Atomistry » Chlorine » PDB 5ibn-5ilr » 5ij8
Atomistry »
  Chlorine »
    PDB 5ibn-5ilr »
      5ij8 »

Chlorine in PDB 5ij8: Structure of the Primary Oncogenic Mutant Y641N Hs/ACPRC2 in Complex with A Pyridone Inhibitor

Enzymatic activity of Structure of the Primary Oncogenic Mutant Y641N Hs/ACPRC2 in Complex with A Pyridone Inhibitor

All present enzymatic activity of Structure of the Primary Oncogenic Mutant Y641N Hs/ACPRC2 in Complex with A Pyridone Inhibitor:
2.1.1.43;

Protein crystallography data

The structure of Structure of the Primary Oncogenic Mutant Y641N Hs/ACPRC2 in Complex with A Pyridone Inhibitor, PDB code: 5ij8 was solved by K.S.Gajiwala, A.Brooun, Y.-L.Deng, W.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 91.28 / 2.99
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 71.331, 115.133, 153.939, 90.00, 103.35, 90.00
R / Rfree (%) 18.8 / 24

Other elements in 5ij8:

The structure of Structure of the Primary Oncogenic Mutant Y641N Hs/ACPRC2 in Complex with A Pyridone Inhibitor also contains other interesting chemical elements:

Zinc (Zn) 14 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Primary Oncogenic Mutant Y641N Hs/ACPRC2 in Complex with A Pyridone Inhibitor (pdb code 5ij8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of the Primary Oncogenic Mutant Y641N Hs/ACPRC2 in Complex with A Pyridone Inhibitor, PDB code: 5ij8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5ij8

Go back to Chlorine Binding Sites List in 5ij8
Chlorine binding site 1 out of 4 in the Structure of the Primary Oncogenic Mutant Y641N Hs/ACPRC2 in Complex with A Pyridone Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Primary Oncogenic Mutant Y641N Hs/ACPRC2 in Complex with A Pyridone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl9001

b:53.8
occ:1.00
 CL7 A:6BN9001 0.0 53.8 1.0
C6 A:6BN9001 1.7 47.1 1.0
C1 A:6BN9001 2.7 45.4 1.0
C5 A:6BN9001 2.7 48.0 1.0
O25 A:6BN9001 2.8 48.1 1.0
O23 A:6BN9001 3.0 48.6 1.0
C8 A:6BN9001 3.1 48.1 1.0
C2 A:6BN9001 4.0 43.9 1.0
CG2 A:THR678 4.0 43.5 1.0
C4 A:6BN9001 4.0 45.8 1.0
CB A:TYR111 4.0 40.8 1.0
CE2 A:PHE665 4.1 50.7 1.0
O A:THR678 4.1 52.0 1.0
C26 A:6BN9001 4.2 43.4 1.0
N9 A:6BN9001 4.4 44.5 1.0
CD2 A:TYR111 4.4 44.6 1.0
C3 A:6BN9001 4.5 46.9 1.0
CD2 A:PHE665 4.5 49.0 1.0
CG A:TYR111 4.6 43.4 1.0
C31 A:6BN9001 4.6 45.0 1.0
C21 A:6BN9001 4.6 27.9 1.0
N A:TYR111 4.7 40.1 1.0
NH2 A:ARG685 4.7 57.7 1.0
C27 A:6BN9001 4.8 39.8 1.0
CA A:THR678 4.8 44.7 1.0
CA A:TYR111 4.8 39.5 1.0
C A:THR678 4.8 51.4 1.0
NH1 A:ARG685 4.9 47.1 1.0
CB A:THR678 4.9 48.3 1.0
O A:TYR111 4.9 43.5 1.0

Chlorine binding site 2 out of 4 in 5ij8

Go back to Chlorine Binding Sites List in 5ij8
Chlorine binding site 2 out of 4 in the Structure of the Primary Oncogenic Mutant Y641N Hs/ACPRC2 in Complex with A Pyridone Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Primary Oncogenic Mutant Y641N Hs/ACPRC2 in Complex with A Pyridone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl9001

b:52.8
occ:1.00
 CL A:6BN9001 0.0 52.8 1.0
C3 A:6BN9001 1.7 46.9 1.0
C2 A:6BN9001 2.7 43.9 1.0
C4 A:6BN9001 2.7 45.8 1.0
C11 A:6BN9001 3.1 41.8 1.0
O A:TYR661 3.7 62.5 1.0
CB A:TYR661 3.7 52.1 1.0
C1 A:6BN9001 3.9 45.4 1.0
C5 A:6BN9001 4.0 48.0 1.0
CD1 A:TYR661 4.1 51.2 1.0
SG A:CYS663 4.2 69.2 1.0
CE2 A:TYR111 4.2 44.9 1.0
CG A:TYR661 4.4 50.5 1.0
CG2 A:ILE109 4.5 38.5 1.0
C10 A:6BN9001 4.5 41.8 1.0
C6 A:6BN9001 4.5 47.1 1.0
C A:TYR661 4.6 60.9 1.0
CA A:TYR661 4.6 53.3 1.0
CD2 A:TYR111 4.8 44.6 1.0

Chlorine binding site 3 out of 4 in 5ij8

Go back to Chlorine Binding Sites List in 5ij8
Chlorine binding site 3 out of 4 in the Structure of the Primary Oncogenic Mutant Y641N Hs/ACPRC2 in Complex with A Pyridone Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Primary Oncogenic Mutant Y641N Hs/ACPRC2 in Complex with A Pyridone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl9001

b:58.1
occ:1.00
 CL7 B:6BN9001 0.0 58.1 1.0
C6 B:6BN9001 1.7 54.4 1.0
C1 B:6BN9001 2.7 54.4 1.0
C5 B:6BN9001 2.7 50.1 1.0
O25 B:6BN9001 2.8 58.0 1.0
O23 B:6BN9001 3.0 47.0 1.0
C8 B:6BN9001 3.1 47.2 1.0
CG2 B:THR678 3.9 46.2 1.0
C2 B:6BN9001 4.0 51.1 1.0
C4 B:6BN9001 4.0 48.6 1.0
CB B:TYR111 4.0 44.7 1.0
CE2 B:PHE665 4.1 61.9 1.0
O B:THR678 4.1 55.7 1.0
C26 B:6BN9001 4.2 60.2 1.0
N9 B:6BN9001 4.4 47.2 1.0
CD2 B:TYR111 4.4 48.1 1.0
CD2 B:PHE665 4.5 59.1 1.0
C3 B:6BN9001 4.5 49.4 1.0
CG B:TYR111 4.6 46.9 1.0
C31 B:6BN9001 4.6 62.5 1.0
C21 B:6BN9001 4.6 36.0 1.0
N B:TYR111 4.7 44.0 1.0
NH2 B:ARG685 4.7 66.0 1.0
C27 B:6BN9001 4.8 64.0 1.0
CA B:THR678 4.8 50.2 1.0
C B:THR678 4.8 56.0 1.0
CA B:TYR111 4.9 42.9 1.0
O B:TYR111 4.9 46.4 1.0
CB B:THR678 4.9 52.8 1.0
NH1 B:ARG685 4.9 42.3 1.0

Chlorine binding site 4 out of 4 in 5ij8

Go back to Chlorine Binding Sites List in 5ij8
Chlorine binding site 4 out of 4 in the Structure of the Primary Oncogenic Mutant Y641N Hs/ACPRC2 in Complex with A Pyridone Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Primary Oncogenic Mutant Y641N Hs/ACPRC2 in Complex with A Pyridone Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl9001

b:51.9
occ:1.00
 CL B:6BN9001 0.0 51.9 1.0
C3 B:6BN9001 1.7 49.4 1.0
C2 B:6BN9001 2.7 51.1 1.0
C4 B:6BN9001 2.7 48.6 1.0
C11 B:6BN9001 3.1 46.1 1.0
O B:TYR661 3.8 68.2 1.0
CB B:TYR661 3.8 60.9 1.0
C1 B:6BN9001 3.9 54.4 1.0
C5 B:6BN9001 4.0 50.1 1.0
CD1 B:TYR661 4.1 63.4 1.0
SG B:CYS663 4.2 80.5 1.0
CE2 B:TYR111 4.2 49.1 1.0
CG B:TYR661 4.4 62.4 1.0
CG2 B:ILE109 4.5 42.7 1.0
C10 B:6BN9001 4.5 45.5 1.0
C6 B:6BN9001 4.5 54.4 1.0
C B:TYR661 4.6 69.0 1.0
CA B:TYR661 4.6 60.7 1.0
CD2 B:TYR111 4.8 48.1 1.0

Reference:

A.Brooun, K.S.Gajiwala, Y.L.Deng, W.Liu, B.Bolanos, P.Bingham, Y.A.He, W.Diehl, N.Grable, P.P.Kung, S.Sutton, K.A.Maegley, X.Yu, A.E.Stewart. Polycomb Repressive Complex 2 Structure with Inhibitor Reveals A Mechanism of Activation and Drug Resistance. Nat Commun V. 7 11384 2016.
ISSN: ESSN 2041-1723
PubMed: 27122193
DOI: 10.1038/NCOMMS11384
Page generated: Fri Jul 26 09:20:57 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy