Chlorine in PDB 1tzy: Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution
Protein crystallography data
The structure of Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution, PDB code: 1tzy
was solved by
C.M.Wood,
J.M.Nicholson,
L.Chantalat,
C.D.Reynolds,
S.J.Lambert,
J.P.Baldwin,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
14.96 /
1.90
|
Space group
|
P 65
|
Cell size a, b, c (Å), α, β, γ (°)
|
158.351,
158.351,
103.576,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
18.7 /
22.2
|
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
23;
Binding sites:
The binding sites of Chlorine atom in the Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution
(pdb code 1tzy). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 23 binding sites of Chlorine where determined in the
Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution, PDB code: 1tzy:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 23 in 1tzy
Go back to
Chlorine Binding Sites List in 1tzy
Chlorine binding site 1 out
of 23 in the Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1604
b:38.6
occ:1.00
|
O
|
A:HOH1627
|
3.1
|
37.9
|
1.0
|
O
|
A:HOH1655
|
3.2
|
41.7
|
1.0
|
NH1
|
A:ARG35
|
3.4
|
31.5
|
1.0
|
CD
|
A:ARG35
|
3.6
|
34.0
|
1.0
|
CA
|
A:ARG32
|
3.9
|
33.6
|
1.0
|
CB
|
A:ARG32
|
4.1
|
35.0
|
1.0
|
CZ
|
A:ARG35
|
4.3
|
30.2
|
1.0
|
N
|
A:ARG32
|
4.4
|
33.9
|
1.0
|
NE
|
A:ARG35
|
4.4
|
34.0
|
1.0
|
CG
|
A:ARG32
|
4.7
|
32.7
|
1.0
|
NE
|
A:ARG32
|
4.8
|
40.6
|
1.0
|
CG
|
A:ARG35
|
4.8
|
31.6
|
1.0
|
C
|
A:HIS31
|
4.9
|
32.4
|
1.0
|
O
|
A:HIS31
|
4.9
|
34.0
|
1.0
|
CD
|
A:ARG32
|
4.9
|
43.6
|
1.0
|
|
Chlorine binding site 2 out
of 23 in 1tzy
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Chlorine Binding Sites List in 1tzy
Chlorine binding site 2 out
of 23 in the Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1613
b:71.8
occ:1.00
|
OD1
|
A:ASN89
|
3.4
|
47.2
|
1.0
|
O
|
A:LEU85
|
3.6
|
41.4
|
1.0
|
CB
|
A:ALA69
|
3.8
|
51.9
|
1.0
|
C
|
A:LEU85
|
3.9
|
38.6
|
1.0
|
CB
|
A:LEU85
|
4.0
|
39.3
|
1.0
|
CB
|
A:ASN89
|
4.0
|
42.9
|
1.0
|
CG
|
A:ASN89
|
4.1
|
44.9
|
1.0
|
O
|
A:HOH1644
|
4.1
|
40.8
|
1.0
|
N
|
A:ALA86
|
4.1
|
41.5
|
1.0
|
CA
|
A:ALA86
|
4.2
|
41.9
|
1.0
|
CA
|
A:LEU85
|
4.6
|
39.1
|
1.0
|
CA
|
A:ALA69
|
4.6
|
52.2
|
1.0
|
O
|
A:LEU65
|
5.0
|
45.8
|
1.0
|
|
Chlorine binding site 3 out
of 23 in 1tzy
Go back to
Chlorine Binding Sites List in 1tzy
Chlorine binding site 3 out
of 23 in the Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1620
b:68.9
occ:1.00
|
O
|
G:HOH1670
|
3.2
|
56.3
|
1.0
|
N
|
A:ILE111
|
3.3
|
42.7
|
1.0
|
O
|
A:HOH1693
|
3.5
|
57.0
|
1.0
|
CA
|
A:ASN110
|
3.8
|
45.0
|
1.0
|
O
|
A:ILE111
|
4.0
|
43.5
|
1.0
|
C
|
A:ASN110
|
4.0
|
43.9
|
1.0
|
OD1
|
A:ASN110
|
4.2
|
48.8
|
1.0
|
CA
|
A:ILE111
|
4.2
|
43.6
|
1.0
|
CB
|
A:ILE111
|
4.3
|
43.7
|
1.0
|
N
|
A:ASN110
|
4.4
|
45.7
|
1.0
|
CG1
|
A:ILE111
|
4.5
|
46.3
|
1.0
|
O
|
A:PRO109
|
4.6
|
46.9
|
1.0
|
C
|
A:ILE111
|
4.6
|
43.5
|
1.0
|
C
|
A:PRO109
|
4.7
|
45.9
|
1.0
|
CG
|
A:ASN110
|
4.9
|
47.6
|
1.0
|
CB
|
A:ASN110
|
4.9
|
45.5
|
1.0
|
|
Chlorine binding site 4 out
of 23 in 1tzy
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Chlorine Binding Sites List in 1tzy
Chlorine binding site 4 out
of 23 in the Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1622
b:46.4
occ:1.00
|
O
|
A:HOH1710
|
3.2
|
67.0
|
1.0
|
NH1
|
A:ARG29
|
3.2
|
40.8
|
1.0
|
CD
|
A:ARG29
|
3.5
|
42.9
|
1.0
|
O
|
A:HOH1716
|
3.7
|
85.7
|
1.0
|
CB
|
A:ARG32
|
3.9
|
35.0
|
1.0
|
CG
|
A:ARG32
|
4.1
|
32.7
|
1.0
|
CA
|
A:ARG29
|
4.2
|
37.6
|
1.0
|
CZ
|
A:ARG29
|
4.2
|
42.1
|
1.0
|
CD
|
A:ARG32
|
4.3
|
43.6
|
1.0
|
NE
|
A:ARG29
|
4.3
|
42.6
|
1.0
|
O2
|
A:PO41501
|
4.5
|
47.7
|
1.0
|
CB
|
A:ARG29
|
4.5
|
37.2
|
1.0
|
CG
|
A:ARG29
|
4.6
|
42.0
|
1.0
|
O
|
A:GLY28
|
4.6
|
35.3
|
1.0
|
N
|
A:ARG29
|
4.7
|
36.4
|
1.0
|
C
|
A:GLY28
|
4.9
|
37.0
|
1.0
|
|
Chlorine binding site 5 out
of 23 in 1tzy
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Chlorine Binding Sites List in 1tzy
Chlorine binding site 5 out
of 23 in the Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1606
b:41.5
occ:1.00
|
N
|
A:GLY46
|
3.2
|
35.9
|
1.0
|
N
|
B:SER91
|
3.3
|
38.7
|
1.0
|
CB
|
B:THR90
|
3.4
|
40.2
|
1.0
|
CA
|
B:THR90
|
3.5
|
39.1
|
1.0
|
O
|
B:HOH1644
|
3.5
|
47.3
|
1.0
|
C
|
A:GLY44
|
3.6
|
39.2
|
1.0
|
N
|
A:ALA47
|
3.6
|
36.1
|
1.0
|
CA
|
A:GLY46
|
3.6
|
36.6
|
1.0
|
CA
|
A:GLY44
|
3.7
|
40.1
|
1.0
|
N
|
A:ALA45
|
3.8
|
39.0
|
1.0
|
C
|
B:THR90
|
3.9
|
39.1
|
1.0
|
O
|
A:GLY44
|
4.0
|
39.5
|
1.0
|
C
|
A:GLY46
|
4.0
|
36.0
|
1.0
|
CG2
|
B:THR90
|
4.1
|
39.5
|
1.0
|
C
|
A:ALA45
|
4.3
|
36.5
|
1.0
|
CB
|
B:SER91
|
4.3
|
39.9
|
1.0
|
OG
|
B:SER91
|
4.4
|
40.9
|
1.0
|
CA
|
B:SER91
|
4.4
|
39.3
|
1.0
|
CA
|
A:ALA45
|
4.6
|
37.0
|
1.0
|
N
|
A:GLY44
|
4.6
|
38.8
|
1.0
|
OG1
|
B:THR90
|
4.7
|
42.3
|
1.0
|
O
|
A:HOH1640
|
4.7
|
43.2
|
1.0
|
CA
|
A:ALA47
|
4.7
|
35.5
|
1.0
|
CB
|
A:ALA47
|
4.7
|
36.3
|
1.0
|
O
|
B:ILE89
|
4.8
|
35.7
|
1.0
|
N
|
B:THR90
|
4.8
|
37.4
|
1.0
|
|
Chlorine binding site 6 out
of 23 in 1tzy
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Chlorine Binding Sites List in 1tzy
Chlorine binding site 6 out
of 23 in the Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl1614
b:44.1
occ:1.00
|
OG
|
B:SER64
|
3.0
|
31.9
|
1.0
|
O
|
B:HOH1619
|
3.1
|
43.5
|
1.0
|
O
|
H:HOH1619
|
3.1
|
32.3
|
1.0
|
O
|
B:HOH1620
|
3.3
|
40.1
|
1.0
|
CA
|
H:GLY101
|
3.6
|
48.0
|
1.0
|
CB
|
B:SER64
|
3.6
|
32.2
|
1.0
|
O
|
H:HOH1631
|
3.7
|
39.7
|
1.0
|
N
|
H:GLY101
|
3.8
|
43.1
|
1.0
|
CE
|
B:LYS34
|
3.8
|
59.0
|
1.0
|
CA
|
B:SER64
|
3.8
|
32.5
|
1.0
|
CD
|
B:LYS34
|
4.1
|
54.6
|
1.0
|
NZ
|
B:LYS34
|
4.1
|
56.6
|
1.0
|
O
|
B:HOH1617
|
4.1
|
37.3
|
1.0
|
CG
|
B:LYS34
|
4.2
|
53.7
|
1.0
|
CE
|
H:MET84
|
4.4
|
46.4
|
1.0
|
C
|
H:PHE100
|
4.7
|
41.3
|
1.0
|
O
|
H:LEU97
|
4.7
|
27.8
|
1.0
|
CB
|
B:LYS34
|
4.7
|
53.6
|
1.0
|
N
|
B:SER64
|
4.8
|
33.0
|
1.0
|
CG1
|
H:VAL87
|
4.8
|
31.7
|
1.0
|
N
|
H:PHE100
|
4.9
|
36.0
|
1.0
|
C
|
H:GLY101
|
4.9
|
51.7
|
1.0
|
C
|
B:SER64
|
4.9
|
32.1
|
1.0
|
O
|
B:SER64
|
5.0
|
33.9
|
1.0
|
|
Chlorine binding site 7 out
of 23 in 1tzy
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Chlorine Binding Sites List in 1tzy
Chlorine binding site 7 out
of 23 in the Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1607
b:47.4
occ:1.00
|
N
|
C:LYS122
|
3.2
|
40.6
|
1.0
|
CG
|
C:LYS122
|
3.5
|
45.9
|
1.0
|
CB
|
C:LYS122
|
3.6
|
41.9
|
1.0
|
CD
|
C:PRO121
|
3.7
|
40.9
|
1.0
|
CB
|
C:PRO121
|
3.9
|
40.6
|
1.0
|
N
|
C:PRO121
|
3.9
|
39.5
|
1.0
|
CE
|
C:MET120
|
3.9
|
52.1
|
1.0
|
CA
|
C:LYS122
|
4.0
|
41.6
|
1.0
|
CB
|
C:MET120
|
4.0
|
38.0
|
1.0
|
CD
|
C:LYS122
|
4.1
|
49.4
|
1.0
|
C
|
C:PRO121
|
4.1
|
41.4
|
1.0
|
CA
|
C:PRO121
|
4.2
|
40.6
|
1.0
|
CG
|
C:PRO121
|
4.3
|
40.4
|
1.0
|
C
|
C:MET120
|
4.5
|
38.3
|
1.0
|
CE
|
C:LYS122
|
4.5
|
53.6
|
1.0
|
CG
|
C:MET120
|
4.8
|
43.9
|
1.0
|
CA
|
C:MET120
|
4.8
|
37.7
|
1.0
|
O
|
D:HOH1681
|
4.9
|
67.5
|
1.0
|
SD
|
C:MET120
|
4.9
|
49.6
|
1.0
|
|
Chlorine binding site 8 out
of 23 in 1tzy
Go back to
Chlorine Binding Sites List in 1tzy
Chlorine binding site 8 out
of 23 in the Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1615
b:49.6
occ:1.00
|
OG1
|
C:THR118
|
3.1
|
42.0
|
1.0
|
N
|
C:VAL117
|
3.2
|
43.8
|
1.0
|
N
|
C:THR118
|
3.3
|
39.5
|
1.0
|
CB
|
C:THR118
|
3.5
|
41.6
|
1.0
|
CB
|
C:ARG116
|
3.7
|
43.2
|
1.0
|
CA
|
C:ARG116
|
3.8
|
43.2
|
1.0
|
CG
|
C:ARG116
|
4.0
|
44.5
|
1.0
|
C
|
C:ARG116
|
4.1
|
43.7
|
1.0
|
CA
|
C:THR118
|
4.1
|
39.5
|
1.0
|
CA
|
C:VAL117
|
4.1
|
42.4
|
1.0
|
C
|
C:VAL117
|
4.1
|
40.3
|
1.0
|
CB
|
C:VAL117
|
4.3
|
46.3
|
1.0
|
CG1
|
C:VAL117
|
4.3
|
47.7
|
1.0
|
CG2
|
C:THR118
|
4.8
|
44.2
|
1.0
|
O
|
C:THR118
|
4.9
|
37.6
|
1.0
|
|
Chlorine binding site 9 out
of 23 in 1tzy
Go back to
Chlorine Binding Sites List in 1tzy
Chlorine binding site 9 out
of 23 in the Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl1619
b:61.1
occ:1.00
|
O
|
D:HOH1663
|
2.9
|
61.1
|
1.0
|
NH1
|
C:ARG128
|
3.1
|
44.6
|
1.0
|
CG
|
C:GLN125
|
3.4
|
45.7
|
1.0
|
CD
|
C:ARG128
|
3.5
|
37.8
|
1.0
|
CA
|
C:GLN125
|
3.6
|
38.9
|
1.0
|
CB
|
C:GLN125
|
3.9
|
40.2
|
1.0
|
NE
|
C:ARG134
|
4.0
|
81.6
|
1.0
|
CZ
|
C:ARG128
|
4.1
|
38.7
|
1.0
|
CB
|
C:ARG128
|
4.1
|
35.0
|
1.0
|
CG
|
C:ARG134
|
4.2
|
70.8
|
1.0
|
NE
|
C:ARG128
|
4.2
|
36.7
|
1.0
|
CG
|
C:ARG128
|
4.3
|
35.0
|
1.0
|
N
|
C:GLN125
|
4.3
|
37.4
|
1.0
|
O
|
C:ILE124
|
4.5
|
34.7
|
1.0
|
O
|
C:GLN125
|
4.6
|
37.4
|
1.0
|
CD
|
C:ARG134
|
4.6
|
77.3
|
1.0
|
C
|
C:ILE124
|
4.6
|
37.8
|
1.0
|
C
|
C:GLN125
|
4.7
|
38.0
|
1.0
|
CG2
|
C:ILE124
|
4.7
|
37.9
|
1.0
|
O
|
C:HOH1669
|
4.8
|
77.3
|
1.0
|
CD
|
C:GLN125
|
4.8
|
52.3
|
1.0
|
CB
|
C:ARG134
|
4.8
|
67.2
|
1.0
|
OE2
|
D:GLU53
|
4.9
|
53.4
|
1.0
|
CG1
|
D:VAL57
|
5.0
|
39.1
|
1.0
|
|
Chlorine binding site 10 out
of 23 in 1tzy
Go back to
Chlorine Binding Sites List in 1tzy
Chlorine binding site 10 out
of 23 in the Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Crystal Structure of the Core-Histone Octamer to 1.90 Angstrom Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1603
b:45.5
occ:1.00
|
O
|
D:HOH1683
|
3.0
|
58.9
|
1.0
|
N
|
D:ILE46
|
3.2
|
40.0
|
1.0
|
NH1
|
D:ARG39
|
3.4
|
46.8
|
1.0
|
CA
|
D:ARG45
|
3.7
|
42.6
|
1.0
|
CB
|
D:ILE46
|
3.9
|
40.9
|
1.0
|
C
|
D:ARG45
|
3.9
|
41.8
|
1.0
|
NH2
|
D:ARG39
|
3.9
|
42.1
|
1.0
|
CG1
|
D:ILE46
|
4.0
|
41.3
|
1.0
|
O
|
D:HOH1649
|
4.0
|
49.2
|
1.0
|
CA
|
D:ILE46
|
4.1
|
41.5
|
1.0
|
CZ
|
D:ARG39
|
4.1
|
43.0
|
1.0
|
O
|
D:ILE46
|
4.2
|
43.6
|
1.0
|
O
|
D:LYS44
|
4.2
|
42.6
|
1.0
|
CG
|
D:ARG45
|
4.2
|
48.1
|
1.0
|
CD1
|
D:ILE46
|
4.3
|
44.0
|
1.0
|
CB
|
D:ARG45
|
4.5
|
43.9
|
1.0
|
C
|
D:ILE46
|
4.6
|
42.9
|
1.0
|
N
|
D:ARG45
|
4.6
|
41.5
|
1.0
|
O
|
D:HOH1684
|
4.7
|
58.7
|
1.0
|
O
|
D:HOH1689
|
4.8
|
93.3
|
1.0
|
C
|
D:LYS44
|
4.8
|
41.5
|
1.0
|
|
Reference:
C.M.Wood,
J.M.Nicholson,
S.J.Lambert,
L.Chantalat,
C.D.Reynolds,
J.P.Baldwin.
High-Resolution Structure of the Native Histone Octamer. Acta Crystallogr.,Sect.F V. 61 541 2005.
ISSN: ESSN 1744-3091
PubMed: 16511091
DOI: 10.1107/S1744309105013813
Page generated: Sat Jul 20 02:37:15 2024
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