Chlorine in PDB 4mdk: CDC34-Ubiquitin-CC0651 Complex

Enzymatic activity of CDC34-Ubiquitin-CC0651 Complex

All present enzymatic activity of CDC34-Ubiquitin-CC0651 Complex:
6.3.2.19;

Protein crystallography data

The structure of CDC34-Ubiquitin-CC0651 Complex, PDB code: 4mdk was solved by D.F.Ceccarelli, S.Orlicky, M.Tyers, F.Sicheri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.63 / 2.61
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 55.403, 72.220, 75.912, 71.89, 79.63, 81.61
R / Rfree (%) 20.4 / 25.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the CDC34-Ubiquitin-CC0651 Complex (pdb code 4mdk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the CDC34-Ubiquitin-CC0651 Complex, PDB code: 4mdk:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 4mdk

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Chlorine binding site 1 out of 8 in the CDC34-Ubiquitin-CC0651 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of CDC34-Ubiquitin-CC0651 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:53.9
occ:1.00
 CL28 A:U94201 0.0 53.9 1.0
C26 A:U94201 1.7 52.4 1.0
C25 A:U94201 2.7 54.9 1.0
C27 A:U94201 2.7 52.1 1.0
CE2 A:PHE58 3.5 46.8 1.0
CD2 A:PHE58 3.6 45.8 1.0
CD1 A:TYR53 3.7 41.2 1.0
CG A:TYR53 3.9 51.8 1.0
C24 A:U94201 4.0 55.0 1.0
CG2 A:ILE45 4.0 49.5 1.0
C22 A:U94201 4.0 52.7 1.0
CA A:GLY47 4.0 54.8 1.0
CD2 A:LEU131 4.1 45.1 1.0
CB A:TYR53 4.2 51.0 1.0
CE1 A:TYR53 4.2 40.8 1.0
N A:GLY47 4.3 54.5 1.0
CZ A:PHE58 4.3 48.9 1.0
C23 A:U94201 4.5 52.8 1.0
CG A:PHE58 4.5 46.7 1.0
CG A:LEU131 4.5 47.9 1.0
CD2 A:TYR53 4.6 53.0 1.0
CZ A:TYR53 4.9 50.1 1.0
C A:PHE46 4.9 53.5 1.0
CD A:PRO48 4.9 60.3 1.0

Chlorine binding site 2 out of 8 in 4mdk

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Chlorine binding site 2 out of 8 in the CDC34-Ubiquitin-CC0651 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of CDC34-Ubiquitin-CC0651 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:54.8
occ:1.00
 CL29 A:U94201 0.0 54.8 1.0
C24 A:U94201 1.7 55.0 1.0
C25 A:U94201 2.7 54.9 1.0
C23 A:U94201 2.7 52.8 1.0
CA E:GLY47 3.7 54.3 1.0
CE1 A:PHE28 3.7 52.5 1.0
C26 A:U94201 4.0 52.4 1.0
CG1 A:ILE128 4.0 46.6 1.0
C22 A:U94201 4.0 52.7 1.0
CD1 A:ILE128 4.1 47.3 1.0
O A:GLU26 4.2 54.0 1.0
O E:GLY47 4.2 55.0 1.0
CG2 A:ILE128 4.3 45.7 1.0
CG A:PRO48 4.3 59.1 1.0
CD1 A:PHE28 4.4 52.1 1.0
C E:GLY47 4.5 54.5 1.0
O A:PHE46 4.5 56.0 1.0
C27 A:U94201 4.5 52.1 1.0
CZ A:PHE28 4.7 51.1 1.0
CB A:ILE128 4.7 44.8 1.0
CD A:PRO48 4.7 60.3 1.0
N E:GLY47 4.8 63.5 1.0
O A:GLY27 4.9 66.8 1.0

Chlorine binding site 3 out of 8 in 4mdk

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Chlorine binding site 3 out of 8 in the CDC34-Ubiquitin-CC0651 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of CDC34-Ubiquitin-CC0651 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:49.1
occ:1.00
 CL28 B:U94201 0.0 49.1 1.0
C26 B:U94201 1.7 57.5 1.0
C25 B:U94201 2.7 57.0 1.0
C27 B:U94201 2.7 59.7 1.0
CE2 B:PHE58 3.5 55.4 1.0
CD2 B:PHE58 3.5 55.6 1.0
CD1 B:TYR53 3.7 44.9 1.0
C24 B:U94201 4.0 56.6 1.0
CG B:TYR53 4.0 72.2 1.0
CG2 B:ILE45 4.0 45.5 1.0
C22 B:U94201 4.0 57.9 1.0
CB B:TYR53 4.2 45.7 1.0
CD1 B:LEU131 4.2 46.5 1.0
CA B:GLY47 4.3 48.1 1.0
CE1 B:TYR53 4.3 44.9 1.0
N B:GLY47 4.4 46.1 1.0
CZ B:PHE58 4.5 54.9 1.0
CG B:PHE58 4.5 52.2 1.0
C23 B:U94201 4.5 55.1 1.0
C B:PHE46 4.6 50.5 1.0
O B:PHE46 4.7 53.3 1.0
CD2 B:TYR53 4.7 46.2 1.0
CZ B:TYR53 5.0 55.4 1.0
CD2 B:LEU131 5.0 47.5 1.0

Chlorine binding site 4 out of 8 in 4mdk

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Chlorine binding site 4 out of 8 in the CDC34-Ubiquitin-CC0651 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of CDC34-Ubiquitin-CC0651 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:61.4
occ:1.00
 CL29 B:U94201 0.0 61.4 1.0
C24 B:U94201 1.7 56.6 1.0
C25 B:U94201 2.7 57.0 1.0
C23 B:U94201 2.7 55.1 1.0
CA F:GLY47 3.7 59.2 1.0
CE1 B:PHE28 3.8 57.2 1.0
CD1 B:ILE128 3.9 57.5 1.0
C26 B:U94201 4.0 57.5 1.0
O B:PHE46 4.0 53.3 1.0
C22 B:U94201 4.0 57.9 1.0
O F:GLY47 4.2 51.5 1.0
CG B:PRO48 4.2 57.0 1.0
CD1 B:PHE28 4.2 53.5 1.0
CG1 B:ILE128 4.2 52.4 1.0
O B:GLU26 4.3 56.8 1.0
CA B:GLY27 4.3 53.3 1.0
CD B:PRO48 4.4 55.4 1.0
C F:GLY47 4.5 60.5 1.0
C27 B:U94201 4.5 59.7 1.0
CG2 B:ILE128 4.5 47.1 1.0
C B:GLY27 4.8 52.3 1.0
N F:GLY47 4.9 63.1 1.0
CG2 B:ILE45 4.9 45.5 1.0
CZ B:PHE28 4.9 58.3 1.0
O B:GLY27 5.0 53.6 1.0
CB B:ILE128 5.0 50.7 1.0

Chlorine binding site 5 out of 8 in 4mdk

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Chlorine binding site 5 out of 8 in the CDC34-Ubiquitin-CC0651 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of CDC34-Ubiquitin-CC0651 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:54.4
occ:1.00
 CL28 C:U94201 0.0 54.4 1.0
C26 C:U94201 1.7 51.9 1.0
C25 C:U94201 2.7 51.7 1.0
C27 C:U94201 2.7 54.1 1.0
CE2 C:PHE58 3.5 47.5 1.0
CD2 C:PHE58 3.6 49.2 1.0
CG2 C:ILE45 3.9 46.0 1.0
CD1 C:TYR53 4.0 37.5 1.0
C24 C:U94201 4.0 53.4 1.0
C22 C:U94201 4.0 53.8 1.0
CA C:GLY47 4.1 51.9 1.0
CG C:TYR53 4.1 41.6 1.0
CD2 C:LEU131 4.2 46.6 1.0
N C:GLY47 4.3 55.6 1.0
CZ C:PHE58 4.3 44.9 1.0
CB C:TYR53 4.3 45.6 1.0
CG C:PHE58 4.4 47.9 1.0
CE1 C:TYR53 4.4 42.4 1.0
C23 C:U94201 4.5 53.9 1.0
C C:PHE46 4.7 56.4 1.0
CD2 C:TYR53 4.7 43.3 1.0
CG C:LEU131 4.8 47.0 1.0
O C:PHE46 4.8 59.9 1.0
CD C:PRO48 4.9 54.8 1.0
CE1 C:PHE58 5.0 45.6 1.0

Chlorine binding site 6 out of 8 in 4mdk

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Chlorine binding site 6 out of 8 in the CDC34-Ubiquitin-CC0651 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of CDC34-Ubiquitin-CC0651 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:61.5
occ:1.00
 CL29 C:U94201 0.0 61.5 1.0
C24 C:U94201 1.7 53.4 1.0
C25 C:U94201 2.7 51.7 1.0
C23 C:U94201 2.7 53.9 1.0
CA G:GLY47 3.6 64.3 1.0
CG C:PRO48 3.8 53.8 1.0
O G:GLY47 3.9 67.9 1.0
C26 C:U94201 4.0 51.9 1.0
C22 C:U94201 4.0 53.8 1.0
CE1 C:PHE28 4.0 50.9 1.0
CD1 C:ILE128 4.1 45.8 1.0
CG1 C:ILE128 4.2 46.2 1.0
C G:GLY47 4.3 65.6 1.0
CD C:PRO48 4.3 54.8 1.0
CG2 C:ILE128 4.3 39.7 1.0
O C:GLU26 4.3 74.4 1.0
O C:PHE46 4.4 59.9 1.0
C27 C:U94201 4.5 54.1 1.0
CD1 C:PHE28 4.6 56.9 1.0
N G:GLY47 4.8 65.8 1.0
CB C:ILE128 4.8 45.0 1.0
CA C:GLY27 5.0 75.5 1.0

Chlorine binding site 7 out of 8 in 4mdk

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Chlorine binding site 7 out of 8 in the CDC34-Ubiquitin-CC0651 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of CDC34-Ubiquitin-CC0651 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:55.0
occ:1.00
 CL28 D:U94201 0.0 55.0 1.0
C26 D:U94201 1.7 73.0 1.0
C27 D:U94201 2.7 72.4 1.0
C25 D:U94201 2.7 72.4 1.0
CE2 D:PHE58 3.5 49.3 1.0
CD2 D:PHE58 3.6 50.5 1.0
CG2 D:ILE45 3.7 55.4 1.0
CD1 D:TYR53 3.9 55.9 1.0
C22 D:U94201 4.0 69.1 1.0
C24 D:U94201 4.0 73.2 1.0
CA D:GLY47 4.0 50.0 1.0
CD2 D:LEU131 4.1 58.7 1.0
CG D:TYR53 4.1 56.6 1.0
CB D:TYR53 4.2 55.0 1.0
N D:GLY47 4.2 53.5 1.0
CZ D:PHE58 4.4 49.5 1.0
C D:PHE46 4.5 54.6 1.0
C23 D:U94201 4.5 70.0 1.0
O D:PHE46 4.5 56.4 1.0
CG D:PHE58 4.6 48.5 1.0
CE1 D:TYR53 4.6 54.3 1.0
CG D:LEU131 4.8 61.8 1.0
CD2 D:TYR53 4.9 56.0 1.0
CB D:ILE45 4.9 61.0 1.0

Chlorine binding site 8 out of 8 in 4mdk

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Chlorine binding site 8 out of 8 in the CDC34-Ubiquitin-CC0651 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of CDC34-Ubiquitin-CC0651 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:59.1
occ:1.00
 CL29 D:U94201 0.0 59.1 1.0
C24 D:U94201 1.7 73.2 1.0
C25 D:U94201 2.7 72.4 1.0
C23 D:U94201 2.7 70.0 1.0
CE1 D:PHE28 3.8 86.7 1.0
CA H:GLY47 3.9 64.8 1.0
CG1 D:ILE128 4.0 63.8 1.0
O D:PHE46 4.0 56.4 1.0
C26 D:U94201 4.0 73.0 1.0
C22 D:U94201 4.0 69.1 1.0
CG D:PRO48 4.1 64.3 1.0
CD1 D:ILE128 4.1 68.5 1.0
O H:GLY47 4.1 64.4 1.0
O D:GLU26 4.2 71.8 1.0
CA D:GLY27 4.2 74.5 1.0
CD1 D:PHE28 4.4 83.2 1.0
C27 D:U94201 4.5 72.4 1.0
C H:GLY47 4.5 63.0 1.0
CD D:PRO48 4.5 63.0 1.0
CG2 D:ILE128 4.6 59.4 1.0
CZ D:PHE28 4.8 86.7 1.0
O D:GLY27 4.8 75.9 1.0
C D:GLY27 4.8 72.2 1.0
CB D:ILE128 4.9 60.1 1.0

Reference:

H.Huang, D.F.Ceccarelli, S.Orlicky, D.J.St-Cyr, A.Ziemba, P.Garg, S.Plamondon, M.Auer, S.Sidhu, A.Marinier, G.Kleiger, M.Tyers, F.Sicheri. E2 Enzyme Inhibition By Stabilization of A Low-Affinity Interface with Ubiquitin. Nat.Chem.Biol. V. 10 156 2014.
ISSN: ISSN 1552-4450
PubMed: 24316736
DOI: 10.1038/NCHEMBIO.1412
Page generated: Sat Dec 12 10:55:22 2020

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