Chlorine in PDB 8cp8: Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead

Protein crystallography data

The structure of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead, PDB code: 8cp8 was solved by M.Liutkus, A.L.Rojas, A.L.Cortajarena, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.90 / 1.68
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 73.257, 73.257, 117.609, 90, 90, 120
R / Rfree (%) 20.4 / 23.4

Other elements in 8cp8:

The structure of Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead also contains other interesting chemical elements:

Lead (Pb) 13 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead (pdb code 8cp8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 20 binding sites of Chlorine where determined in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead, PDB code: 8cp8:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 20 in 8cp8

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Chlorine binding site 1 out of 20 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


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 An 8-Repeat Consensus Tpr Superhelix with Lead within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl308

b:52.9
occ:1.00
PB A:PB325 2.6 29.7 0.9
O A:HOH436 2.7 32.1 1.0
O A:HOH430 2.8 52.0 1.0
OE2 A:GLU121 3.0 34.6 1.0
OD1 A:ASP118 3.2 34.9 1.0
OE1 A:GLU121 3.3 31.9 1.0
CL A:CL316 3.4 65.3 1.0
CD A:GLU121 3.4 31.9 1.0
PB A:PB326 3.4 46.8 0.6
CG A:ASP118 3.5 34.1 1.0
OD2 A:ASP118 4.0 37.1 1.0
CB A:ASP118 4.0 31.9 1.0
CG A:GLU121 4.6 30.2 1.0
OD1 A:ASP120 4.7 29.2 1.0
CA A:ASP118 4.8 30.5 1.0
OD2 A:ASP120 4.9 27.4 1.0
CL A:CL317 5.0 70.8 1.0

Chlorine binding site 2 out of 20 in 8cp8

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Chlorine binding site 2 out of 20 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


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 An 8-Repeat Consensus Tpr Superhelix with Lead within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl309

b:52.0
occ:1.00
PB A:PB321 2.6 31.5 1.0
OD1 A:ASP18 2.8 35.1 1.0
OD1 A:ASP16 2.9 30.9 1.0
OE1 A:GLU19 3.3 30.9 1.0
O A:HOH407 3.3 37.8 1.0
CG A:ASP18 3.6 32.5 1.0
CG A:ASP16 3.6 30.1 1.0
OD2 A:ASP18 3.6 31.9 1.0
CB A:ASP16 3.8 29.6 1.0
CA A:ASP16 4.0 29.0 1.0
O A:HOH435 4.0 41.7 1.0
CD A:GLU19 4.2 29.7 1.0
OE2 A:GLU19 4.3 28.9 1.0
OD2 A:ASP16 4.6 31.0 1.0
C A:ASP16 4.6 28.3 1.0
N A:TYR17 4.9 28.5 1.0

Chlorine binding site 3 out of 20 in 8cp8

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Chlorine binding site 3 out of 20 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


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 An 8-Repeat Consensus Tpr Superhelix with Lead within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl310

b:54.4
occ:1.00
PB A:PB323 2.6 31.1 0.9
O B:HOH404 2.8 46.3 1.0
OD1 B:ASP84 3.2 30.6 1.0
OD1 A:ASP84 3.3 28.1 1.0
OE2 A:GLU87 3.3 37.4 1.0
OD2 A:ASP84 3.3 30.2 1.0
CG A:ASP84 3.4 28.1 1.0
O B:HOH444 3.5 44.2 1.0
CL B:CL311 3.5 56.9 1.0
PB B:PB314 3.8 31.7 1.0
CD A:GLU87 4.1 34.5 1.0
CG B:ASP84 4.3 30.6 1.0
O B:HOH450 4.3 52.9 1.0
CB A:ASP84 4.5 27.2 1.0
OE1 A:GLU87 4.6 33.4 1.0
CE1 A:TYR79 4.6 31.3 1.0
OD2 B:ASP84 4.7 31.5 1.0
O B:HOH448 4.8 47.2 1.0
CL A:CL314 5.0 52.7 1.0
CD1 A:TYR79 5.0 30.5 1.0

Chlorine binding site 4 out of 20 in 8cp8

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Chlorine binding site 4 out of 20 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


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 An 8-Repeat Consensus Tpr Superhelix with Lead within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl311

b:68.8
occ:1.00
PB A:PB327 2.5 55.8 0.6
O A:HOH420 2.8 58.6 0.5
O A:HOH402 2.9 50.3 1.0
OE1 A:GLU53 3.3 51.0 1.0
OE1 A:GLU56 3.8 45.2 1.0
O A:HOH438 3.8 48.8 1.0
CD A:GLU53 4.3 48.5 1.0
CD A:GLU56 4.6 45.3 1.0
OE2 A:GLU56 4.7 48.3 1.0
OE2 A:GLU53 4.7 50.7 1.0
CL A:CL315 5.0 71.5 1.0

Chlorine binding site 5 out of 20 in 8cp8

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Chlorine binding site 5 out of 20 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


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 An 8-Repeat Consensus Tpr Superhelix with Lead within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl312

b:74.9
occ:1.00
O B:HOH432 3.0 40.4 1.0
O A:HOH415 3.8 39.0 1.0
O A:LYS81 3.9 32.2 1.0
N A:GLY83 4.0 28.5 1.0
CA A:GLY83 4.1 28.0 1.0
C A:GLN82 4.3 30.6 1.0
OH A:TYR85 4.3 30.1 1.0
O A:GLN82 4.5 30.3 1.0
OE1 B:GLN59 4.7 38.8 1.0
C A:LYS81 4.7 30.9 1.0
CG2 B:ILE55 4.8 22.6 1.0
NE2 B:GLN59 5.0 37.6 1.0
O A:HOH426 5.0 50.7 1.0

Chlorine binding site 6 out of 20 in 8cp8

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Chlorine binding site 6 out of 20 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


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 An 8-Repeat Consensus Tpr Superhelix with Lead within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl313

b:63.0
occ:1.00
PB A:PB322 2.5 56.1 0.8
OD1 A:ASP52 3.0 50.8 1.0
OD1 A:ASP50 3.4 45.4 1.0
CG A:ASP50 3.9 44.6 1.0
CA A:ASP50 4.1 41.1 1.0
CG A:ASP52 4.1 47.3 1.0
CB A:ASP50 4.5 42.8 1.0
O A:GLY49 4.5 40.9 1.0
OD2 A:ASP50 4.5 46.6 1.0
N A:TYR51 4.6 38.9 1.0
C A:ASP50 4.7 39.6 1.0
OD2 A:ASP52 4.7 49.4 1.0
O A:HOH412 4.8 44.5 1.0

Chlorine binding site 7 out of 20 in 8cp8

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Chlorine binding site 7 out of 20 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


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 An 8-Repeat Consensus Tpr Superhelix with Lead within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl314

b:52.7
occ:1.00
PB A:PB323 2.5 31.1 0.9
O B:HOH448 3.0 47.2 1.0
O A:GLN82 3.0 30.3 1.0
OD2 B:ASP84 3.1 31.5 1.0
OE1 B:GLN82 3.2 39.3 1.0
OD1 A:ASP84 3.3 28.1 1.0
OD2 A:ASP84 3.3 30.2 1.0
O A:HOH447 3.5 71.4 1.0
CG A:ASP84 3.5 28.1 1.0
C A:GLN82 4.0 30.6 1.0
CD B:GLN82 4.0 37.3 1.0
CG B:ASP84 4.1 30.6 1.0
CB A:GLN82 4.1 33.6 1.0
NE2 B:GLN82 4.3 38.8 1.0
OD1 B:ASP84 4.4 30.6 1.0
CA A:GLN82 4.6 31.5 1.0
N A:ASP84 4.7 26.3 1.0
CB A:ASP84 4.8 27.2 1.0
NE2 A:GLN82 4.8 37.5 1.0
C A:GLY83 4.8 26.9 1.0
CL A:CL310 5.0 54.4 1.0
N A:GLY83 5.0 28.5 1.0

Chlorine binding site 8 out of 20 in 8cp8

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Chlorine binding site 8 out of 20 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


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 An 8-Repeat Consensus Tpr Superhelix with Lead within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl315

b:71.5
occ:1.00
PB A:PB322 2.5 56.1 0.8
O A:HOH404 2.8 68.2 0.5
O A:HOH402 3.1 50.3 1.0
OD2 A:ASP52 3.2 49.4 1.0
OE1 A:GLU53 3.2 51.0 1.0
CG A:GLU53 3.6 45.4 1.0
CD A:GLU53 3.7 48.5 1.0
O A:HOH420 3.8 58.6 0.5
OD1 A:ASP50 4.0 45.4 1.0
OD2 A:ASP50 4.0 46.6 1.0
CG A:ASP52 4.1 47.3 1.0
OD1 A:ASP52 4.2 50.8 1.0
CG A:ASP50 4.4 44.6 1.0
OE2 A:GLU53 4.7 50.7 1.0
CL A:CL311 5.0 68.8 1.0
CB A:GLU53 5.0 43.3 1.0

Chlorine binding site 9 out of 20 in 8cp8

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Chlorine binding site 9 out of 20 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


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 An 8-Repeat Consensus Tpr Superhelix with Lead within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl316

b:65.3
occ:1.00
PB A:PB326 2.5 46.8 0.6
OD1 A:ASP118 3.3 34.9 1.0
O B:HOH420 3.3 38.0 1.0
CL A:CL308 3.4 52.9 1.0
OE1 B:GLN93 3.7 39.1 1.0
OE1 B:GLU90 3.8 39.1 1.0
O B:HOH412 3.8 41.5 1.0
OE2 B:GLU90 3.9 39.4 1.0
O A:HOH436 4.1 32.1 1.0
CD B:GLU90 4.2 36.2 1.0
CG A:ASP118 4.3 34.1 1.0
OD2 A:ASP118 4.6 37.1 1.0
O A:HOH430 4.7 52.0 1.0
CD B:GLN93 4.9 36.0 1.0
CL A:CL317 5.0 70.8 1.0

Chlorine binding site 10 out of 20 in 8cp8

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Chlorine binding site 10 out of 20 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


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 An 8-Repeat Consensus Tpr Superhelix with Lead within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl317

b:70.8
occ:1.00
PB A:PB326 2.6 46.8 0.6
O A:HOH430 2.9 52.0 1.0
O A:HOH443 2.9 50.2 1.0
OD2 A:ASP118 3.0 37.1 1.0
OE1 A:GLN116 3.0 48.1 1.0
OE1 B:GLU90 3.1 39.1 1.0
PB A:PB324 3.3 46.3 0.4
CD B:GLU90 3.5 36.2 1.0
OE2 B:GLU90 3.7 39.4 1.0
CD A:GLN116 4.1 43.1 1.0
CG A:ASP118 4.1 34.1 1.0
OD1 A:ASP86 4.3 41.7 1.0
CG B:GLU90 4.4 34.6 1.0
OD1 A:ASP118 4.6 34.9 1.0
NE2 A:GLN116 4.6 45.1 1.0
CE1 A:TYR113 4.6 30.1 1.0
CL A:CL308 5.0 52.9 1.0
CD1 A:TYR113 5.0 29.2 1.0
CL A:CL316 5.0 65.3 1.0

Reference:

M.Liutkus, A.L.Rojas, I.R.Sasselli, A.L.Cortajarena. Diverse Crystalline Protein Scaffolds Through Metal-Dependent Polymorphism. To Be Published.
Page generated: Tue Jul 30 08:05:18 2024

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