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Lead 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:

Chlorine (Cl) 20 atoms

Lead Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Lead 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 Lead atom.
In total 13 binding sites of Lead where determined in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead, PDB code: 8cp8:
Jump to Lead binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Lead binding site 1 out of 13 in 8cp8

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Lead binding site 1 out of 13 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb 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:Pb321

b:31.5
occ:1.00
OE2 A:GLU19 2.3 28.9 1.0
OD2 A:ASP18 2.4 31.9 1.0
CL A:CL309 2.6 52.0 1.0
OE1 A:GLU19 2.8 30.9 1.0
CD A:GLU19 2.9 29.7 1.0
CG A:ASP18 3.3 32.5 1.0
OD1 A:ASP18 3.4 35.1 1.0
CL A:CL319 4.2 93.9 1.0
CG A:GLU19 4.4 29.4 1.0
CL A:CL318 4.4 74.1 1.0
O A:HOH425 4.6 34.0 1.0
CB A:ASP18 4.7 31.1 1.0
OD1 A:ASP16 4.8 30.9 1.0
O A:HOH407 4.8 37.8 1.0

Lead binding site 2 out of 13 in 8cp8

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Lead binding site 2 out of 13 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb 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:Pb322

b:56.1
occ:0.80
OD1 A:ASP52 2.4 50.8 1.0
OD1 A:ASP50 2.5 45.4 1.0
CL A:CL313 2.5 63.0 1.0
CL A:CL315 2.5 71.5 1.0
OD2 A:ASP52 2.9 49.4 1.0
CG A:ASP52 3.0 47.3 1.0
CG A:ASP50 3.2 44.6 1.0
OD2 A:ASP50 3.4 46.6 1.0
O A:HOH404 3.7 68.2 0.5
CG A:GLU53 4.2 45.4 1.0
CB A:ASP52 4.5 45.5 1.0
CB A:ASP50 4.5 42.8 1.0
O A:HOH402 4.6 50.3 1.0
CA A:ASP50 4.8 41.1 1.0
N A:GLU53 4.8 40.8 1.0
OE1 A:GLU53 4.9 51.0 1.0

Lead binding site 3 out of 13 in 8cp8

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Lead binding site 3 out of 13 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb 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:Pb323

b:31.1
occ:0.90
OD1 A:ASP84 2.4 28.1 1.0
OD1 B:ASP84 2.5 30.6 1.0
CL A:CL314 2.5 52.7 1.0
CL A:CL310 2.6 54.4 1.0
OD2 B:ASP84 2.6 31.5 1.0
OD2 A:ASP84 2.8 30.2 1.0
O B:HOH448 2.8 47.2 1.0
CG A:ASP84 2.9 28.1 1.0
CG B:ASP84 2.9 30.6 1.0
O B:HOH444 3.1 44.2 1.0
O B:HOH404 3.7 46.3 1.0
O A:HOH447 4.3 71.4 1.0
CB A:ASP84 4.4 27.2 1.0
CB B:ASP84 4.4 29.6 1.0
PB B:PB314 4.4 31.7 1.0
OE1 B:GLN82 4.6 39.3 1.0
CL B:CL311 4.9 56.9 1.0
NE2 A:GLN82 4.9 37.5 1.0

Lead binding site 4 out of 13 in 8cp8

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Lead binding site 4 out of 13 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb 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:Pb324

b:46.3
occ:0.40
OD1 A:ASP86 2.2 41.7 1.0
OD2 A:ASP86 2.7 41.6 1.0
CG A:ASP86 2.8 37.6 1.0
NE2 A:GLN116 2.9 45.1 1.0
O B:HOH405 3.0 35.3 1.0
CG B:GLU90 3.1 34.6 1.0
CL A:CL317 3.3 70.8 1.0
OE1 A:GLN116 3.3 48.1 1.0
OE1 B:GLU90 3.4 39.1 1.0
CD B:GLU90 3.5 36.2 1.0
CD A:GLN116 3.5 43.1 1.0
O A:HOH443 4.0 50.2 1.0
O B:ASP86 4.0 29.7 1.0
CB A:ASP86 4.2 34.1 1.0
OE2 B:GLU90 4.4 39.4 1.0
CB B:GLU90 4.5 31.9 1.0
C B:ASP86 4.7 29.6 1.0
PB A:PB326 4.9 46.8 0.6
CA A:ASP86 4.9 32.7 1.0
CG A:GLN116 4.9 40.5 1.0
O A:HOH446 5.0 55.6 1.0

Lead binding site 5 out of 13 in 8cp8

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Lead binding site 5 out of 13 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb 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:Pb325

b:29.7
occ:0.90
OE2 A:GLU121 2.4 34.6 1.0
OD1 A:ASP120 2.5 29.2 1.0
OD2 A:ASP120 2.5 27.4 1.0
O A:HOH436 2.5 32.1 1.0
CL A:CL308 2.6 52.9 1.0
OE1 A:GLU121 2.6 31.9 1.0
CG A:ASP120 2.8 27.2 1.0
CD A:GLU121 2.9 31.9 1.0
CB A:ASP120 4.3 27.1 1.0
CG A:GLU121 4.4 30.2 1.0
OD1 A:ASP118 4.8 34.9 1.0
N A:GLU121 4.8 26.4 1.0
O A:HOH439 4.8 38.3 1.0
O A:HOH430 4.8 52.0 1.0
CB A:ASP118 4.8 31.9 1.0

Lead binding site 6 out of 13 in 8cp8

Go back to Lead Binding Sites List in 8cp8
Lead binding site 6 out of 13 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb 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:Pb326

b:46.8
occ:0.60
OE1 B:GLU90 2.5 39.1 1.0
OE2 B:GLU90 2.5 39.4 1.0
OD2 A:ASP118 2.5 37.1 1.0
CL A:CL316 2.5 65.3 1.0
CL A:CL317 2.6 70.8 1.0
OD1 A:ASP118 2.7 34.9 1.0
CD B:GLU90 2.8 36.2 1.0
CG A:ASP118 2.9 34.1 1.0
O A:HOH430 3.0 52.0 1.0
CL A:CL308 3.4 52.9 1.0
O B:HOH412 3.8 41.5 1.0
CG B:GLU90 4.3 34.6 1.0
O B:HOH420 4.3 38.0 1.0
CB A:ASP118 4.4 31.9 1.0
OE1 A:GLN116 4.5 48.1 1.0
O A:HOH436 4.9 32.1 1.0
PB A:PB324 4.9 46.3 0.4
OE1 B:GLN93 5.0 39.1 1.0

Lead binding site 7 out of 13 in 8cp8

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Lead binding site 7 out of 13 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb 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:Pb327

b:55.8
occ:0.60
OE1 A:GLU56 2.4 45.2 1.0
CL A:CL311 2.5 68.8 1.0
OE1 A:GLU53 2.7 51.0 1.0
O A:HOH420 2.7 58.6 0.5
OE2 A:GLU53 2.8 50.7 1.0
CD A:GLU53 3.1 48.5 1.0
OH A:TYR57 3.2 45.4 1.0
CD A:GLU56 3.3 45.3 1.0
OE2 A:GLU56 3.5 48.3 1.0
CZ A:TYR57 4.0 44.8 1.0
O A:HOH402 4.1 50.3 1.0
O A:HOH438 4.1 48.8 1.0
CE2 A:TYR57 4.5 44.5 1.0
CG A:GLU53 4.6 45.4 1.0
CG A:GLU56 4.8 43.3 1.0
CE1 A:TYR57 4.9 44.7 1.0

Lead binding site 8 out of 13 in 8cp8

Go back to Lead Binding Sites List in 8cp8
Lead binding site 8 out of 13 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb 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
B:Pb314

b:31.7
occ:1.00
OD2 B:ASP86 2.4 34.5 1.0
OE2 B:GLU87 2.4 33.8 1.0
CL B:CL311 2.6 56.9 1.0
OE1 A:GLU87 2.6 33.4 1.0
OE2 A:GLU87 2.8 37.4 1.0
OD1 B:ASP86 2.8 33.4 1.0
OE1 B:GLU87 2.9 34.7 1.0
CG B:ASP86 2.9 32.8 1.0
CD B:GLU87 3.0 31.9 1.0
CD A:GLU87 3.0 34.5 1.0
OD1 A:ASP84 3.0 28.1 1.0
OD1 B:ASP84 3.2 30.6 1.0
CG B:ASP84 3.8 30.6 1.0
CG A:ASP84 3.8 28.1 1.0
CL A:CL310 3.8 54.4 1.0
CB A:ASP84 4.0 27.2 1.0
O B:HOH443 4.1 65.8 1.0
CB B:ASP84 4.2 29.6 1.0
O B:HOH404 4.3 46.3 1.0
CA A:ASP84 4.3 26.7 1.0
PB A:PB323 4.4 31.1 0.9
CB B:ASP86 4.4 31.2 1.0
CG B:GLU87 4.5 31.0 1.0
CG A:GLU87 4.5 33.5 1.0
OD2 B:ASP84 4.5 31.5 1.0
CA B:ASP84 4.6 29.6 1.0
CB A:ASP86 4.7 34.1 1.0
O B:HOH422 4.7 53.4 1.0
OD2 A:ASP84 4.8 30.2 1.0
C A:ASP84 4.9 26.8 1.0
N B:GLU87 5.0 29.0 1.0

Lead binding site 9 out of 13 in 8cp8

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Lead binding site 9 out of 13 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb 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
B:Pb315

b:37.6
occ:0.80
OD2 B:ASP18 2.4 35.5 1.0
OE2 B:GLU19 2.4 38.5 1.0
CL B:CL310 2.5 58.5 1.0
OE1 B:GLU19 2.6 35.4 1.0
O B:HOH446 2.7 46.0 1.0
OD1 B:ASP18 2.8 36.6 1.0
CD B:GLU19 2.8 34.3 1.0
CG B:ASP18 2.9 33.5 1.0
OD1 B:ASP16 4.3 38.0 1.0
CG B:GLU19 4.3 32.2 1.0
CB B:ASP18 4.4 31.4 1.0
CG B:ASP16 4.6 35.1 1.0
CB B:ASP16 4.7 31.6 1.0
N B:GLU19 4.8 28.8 1.0
O B:HOH431 4.9 30.2 1.0
O B:HOH409 5.0 51.1 1.0
CA B:ASP16 5.0 29.4 1.0

Lead binding site 10 out of 13 in 8cp8

Go back to Lead Binding Sites List in 8cp8
Lead binding site 10 out of 13 in the Crystal Structure of An 8-Repeat Consensus Tpr Superhelix with Lead


Mono view


Stereo pair view

A full contact list of Lead with other atoms in the Pb 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
B:Pb316

b:41.0
occ:0.50
OD1 B:ASP120 2.2 43.1 1.0
OD1 B:ASP118 2.5 33.7 1.0
CL B:CL309 2.5 60.8 1.0
CG B:ASP120 3.0 38.9 1.0
OD2 B:ASP120 3.1 44.0 1.0
CG B:ASP118 3.3 35.2 1.0
OD2 B:ASP118 3.3 36.1 1.0
O B:HOH421 3.6 46.1 1.0
OE1 B:GLU121 4.0 41.7 1.0
CG B:GLU121 4.0 34.0 1.0
CB B:ASP120 4.4 36.4 1.0
CD B:GLU121 4.5 36.5 1.0
CL B:CL308 4.6 74.7 1.0
N B:GLU121 4.6 29.6 1.0
CB B:ASP118 4.7 33.5 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: Thu Oct 10 10:14:38 2024

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