Atomistry » Chlorine » PDB 7lwe-7m2l » 7m2k
Atomistry »
  Chlorine »
    PDB 7lwe-7m2l »
      7m2k »

Chlorine in PDB 7m2k: CDC34A-Ubiquitin-2AB Inhibitor Complex

Enzymatic activity of CDC34A-Ubiquitin-2AB Inhibitor Complex

All present enzymatic activity of CDC34A-Ubiquitin-2AB Inhibitor Complex:
2.3.2.23; 2.3.2.24;

Protein crystallography data

The structure of CDC34A-Ubiquitin-2AB Inhibitor Complex, PDB code: 7m2k was solved by D.F.Ceccarelli, D.St-Cyr, M.Tyers, F.Sicheri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 67.30 / 2.47
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 55.8, 72, 76.5, 70.14, 79.12, 80.42
R / Rfree (%) 21.9 / 27.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the CDC34A-Ubiquitin-2AB Inhibitor Complex (pdb code 7m2k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the CDC34A-Ubiquitin-2AB Inhibitor Complex, PDB code: 7m2k:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 7m2k

Go back to Chlorine Binding Sites List in 7m2k
Chlorine binding site 1 out of 8 in the CDC34A-Ubiquitin-2AB Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of CDC34A-Ubiquitin-2AB Inhibitor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:81.7
occ:1.00
 CL1 A:GZM201 0.0 81.7 1.0
C26 A:GZM201 1.7 57.1 1.0
C18 A:GZM201 2.7 65.7 1.0
C27 A:GZM201 2.7 48.2 1.0
CD1 A:ILE128 3.6 61.7 1.0
CA B:GLY47 3.7 74.8 1.0
O B:GLY47 3.9 55.0 1.0
CG1 A:ILE128 3.9 55.4 1.0
C17 A:GZM201 4.0 62.6 1.0
C15 A:GZM201 4.0 65.8 1.0
CE1 A:PHE28 4.1 55.6 1.0
CG A:PRO48 4.2 62.6 1.0
CG2 A:ILE128 4.3 55.9 1.0
C B:GLY47 4.3 72.2 1.0
CD A:PRO48 4.3 61.4 1.0
O A:PHE46 4.4 65.0 1.0
C16 A:GZM201 4.5 57.3 1.0
CB A:ILE128 4.6 57.2 1.0
O A:GLU26 4.6 71.7 1.0
N B:GLY47 4.8 76.5 1.0
CB A:PRO48 4.9 57.7 1.0
CD1 A:PHE28 4.9 56.2 1.0
CG2 A:ILE45 5.0 59.2 1.0

Chlorine binding site 2 out of 8 in 7m2k

Go back to Chlorine Binding Sites List in 7m2k
Chlorine binding site 2 out of 8 in the CDC34A-Ubiquitin-2AB Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of CDC34A-Ubiquitin-2AB Inhibitor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:64.9
occ:1.00
 CL2 A:GZM201 0.0 64.9 1.0
C17 A:GZM201 1.7 62.6 1.0
C18 A:GZM201 2.7 65.7 1.0
C16 A:GZM201 2.7 57.3 1.0
CE2 A:PHE58 3.2 67.3 1.0
CD2 A:PHE58 3.5 57.7 1.0
C26 A:GZM201 4.0 57.1 1.0
C15 A:GZM201 4.0 65.8 1.0
CD2 A:TYR53 4.0 48.8 1.0
CB A:TYR53 4.1 49.8 1.0
CA A:GLY47 4.1 54.7 1.0
CZ A:PHE58 4.1 57.7 1.0
CG A:TYR53 4.1 51.4 1.0
CD1 A:LEU131 4.2 57.4 1.0
CG2 A:ILE45 4.3 59.2 1.0
N A:GLY47 4.4 65.5 1.0
CG A:PHE58 4.4 58.2 1.0
C27 A:GZM201 4.5 48.2 1.0
C A:PHE46 4.7 65.2 1.0
CE2 A:TYR53 4.8 56.8 1.0
CD A:PRO48 4.8 61.4 1.0
O A:PHE46 4.8 65.0 1.0
CD1 A:TYR53 4.9 56.0 1.0
CD2 A:LEU131 4.9 57.8 1.0
CE1 A:PHE58 5.0 57.9 1.0

Chlorine binding site 3 out of 8 in 7m2k

Go back to Chlorine Binding Sites List in 7m2k
Chlorine binding site 3 out of 8 in the CDC34A-Ubiquitin-2AB Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of CDC34A-Ubiquitin-2AB Inhibitor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:68.5
occ:1.00
 CL1 C:GZM201 0.0 68.5 1.0
C26 C:GZM201 1.7 58.5 1.0
C18 C:GZM201 2.7 71.0 1.0
C27 C:GZM201 2.8 54.1 1.0
CA D:GLY47 3.8 56.9 1.0
CG C:PRO48 3.8 60.2 1.0
O D:GLY47 3.9 60.3 1.0
CG1 C:ILE128 3.9 55.2 1.0
C17 C:GZM201 4.0 70.6 1.0
C15 C:GZM201 4.0 60.1 1.0
CE2 C:PHE28 4.1 67.6 1.0
CG2 C:ILE128 4.3 56.4 1.0
CD C:PRO48 4.3 70.3 1.0
C D:GLY47 4.3 59.8 1.0
O C:PHE46 4.4 62.0 1.0
CD1 C:ILE128 4.5 55.4 1.0
C16 C:GZM201 4.6 57.0 1.0
O C:GLU26 4.6 79.1 1.0
CB C:ILE128 4.6 58.6 1.0
CZ C:PHE28 4.8 69.0 1.0
CB C:PRO48 4.9 62.3 1.0
CD2 C:PHE28 4.9 56.0 1.0

Chlorine binding site 4 out of 8 in 7m2k

Go back to Chlorine Binding Sites List in 7m2k
Chlorine binding site 4 out of 8 in the CDC34A-Ubiquitin-2AB Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of CDC34A-Ubiquitin-2AB Inhibitor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:113.5
occ:1.00
 CL2 C:GZM201 0.0 113.5 1.0
C17 C:GZM201 1.7 70.6 1.0
C18 C:GZM201 2.6 71.0 1.0
C16 C:GZM201 2.7 57.0 1.0
CD2 C:TYR53 3.5 51.0 1.0
CG2 C:ILE45 3.5 68.4 1.0
CE1 C:PHE58 3.5 53.0 1.0
CD1 C:PHE58 3.6 53.5 1.0
CG C:TYR53 3.9 51.0 1.0
C26 C:GZM201 4.0 58.5 1.0
C15 C:GZM201 4.0 60.1 1.0
CB C:TYR53 4.0 51.5 1.0
CZ C:PHE58 4.2 52.7 1.0
CE2 C:TYR53 4.2 50.8 1.0
CD1 C:LEU131 4.2 53.4 1.0
CA C:GLY47 4.2 67.7 1.0
CG C:PHE58 4.3 59.5 1.0
C27 C:GZM201 4.5 54.1 1.0
N C:GLY47 4.5 80.7 1.0
CE2 C:PHE58 4.8 52.9 1.0
CD2 C:PHE58 4.9 65.6 1.0
C C:PHE46 4.9 71.6 1.0
CD C:PRO48 4.9 70.3 1.0
CD2 C:LEU131 4.9 54.0 1.0
CE C:MET81 4.9 73.3 1.0
O C:PHE46 4.9 62.0 1.0
CD1 C:TYR53 4.9 54.8 1.0
CB C:ILE45 5.0 60.8 1.0

Chlorine binding site 5 out of 8 in 7m2k

Go back to Chlorine Binding Sites List in 7m2k
Chlorine binding site 5 out of 8 in the CDC34A-Ubiquitin-2AB Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of CDC34A-Ubiquitin-2AB Inhibitor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl201

b:81.8
occ:1.00
 CL1 E:GZM201 0.0 81.8 1.0
C26 E:GZM201 1.7 65.8 1.0
C18 E:GZM201 2.6 62.0 1.0
C27 E:GZM201 2.7 66.6 1.0
CA F:GLY47 3.5 69.6 1.0
O F:GLY47 3.8 72.2 1.0
CG E:PRO48 3.9 72.6 1.0
C17 E:GZM201 3.9 65.1 1.0
C15 E:GZM201 4.0 63.9 1.0
CE1 E:PHE28 4.1 59.4 1.0
C F:GLY47 4.1 69.6 1.0
CG2 E:ILE128 4.2 52.6 1.0
CD E:PRO48 4.3 64.6 1.0
O E:PHE46 4.3 69.3 1.0
CG1 E:ILE128 4.4 52.5 1.0
C16 E:GZM201 4.5 55.4 1.0
O E:GLU26 4.5 81.2 1.0
CD1 E:PHE28 4.7 73.3 1.0
N F:GLY47 4.7 83.5 1.0
CA E:GLY27 4.8 75.4 1.0
CB E:ILE128 4.8 56.5 1.0
CB E:PRO48 4.9 70.2 1.0
CG2 E:ILE45 5.0 63.6 1.0
O E:GLY27 5.0 74.7 1.0

Chlorine binding site 6 out of 8 in 7m2k

Go back to Chlorine Binding Sites List in 7m2k
Chlorine binding site 6 out of 8 in the CDC34A-Ubiquitin-2AB Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of CDC34A-Ubiquitin-2AB Inhibitor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl201

b:61.5
occ:1.00
 CL2 E:GZM201 0.0 61.5 1.0
C17 E:GZM201 1.8 65.1 1.0
C18 E:GZM201 2.7 62.0 1.0
C16 E:GZM201 2.8 55.4 1.0
CE2 E:PHE58 3.2 70.7 1.0
CD2 E:PHE58 3.3 55.6 1.0
CD2 E:TYR53 3.7 53.4 1.0
CB E:TYR53 3.9 55.2 1.0
CG E:TYR53 3.9 56.7 1.0
C26 E:GZM201 4.0 65.8 1.0
CZ E:PHE58 4.0 66.1 1.0
C15 E:GZM201 4.1 63.9 1.0
CG2 E:ILE45 4.2 63.6 1.0
CG E:PHE58 4.2 56.7 1.0
CA E:GLY47 4.2 60.9 1.0
CD1 E:LEU131 4.4 59.8 1.0
N E:GLY47 4.5 59.2 1.0
CE2 E:TYR53 4.5 52.0 1.0
C27 E:GZM201 4.6 66.6 1.0
C E:PHE46 4.8 62.7 1.0
CD2 E:LEU131 4.8 63.0 1.0
CE1 E:PHE58 4.8 58.1 1.0
CD1 E:TYR53 4.8 59.7 1.0
CD1 E:PHE58 4.9 54.6 1.0
O E:PHE46 4.9 69.3 1.0
CD E:PRO48 5.0 64.6 1.0

Chlorine binding site 7 out of 8 in 7m2k

Go back to Chlorine Binding Sites List in 7m2k
Chlorine binding site 7 out of 8 in the CDC34A-Ubiquitin-2AB Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of CDC34A-Ubiquitin-2AB Inhibitor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl201

b:75.2
occ:1.00
 CL1 G:GZM201 0.0 75.2 1.0
C26 G:GZM201 1.7 72.5 1.0
C18 G:GZM201 2.7 55.9 1.0
C27 G:GZM201 2.7 70.8 1.0
CG2 G:ILE128 3.4 79.2 1.0
CA H:GLY47 3.5 72.3 1.0
O H:GLY47 3.7 71.7 1.0
C17 G:GZM201 4.0 64.5 1.0
C15 G:GZM201 4.0 73.5 1.0
CD1 G:ILE128 4.0 58.7 1.0
C H:GLY47 4.1 62.5 1.0
CE1 G:PHE28 4.2 65.5 1.0
CG G:PRO48 4.3 81.1 1.0
CD G:PRO48 4.3 73.5 1.0
CG1 G:ILE128 4.3 63.5 1.0
O G:PHE46 4.4 67.1 1.0
CB G:ILE128 4.4 61.5 1.0
O G:GLU26 4.5 72.8 1.0
C16 G:GZM201 4.5 70.5 1.0
CB G:PRO48 4.5 73.2 1.0
N H:GLY47 4.8 77.7 1.0
CD1 G:PHE28 4.8 68.0 1.0

Chlorine binding site 8 out of 8 in 7m2k

Go back to Chlorine Binding Sites List in 7m2k
Chlorine binding site 8 out of 8 in the CDC34A-Ubiquitin-2AB Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of CDC34A-Ubiquitin-2AB Inhibitor Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl201

b:60.8
occ:1.00
 CL2 G:GZM201 0.0 60.8 1.0
C17 G:GZM201 1.8 64.5 1.0
C18 G:GZM201 2.8 55.9 1.0
C16 G:GZM201 2.9 70.5 1.0
CE2 G:PHE58 3.1 62.3 1.0
CD2 G:PHE58 3.3 64.8 1.0
CG2 G:ILE45 3.5 59.7 1.0
CD2 G:TYR53 3.9 55.0 1.0
CB G:TYR53 3.9 58.5 1.0
CZ G:PHE58 3.9 58.1 1.0
CD1 G:LEU131 4.0 71.1 1.0
CA G:GLY47 4.0 62.9 1.0
CG G:TYR53 4.0 65.8 1.0
C26 G:GZM201 4.1 72.5 1.0
C15 G:GZM201 4.2 73.5 1.0
CG G:PHE58 4.2 61.9 1.0
N G:GLY47 4.3 68.5 1.0
C G:PHE46 4.6 60.4 1.0
C27 G:GZM201 4.6 70.8 1.0
O G:PHE46 4.7 67.1 1.0
CD G:PRO48 4.7 73.5 1.0
CE2 G:TYR53 4.7 54.2 1.0
CB G:ILE45 4.8 60.4 1.0
CE1 G:PHE58 4.8 59.6 1.0
CD1 G:PHE58 4.9 55.6 1.0
CD1 G:TYR53 5.0 57.3 1.0

Reference:

D.St-Cyrt, D.F.Ceccarelli, S.Orlicky, A.M.Van Der Sloot, X.Tang, S.Kelso, S.Moore, C.James, G.Posternak, J.Coulombe-Huntington, T.Bertomeu, A.Marinier, F.Sicheri, M.Tyers. Identification and Optimization of Molecular Glue Compounds That Inhibit A Noncovalent E2 Enzyme-Ubiquitin Complex Sci Adv V. 7 2021.
ISSN: ESSN 2375-2548
DOI: 10.1126/SCIADV.ABI5797
Page generated: Tue Jul 30 00:22:48 2024

Last articles

Mg in 4Y52
Mg in 4Y30
Mg in 4Y2V
Mg in 4Y2X
Mg in 4Y2Y
Mg in 4Y2U
Mg in 4Y2T
Mg in 4Y2Q
Mg in 4Y2R
Mg in 4Y2S
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy