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Manganese in PDB 5gt3: Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B

Protein crystallography data

The structure of Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B, PDB code: 5gt3 was solved by T.Kumarevel, P.Sivaraman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.70 / 2.91
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 106.887, 110.078, 182.811, 90.00, 90.00, 90.00
R / Rfree (%) 20 / 25.8

Other elements in 5gt3:

The structure of Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

Manganese Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Manganese atom in the Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B (pdb code 5gt3). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 12 binding sites of Manganese where determined in the Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B, PDB code: 5gt3:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 12 in 5gt3

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Manganese binding site 1 out of 12 in the Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B


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 Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn201

b:51.5
occ:1.00
OD1 E:ASP77 1.9 30.0 1.0
CG E:ASP77 3.0 30.0 1.0
OD2 E:ASP77 3.4 30.0 1.0
OE1 E:GLN76 4.1 48.1 1.0
CB E:ASP77 4.3 30.0 1.0
O F:LEU22 4.4 39.1 1.0
CA E:ASP77 4.5 32.4 1.0
N E:ASP77 4.6 31.9 1.0
O E:GLU73 4.7 39.5 1.0
CD E:GLN76 4.8 46.9 1.0

Manganese binding site 2 out of 12 in 5gt3

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Manganese binding site 2 out of 12 in the Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B


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 Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mn201

b:75.0
occ:1.00
N G:GLY46 3.2 56.8 1.0
CA G:GLY44 3.2 63.0 1.0
C G:GLY44 3.4 58.5 1.0
N G:ALA45 3.4 59.1 1.0
N H:SER91 3.6 52.8 1.0
CA H:SER90 3.7 51.8 1.0
N G:ALA47 3.7 58.4 1.0
CA G:GLY46 3.7 55.7 1.0
CB H:SER90 3.8 30.0 1.0
OP1 I:DA111 3.9 78.5 1.0
O G:GLY44 4.1 59.8 1.0
C H:SER90 4.1 50.8 1.0
C G:GLY46 4.2 59.5 1.0
C G:ALA45 4.2 59.2 1.0
OG H:SER91 4.3 57.4 1.0
CA G:ALA45 4.4 55.8 1.0
N G:GLY44 4.4 59.3 1.0
CB H:SER91 4.5 52.2 1.0
CA H:SER91 4.6 50.0 1.0
CB G:ALA47 4.7 53.7 1.0
CA G:ALA47 4.7 50.3 1.0
O H:ILE89 4.8 55.1 1.0
N H:SER90 4.9 55.9 1.0

Manganese binding site 3 out of 12 in 5gt3

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Manganese binding site 3 out of 12 in the Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B


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 Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn201

b:92.8
occ:1.00
O2 I:DT86 4.0 81.1 1.0
O4' I:DG87 4.1 69.9 1.0
O4' J:DT208 4.1 61.5 1.0
O4' I:DC88 4.2 81.5 1.0
O2 J:DT208 4.3 80.3 1.0
C2 J:DA207 4.4 70.8 1.0
C4' I:DC88 4.4 69.7 1.0
C4' I:DG87 4.6 74.1 1.0
C5' I:DC88 4.6 74.0 1.0
N3 J:DA207 4.6 68.1 1.0
C1' J:DT208 4.9 61.6 1.0
N3 I:DG87 4.9 83.6 1.0
C4' J:DT208 5.0 55.0 1.0

Manganese binding site 4 out of 12 in 5gt3

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Manganese binding site 4 out of 12 in the Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B


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 Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn202

b:0.9
occ:1.00
O6 I:DG68 2.8 91.6 1.0
C6 I:DG68 3.8 87.0 1.0
O6 J:DG224 3.9 90.4 1.0
N7 I:DG68 4.0 78.1 1.0
C5 I:DG68 4.3 79.1 1.0
N4 J:DC225 4.4 85.2 1.0
N7 J:DG224 4.6 89.8 1.0
N7 I:DA67 4.6 78.0 1.0
C6 J:DG224 4.7 90.6 1.0

Manganese binding site 5 out of 12 in 5gt3

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Manganese binding site 5 out of 12 in the Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B


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 Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn203

b:0.2
occ:1.00
O6 I:DG78 2.5 88.9 1.0
C6 I:DG78 3.4 85.2 1.0
O6 J:DG214 3.7 68.3 1.0
N7 I:DG78 4.0 80.7 1.0
N7 J:DG214 4.0 67.7 1.0
C5 I:DG78 4.0 79.7 1.0
C6 J:DG214 4.5 65.2 1.0
N1 I:DG78 4.5 82.3 1.0
N4 J:DC215 4.5 79.5 1.0
C5 J:DG214 4.7 69.1 1.0

Manganese binding site 6 out of 12 in 5gt3

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Manganese binding site 6 out of 12 in the Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B


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 Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn301

b:82.2
occ:1.00
N7 J:DG280 2.6 92.6 1.0
O6 J:DG280 2.9 95.0 1.0
C5 J:DG280 3.3 94.1 1.0
C6 J:DG280 3.4 95.9 1.0
C8 J:DG280 3.7 98.3 1.0
O6 J:DG281 3.7 0.0 1.0
C8 J:DA279 4.3 84.8 1.0
N7 J:DA279 4.3 88.0 1.0
C4 J:DG280 4.5 95.2 1.0
N7 J:DG281 4.7 0.6 1.0
N1 J:DG280 4.7 94.5 1.0
C6 J:DG281 4.7 0.2 1.0
N9 J:DG280 4.8 0.6 1.0

Manganese binding site 7 out of 12 in 5gt3

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Manganese binding site 7 out of 12 in the Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn302

b:76.2
occ:1.00
N7 J:DG217 2.1 70.9 1.0
C8 J:DG217 3.0 64.7 1.0
C5 J:DG217 3.2 73.3 1.0
O6 J:DG217 3.6 76.8 1.0
C6 J:DG217 3.7 73.9 1.0
C2' J:DT216 3.9 64.5 1.0
N6 J:DA218 4.2 77.6 1.0
N9 J:DG217 4.2 67.3 1.0
OP2 J:DG217 4.3 52.4 1.0
C4 J:DG217 4.3 73.7 1.0
C6 J:DT216 4.5 67.5 1.0
C6 J:DA218 5.0 77.4 1.0
N1 J:DT216 5.0 66.0 1.0
C5 J:DT216 5.0 67.3 1.0

Manganese binding site 8 out of 12 in 5gt3

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Manganese binding site 8 out of 12 in the Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn303

b:0.7
occ:1.00
N2 J:DG217 3.9 81.7 1.0
O4' J:DA218 4.2 78.0 1.0
N3 I:DA77 4.4 79.9 1.0
C4' J:DA218 4.4 77.0 1.0
N3 J:DG217 4.6 76.3 1.0
C2 J:DG217 4.7 79.5 1.0
C2 I:DA77 4.8 75.7 1.0

Manganese binding site 9 out of 12 in 5gt3

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Manganese binding site 9 out of 12 in the Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn304

b:0.3
occ:1.00
N7 J:DG267 2.3 0.8 1.0
C8 J:DG267 3.0 0.1 1.0
C5 J:DG267 3.5 98.3 1.0
O6 J:DG268 3.6 0.6 1.0
O J:HOH402 3.8 73.5 1.0
OP2 J:DG267 3.9 91.3 1.0
O6 J:DG267 4.1 94.3 1.0
C6 J:DG267 4.2 97.8 1.0
N9 J:DG267 4.3 93.0 1.0
C2' J:DT266 4.5 97.7 1.0
C4 J:DG267 4.6 93.8 1.0
C6 J:DG268 4.6 0.3 1.0

Manganese binding site 10 out of 12 in 5gt3

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Manganese binding site 10 out of 12 in the Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of Crystal Structure of Nucleosome Particle in the Presence of Human Testis-Specific Histone Variant, HTH2B within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn305

b:0.9
occ:1.00
OP2 J:DG246 3.5 0.5 1.0
OP1 J:DG246 4.1 0.3 1.0
P J:DG246 4.2 0.4 1.0
O5' J:DG246 4.7 0.9 1.0

Reference:

S.Padavattan, V.Thiruselvam, T.Shinagawa, K.Hasegawa, T.Kumasaka, S.Ishii, T.Kumarevel. Structural Analyses of the Nucleosome Complexes with Human Testis-Specific Histone Variants, HTH2A and HTH2B Biophys. Chem. V. 221 41 2017.
ISSN: ISSN 1873-4200
PubMed: 27992841
DOI: 10.1016/J.BPC.2016.11.013
Page generated: Sun Oct 6 00:23:05 2024

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