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Chlorine in PDB 4hga: Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx

Protein crystallography data

The structure of Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx, PDB code: 4hga was solved by C.P.Liu, C.Y.Xiong, M.Z.Wang, Z.L.Yu, N.Yang, P.Chen, Z.G.Zhang, G.H.Li, R.M.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.93 / 2.80
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 72.103, 72.103, 323.550, 90.00, 90.00, 120.00
R / Rfree (%) 20.8 / 27.1

Other elements in 4hga:

The structure of Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx also contains other interesting chemical elements:

Platinum (Pt) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx (pdb code 4hga). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx, PDB code: 4hga:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 4hga

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Chlorine binding site 1 out of 9 in the Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:0.9
occ:0.50
CL1 A:PC4401 0.0 0.9 0.5
PT A:PC4401 2.4 0.7 0.5
CL4 A:PC4401 3.4 0.2 0.5
CL2 A:PC4401 3.4 74.3 0.5
CG A:PRO258 3.8 70.8 1.0
CB A:PRO258 4.1 73.5 1.0
O A:PRO258 4.3 73.3 1.0
NH1 A:ARG323 4.3 86.2 1.0
CG A:ARG260 4.4 97.6 1.0
CB A:ARG260 4.4 93.9 1.0
C A:PRO258 4.5 74.4 1.0
N A:ARG260 4.5 85.3 1.0
CL3 A:PC4401 4.9 77.7 0.5
N A:TYR259 4.9 75.2 1.0
CA A:PRO258 4.9 72.8 1.0

Chlorine binding site 2 out of 9 in 4hga

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Chlorine binding site 2 out of 9 in the Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:74.3
occ:0.50
CL2 A:PC4401 0.0 74.3 0.5
PT A:PC4401 2.4 0.7 0.5
N A:ARG260 2.6 85.3 1.0
NH2 A:ARG323 2.7 86.8 1.0
NH1 A:ARG323 3.3 86.2 1.0
CL3 A:PC4401 3.4 77.7 0.5
CL1 A:PC4401 3.4 0.9 0.5
N A:GLY261 3.5 88.4 1.0
CA A:TYR259 3.5 74.5 1.0
CA A:ARG260 3.5 91.5 1.0
CZ A:ARG323 3.5 84.1 1.0
C A:ARG260 3.5 91.5 1.0
C A:TYR259 3.5 81.7 1.0
CB A:ARG260 3.9 93.9 1.0
CD1 A:TYR259 3.9 71.3 1.0
O A:PRO258 4.0 73.3 1.0
CA A:GLY261 4.1 87.3 1.0
O A:ARG260 4.1 94.6 1.0
CG A:TYR259 4.3 72.7 1.0
N A:TYR259 4.4 75.2 1.0
CB A:TYR259 4.4 71.9 1.0
CE1 A:TYR259 4.4 73.0 1.0
C A:PRO258 4.5 74.4 1.0
CG A:ARG260 4.7 97.6 1.0
O A:TYR259 4.7 83.3 1.0
NE A:ARG323 4.8 75.7 1.0
CL4 A:PC4401 4.8 0.2 0.5

Chlorine binding site 3 out of 9 in 4hga

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Chlorine binding site 3 out of 9 in the Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:77.7
occ:0.50
CL3 A:PC4401 0.0 77.7 0.5
PT A:PC4401 2.4 0.7 0.5
CL2 A:PC4401 3.4 74.3 0.5
CL4 A:PC4401 3.5 0.2 0.5
NH2 A:ARG323 4.2 86.8 1.0
O A:ARG260 4.4 94.6 1.0
CA A:GLY261 4.7 87.3 1.0
C A:ARG260 4.7 91.5 1.0
CL1 A:PC4401 4.9 0.9 0.5
N A:GLY261 4.9 88.4 1.0

Chlorine binding site 4 out of 9 in 4hga

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Chlorine binding site 4 out of 9 in the Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:0.2
occ:0.50
CL4 A:PC4401 0.0 0.2 0.5
PT A:PC4401 2.4 0.7 0.5
CL1 A:PC4401 3.4 0.9 0.5
CL3 A:PC4401 3.5 77.7 0.5
CL2 A:PC4401 4.8 74.3 0.5

Chlorine binding site 5 out of 9 in 4hga

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Chlorine binding site 5 out of 9 in the Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:96.5
occ:0.90
CL2 A:PC4402 0.0 96.5 0.9
PT A:PC4402 2.4 0.7 0.9
CB A:THR262 3.5 86.4 1.0
CL3 A:PC4402 3.5 0.5 0.9
SD A:MET312 3.8 0.4 1.0
N A:ARG263 3.8 96.1 1.0
CD2 A:TYR264 3.8 0.1 1.0
CA A:THR262 3.9 89.3 1.0
CE2 A:TYR264 4.0 0.1 1.0
CG2 A:THR262 4.3 81.2 1.0
CG A:MET312 4.3 78.9 1.0
OG1 A:THR262 4.3 87.9 1.0
C A:THR262 4.4 93.0 1.0
CG A:ARG263 4.4 0.1 1.0
CL4 A:PC4402 4.9 0.9 0.9
CA A:ARG263 4.9 99.6 1.0
N A:TYR264 5.0 99.2 1.0
CB A:MET312 5.0 78.5 1.0

Chlorine binding site 6 out of 9 in 4hga

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Chlorine binding site 6 out of 9 in the Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:0.5
occ:0.90
CL3 A:PC4402 0.0 0.5 0.9
PT A:PC4402 2.4 0.7 0.9
CL4 A:PC4402 3.4 0.9 0.9
CL2 A:PC4402 3.5 96.5 0.9
CE2 A:TYR264 3.6 0.1 1.0
OH A:TYR264 4.1 1.0 1.0
CZ A:TYR264 4.3 0.5 1.0
OE1 A:GLN308 4.4 99.8 1.0
CD2 A:TYR264 4.5 0.1 1.0

Chlorine binding site 7 out of 9 in 4hga

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Chlorine binding site 7 out of 9 in the Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:0.9
occ:0.90
CL4 A:PC4402 0.0 0.9 0.9
PT A:PC4402 2.4 0.7 0.9
O A:GLN308 3.1 88.4 1.0
CL3 A:PC4402 3.4 0.5 0.9
CE A:MET312 3.4 87.2 1.0
C A:GLN308 3.4 91.0 1.0
CB A:MET312 3.6 78.5 1.0
CB A:GLN308 3.7 90.8 1.0
N A:LEU309 3.9 94.0 1.0
SD A:MET312 3.9 0.4 1.0
CA A:GLN308 4.1 90.9 1.0
CA A:LEU309 4.2 92.4 1.0
CG A:MET312 4.3 78.9 1.0
CG A:GLN308 4.5 90.2 1.0
OE1 A:GLN308 4.7 99.8 1.0
CD2 A:LEU309 4.8 0.2 1.0
CA A:MET312 4.8 76.5 1.0
CL2 A:PC4402 4.9 96.5 0.9
N A:MET312 4.9 77.6 1.0
CD A:GLN308 5.0 98.2 1.0

Chlorine binding site 8 out of 9 in 4hga

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Chlorine binding site 8 out of 9 in the Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:0.1
occ:0.60
CL1 B:PC4201 0.0 0.1 0.6
PT B:PC4201 2.4 0.1 0.6
CD1 C:LEU49 3.5 86.8 1.0
CL4 B:PC4201 3.5 0.6 0.6
OG C:SER47 4.2 94.4 1.0
CB A:SER386 4.3 0.2 1.0
CG A:GLN383 4.5 99.4 1.0
OG A:SER386 4.7 0.5 1.0
CG C:LEU49 5.0 83.1 1.0

Chlorine binding site 9 out of 9 in 4hga

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Chlorine binding site 9 out of 9 in the Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:0.6
occ:0.60
CL4 B:PC4201 0.0 0.6 0.6
PT B:PC4201 2.4 0.1 0.6
NE2 A:GLN383 3.4 94.8 1.0
CL1 B:PC4201 3.5 0.1 0.6
CG A:GLN383 3.7 99.4 1.0
SD B:MET120 3.8 0.6 1.0
CD A:GLN383 4.0 94.8 1.0
CE B:MET120 4.2 76.5 1.0
CB A:GLU387 4.2 0.9 1.0
O A:GLN383 4.5 0.6 1.0
CG B:MET120 4.8 84.2 1.0

Reference:

C.P.Liu, C.Y.Xiong, M.Z.Wang, Z.L.Yu, N.Yang, P.Chen, Z.G.Zhang, G.H.Li, R.M.Xu. Structure of the Variant Histone H3.3-H4 Heterodimer in Complex with Its Chaperone Daxx. Nat.Struct.Mol.Biol. V. 19 1287 2012.
ISSN: ISSN 1545-9993
PubMed: 23142979
DOI: 10.1038/NSMB.2439
Page generated: Sat Dec 12 10:42:44 2020

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