 out of 10 in 5b32

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Manganese binding site 9 out of 10 in the The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3. within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn403

b:63.3
occ:1.00
N7 J:DG185 2.5 52.8 1.0
O6 J:DG186 2.8 47.8 1.0
C8 J:DG185 3.3 48.3 1.0
C5 J:DG185 3.5 50.1 1.0
C6 J:DG186 3.6 50.4 1.0
O6 J:DG185 3.8 49.8 1.0
C6 J:DG185 4.0 48.6 1.0
N4 I:DC107 4.1 60.9 1.0
OP2 J:DG185 4.2 53.0 1.0
N7 J:DG186 4.2 49.0 1.0
C5 J:DG186 4.2 50.3 1.0
N9 J:DG185 4.5 50.6 1.0
C4 J:DG185 4.6 47.4 1.0
N1 J:DG186 4.7 47.3 1.0
C2' J:DT184 4.7 50.0 1.0

Manganese binding site 10 out of 10 in 5b32

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Manganese binding site 10 out of 10 in the The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of The Crystal Structure of the Heterotypic H2AZ/H2A Nucleosome with H3.3. within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn404

b:92.2
occ:1.00
N7 J:DG217 2.7 40.4 1.0
C8 J:DG217 3.6 41.2 1.0
C5 J:DG217 3.8 36.1 1.0
O6 J:DG217 3.9 36.5 1.0
N6 J:DA218 4.2 38.7 1.0
C6 J:DG217 4.2 37.8 1.0
OP2 J:DG217 4.3 40.4 1.0
C2' J:DT216 4.4 40.7 1.0
N9 J:DG217 4.8 38.9 1.0
C4 J:DG217 4.9 38.9 1.0
C6 J:DT216 5.0 35.2 1.0

Reference:

N.Horikoshi, Y.Arimura, H.Taguchi, H.Kurumizaka. Crystal Structures of Heterotypic Nucleosomes Containing Histones H2A.Z and H2A. Open Biology V. 6 2016.
ISSN: ESSN 2046-2441
PubMed: 27358293
DOI: 10.1098/RSOB.160127
Page generated: Sat Oct 5 23:34:38 2024

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