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Chlorine in PDB 2aro: Crystal Structure of the Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione

Protein crystallography data

The structure of Crystal Structure of the Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione, PDB code: 2aro was solved by C.M.Wood, S.Sodngam, J.M.Nicholson, S.J.Lambert, C.D.Reynolds, J.P.Baldwin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.10
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 158.084, 158.084, 101.037, 90.00, 90.00, 120.00
R / Rfree (%) 18.4 / 22.5

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 Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione (pdb code 2aro). 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 Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione, PDB code: 2aro:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 23 in 2aro

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Chlorine binding site 1 out of 23 in the Crystal Structure of the Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione


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 Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl514

b:34.4
occ:1.00
 O A:HOH544 3.1 34.9 1.0
O A:HOH560 3.2 44.4 1.0
NH1 A:ARG35 3.3 39.9 1.0
CD A:ARG35 3.5 39.3 1.0
CA A:ARG32 3.8 41.1 1.0
CB A:ARG32 3.9 41.6 1.0
N A:ARG32 4.2 40.9 1.0
CZ A:ARG35 4.3 40.2 1.0
NE A:ARG35 4.3 42.0 1.0
NE A:ARG32 4.6 44.3 1.0
C A:HIS31 4.7 40.9 1.0
CG A:ARG35 4.8 39.9 1.0
O A:HIS31 4.8 39.5 1.0
CG A:ARG32 4.9 44.5 1.0
CB A:ARG35 5.0 39.6 1.0
CD A:ARG32 5.0 44.9 1.0

Chlorine binding site 2 out of 23 in 2aro

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Chlorine binding site 2 out of 23 in the Crystal Structure of the Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione


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 Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl515

b:50.2
occ:1.00
 OG1 A:THR101 2.9 42.8 1.0
NH1 H:ARG95 3.4 51.8 1.0
O A:HOH553 3.4 33.8 1.0
NE H:ARG95 3.4 56.6 1.0
CB A:THR101 3.5 42.6 1.0
CB G:ALA95 3.8 39.8 1.0
CZ H:ARG95 3.8 56.4 1.0
CB H:ARG95 3.8 43.5 1.0
CA G:ALA95 4.0 39.7 1.0
CB H:LEU97 4.1 36.5 1.0
CD1 H:LEU90 4.1 34.3 1.0
CD1 H:LEU97 4.2 34.6 1.0
CG2 A:THR101 4.2 41.8 1.0
CA H:LEU97 4.3 36.9 1.0
O H:THR96 4.3 39.7 1.0
CD2 H:LEU90 4.4 37.2 1.0
N H:LEU97 4.4 36.9 1.0
CD H:ARG95 4.5 52.5 1.0
C H:THR96 4.5 39.6 1.0
CG H:LEU90 4.6 41.5 1.0
CG H:LEU97 4.6 34.4 1.0
O G:ALA95 4.6 39.4 1.0
C H:ARG95 4.7 42.4 1.0
CG H:ARG95 4.7 47.4 1.0
CA A:THR101 4.8 42.5 1.0
CA H:ARG95 4.8 43.1 1.0
N A:THR101 4.8 42.5 1.0
N H:THR96 4.8 40.9 1.0
C G:ALA95 4.8 39.5 1.0
CB H:LEU90 4.8 41.2 1.0
O H:ARG95 5.0 42.5 1.0

Chlorine binding site 3 out of 23 in 2aro

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Chlorine binding site 3 out of 23 in the Crystal Structure of the Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione


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 Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl523

b:80.4
occ:1.00
 O A:HOH579 3.0 44.2 1.0
OD1 A:ASN89 3.3 53.0 1.0
O A:LEU85 3.8 51.0 1.0
CG A:ASN89 3.9 53.0 1.0
CB A:ASN89 4.0 52.0 1.0
C A:LEU85 4.0 49.4 1.0
CB A:ALA69 4.1 61.0 1.0
O A:HOH552 4.1 44.2 1.0
CB A:LEU85 4.2 48.8 1.0
N A:ALA86 4.4 50.0 1.0
CA A:ALA69 4.6 61.0 1.0
CA A:ALA86 4.7 50.0 1.0
CA A:LEU85 4.7 48.7 1.0
OD1 A:ASP72 4.8 81.3 1.0

Chlorine binding site 4 out of 23 in 2aro

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Chlorine binding site 4 out of 23 in the Crystal Structure of the Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione


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 Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl530

b:64.7
occ:1.00
 O G:HOH546 2.8 43.0 1.0
N A:ILE111 3.3 48.0 1.0
O A:HOH554 3.7 48.9 1.0
CA A:ASN110 3.8 50.6 1.0
C A:ASN110 4.0 49.3 1.0
O A:ILE111 4.1 46.8 1.0
CA A:ILE111 4.3 47.5 1.0
CB A:ILE111 4.3 47.4 1.0
OD1 A:ASN110 4.4 56.8 1.0
N A:ASN110 4.4 50.7 1.0
CG1 A:ILE111 4.5 47.7 1.0
O A:PRO109 4.6 51.3 1.0
C A:ILE111 4.7 48.0 1.0
C A:PRO109 4.7 50.8 1.0
CB A:ASN110 4.9 51.1 1.0

Chlorine binding site 5 out of 23 in 2aro

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Chlorine binding site 5 out of 23 in the Crystal Structure of the Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione


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 Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl532

b:47.8
occ:1.00
 CD A:ARG29 3.5 49.6 1.0
NH1 A:ARG29 3.5 49.2 1.0
CA A:ARG29 4.0 43.7 1.0
CB A:ARG32 4.0 41.6 1.0
CG A:ARG32 4.1 44.5 1.0
NE A:ARG29 4.4 50.2 1.0
CZ A:ARG29 4.4 51.3 1.0
O A:GLY28 4.4 42.5 1.0
CB A:ARG29 4.4 44.7 1.0
N A:ARG29 4.5 43.1 1.0
CD A:ARG32 4.6 44.9 1.0
CG A:ARG29 4.6 45.4 1.0
C A:GLY28 4.7 44.2 1.0
O1 A:PO4501 4.7 47.6 1.0

Chlorine binding site 6 out of 23 in 2aro

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Chlorine binding site 6 out of 23 in the Crystal Structure of the Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione


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 Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl516

b:39.1
occ:1.00
 N A:GLY46 3.3 43.2 1.0
N B:SER91 3.4 44.1 1.0
CB B:THR90 3.4 44.9 1.0
CA B:THR90 3.5 44.0 1.0
N A:ALA47 3.7 41.9 1.0
C A:GLY44 3.7 44.6 1.0
CA A:GLY44 3.7 44.6 1.0
O B:HOH559 3.7 48.6 1.0
CA A:GLY46 3.7 42.1 1.0
N A:ALA45 3.8 43.3 1.0
C B:THR90 3.9 44.5 1.0
C A:GLY46 4.1 41.6 1.0
O A:GLY44 4.2 44.3 1.0
CG2 B:THR90 4.2 44.9 1.0
OG B:SER91 4.2 45.8 1.0
C A:ALA45 4.4 43.0 1.0
CB B:SER91 4.5 44.4 1.0
CA B:SER91 4.5 45.4 1.0
OG1 B:THR90 4.6 46.4 1.0
CA A:ALA45 4.6 43.4 1.0
N A:GLY44 4.7 45.8 1.0
CA A:ALA47 4.7 41.6 1.0
N B:THR90 4.8 43.7 1.0
O B:ILE89 4.8 44.6 1.0
CB A:ALA47 4.9 40.3 1.0

Chlorine binding site 7 out of 23 in 2aro

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Chlorine binding site 7 out of 23 in the Crystal Structure of the Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione


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 Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl524

b:43.5
occ:1.00
 OG B:SER64 3.1 36.0 1.0
O H:HOH529 3.1 29.9 1.0
O B:HOH540 3.1 37.9 1.0
O B:HOH532 3.5 41.9 1.0
N H:GLY101 3.6 49.9 1.0
CA H:GLY101 3.6 54.0 1.0
CB B:SER64 3.7 37.5 1.0
O H:HOH541 3.7 34.4 1.0
CA B:SER64 3.8 38.3 1.0
NZ B:LYS34 3.8 67.4 1.0
CG B:LYS34 4.0 59.6 1.0
O B:HOH529 4.3 29.4 1.0
CE H:MET84 4.4 51.8 1.0
O H:LEU97 4.6 35.9 1.0
C H:PHE100 4.6 47.6 1.0
CB B:LYS34 4.7 60.1 1.0
CE B:LYS34 4.7 63.6 1.0
CG1 H:VAL87 4.7 38.0 1.0
N B:SER64 4.7 39.5 1.0
CD B:LYS34 4.8 61.1 1.0
SD H:MET84 4.8 60.1 1.0
N H:PHE100 4.8 43.4 1.0
C B:SER64 4.9 38.9 1.0
O B:SER64 4.9 38.2 1.0

Chlorine binding site 8 out of 23 in 2aro

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Chlorine binding site 8 out of 23 in the Crystal Structure of the Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione


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 Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl517

b:45.3
occ:1.00
 N C:LYS122 3.3 45.0 1.0
CG C:LYS122 3.6 47.0 1.0
CB C:LYS122 3.7 46.0 1.0
CD C:PRO121 3.8 46.3 1.0
N C:PRO121 3.9 46.4 1.0
CB C:PRO121 3.9 46.4 1.0
CB C:MET120 3.9 46.7 1.0
CE C:MET120 4.0 59.7 1.0
CA C:LYS122 4.1 45.4 1.0
CG C:PRO121 4.2 47.1 1.0
C C:PRO121 4.2 46.3 1.0
CE C:LYS122 4.2 56.6 1.0
CA C:PRO121 4.3 46.5 1.0
CD C:LYS122 4.3 52.6 1.0
C C:MET120 4.5 46.5 1.0
CA C:MET120 4.8 47.2 1.0
CG C:MET120 4.8 50.4 1.0
SD C:MET120 4.9 57.4 1.0

Chlorine binding site 9 out of 23 in 2aro

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Chlorine binding site 9 out of 23 in the Crystal Structure of the Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione


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 Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl525

b:44.3
occ:1.00
 OG1 C:THR118 3.1 47.2 1.0
N C:VAL117 3.1 49.0 1.0
N C:THR118 3.4 46.8 1.0
CB C:ARG116 3.4 50.3 1.0
CB C:THR118 3.7 46.1 1.0
CA C:ARG116 3.7 50.2 1.0
CG C:ARG116 3.9 51.8 1.0
C C:ARG116 3.9 49.4 1.0
CA C:VAL117 4.0 49.5 1.0
CB C:VAL117 4.1 51.0 1.0
C C:VAL117 4.1 48.6 1.0
CA C:THR118 4.2 46.1 1.0
CG1 C:VAL117 4.6 52.1 1.0
O C:THR118 4.9 44.3 1.0

Chlorine binding site 10 out of 23 in 2aro

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Chlorine binding site 10 out of 23 in the Crystal Structure of the Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione


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 Native Histone Octamer to 2.1 Angstrom Resolution, Crystalised in the Presence of S-Nitrosoglutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl529

b:58.6
occ:1.00
 NH1 C:ARG128 3.1 44.1 1.0
NE C:ARG134 3.3 87.5 1.0
CD C:ARG134 3.4 84.3 1.0
CG C:GLN125 3.6 49.2 1.0
CD C:ARG128 3.7 45.0 1.0
CA C:GLN125 3.7 45.9 1.0
CB C:GLN125 4.1 46.2 1.0
CZ C:ARG128 4.2 49.3 1.0
CB C:ARG128 4.2 43.5 1.0
CG C:ARG134 4.3 77.8 1.0
NE C:ARG128 4.4 47.0 1.0
CG C:ARG128 4.4 43.5 1.0
N C:GLN125 4.4 43.9 1.0
CZ C:ARG134 4.5 89.6 1.0
OE2 D:GLU53 4.6 64.8 1.0
O C:GLN125 4.7 45.0 1.0
O C:ILE124 4.7 43.1 1.0
C C:GLN125 4.7 44.5 1.0
C C:ILE124 4.8 44.0 1.0
CG2 C:ILE124 4.9 43.7 1.0
NH2 C:ARG134 4.9 90.5 1.0
CG1 D:VAL57 4.9 39.4 1.0
CD C:GLN125 4.9 52.2 1.0

Reference:

C.M.Wood, S.Sodngam, J.M.Nicholson, S.J.Lambert, C.D.Reynolds, J.P.Baldwin. The Oxidised Histone Octamer Does Not Form A H3 Disulphide Bond. Biochim.Biophys.Acta V.1764 1356 2006.
ISSN: ISSN 0006-3002
PubMed: 16920041
DOI: 10.1016/J.BBAPAP.2006.06.014
Page generated: Sat Jul 20 05:22:09 2024

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