Zinc in PDB 8a31: P53 Cancer Mutant Y220C in Complex with Iodophenol-Based Small- Molecule Stabilizer JC694

Protein crystallography data

The structure of P53 Cancer Mutant Y220C in Complex with Iodophenol-Based Small- Molecule Stabilizer JC694, PDB code: 8a31 was solved by D.I.Balourdas, J.R.Stephenson Clarke, M.G.J.Baud, S.Knapp, A.C.Joerger, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.98 / 1.46
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 64.981, 71.063, 105.089, 90, 90, 90
R / Rfree (%) 15.7 / 19.1

Other elements in 8a31:

The structure of P53 Cancer Mutant Y220C in Complex with Iodophenol-Based Small- Molecule Stabilizer JC694 also contains other interesting chemical elements:

Fluorine (F) 3 atoms
Iodine (I) 6 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the P53 Cancer Mutant Y220C in Complex with Iodophenol-Based Small- Molecule Stabilizer JC694 (pdb code 8a31). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the P53 Cancer Mutant Y220C in Complex with Iodophenol-Based Small- Molecule Stabilizer JC694, PDB code: 8a31:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 8a31

Go back to Zinc Binding Sites List in 8a31
Zinc binding site 1 out of 2 in the P53 Cancer Mutant Y220C in Complex with Iodophenol-Based Small- Molecule Stabilizer JC694


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of P53 Cancer Mutant Y220C in Complex with Iodophenol-Based Small- Molecule Stabilizer JC694 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn402

b:16.1
occ:1.00
ND1 A:HIS179 2.0 16.3 1.0
SG A:CYS238 2.3 18.8 0.8
SG A:CYS242 2.3 17.4 1.0
SG A:CYS176 2.3 15.6 1.0
SG A:CYS238 2.5 13.6 0.2
CE1 A:HIS179 2.9 16.4 1.0
CG A:HIS179 3.1 15.5 1.0
CB A:CYS242 3.1 18.1 1.0
CB A:CYS238 3.3 13.7 0.2
CB A:CYS176 3.3 15.5 1.0
CB A:CYS238 3.4 16.9 0.8
CB A:HIS179 3.4 14.5 1.0
CA A:CYS238 3.8 15.0 0.8
CA A:CYS238 3.8 13.7 0.2
O A:HOH707 4.0 35.7 1.0
N A:CYS176 4.0 14.1 1.0
NE2 A:HIS179 4.1 16.9 1.0
CD2 A:HIS179 4.2 17.2 1.0
CA A:CYS176 4.3 14.5 1.0
N A:HIS179 4.3 15.6 1.0
N A:TYR239 4.4 14.8 1.0
CA A:HIS179 4.5 15.1 1.0
CA A:CYS242 4.5 16.7 1.0
C A:CYS238 4.6 14.2 0.2
C A:CYS238 4.7 15.2 0.8
O A:HOH606 4.7 18.8 1.0
O A:MET237 4.7 14.0 1.0
C A:CYS176 5.0 15.2 1.0

Zinc binding site 2 out of 2 in 8a31

Go back to Zinc Binding Sites List in 8a31
Zinc binding site 2 out of 2 in the P53 Cancer Mutant Y220C in Complex with Iodophenol-Based Small- Molecule Stabilizer JC694


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of P53 Cancer Mutant Y220C in Complex with Iodophenol-Based Small- Molecule Stabilizer JC694 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn403

b:16.5
occ:1.00
ND1 B:HIS179 2.0 16.9 1.0
SG B:CYS176 2.3 15.7 1.0
SG B:CYS242 2.3 17.4 1.0
SG B:CYS238 2.3 16.7 1.0
CE1 B:HIS179 3.0 17.1 1.0
CG B:HIS179 3.1 16.1 1.0
CB B:CYS242 3.1 16.7 1.0
CB B:CYS238 3.3 14.8 1.0
CB B:CYS176 3.4 15.1 1.0
CB B:HIS179 3.4 15.0 1.0
CA B:CYS238 3.8 13.8 1.0
N B:CYS176 4.0 14.2 1.0
NE2 B:HIS179 4.1 18.1 1.0
CD2 B:HIS179 4.2 17.8 1.0
CA B:CYS176 4.3 15.1 1.0
N B:HIS179 4.3 16.4 1.0
N B:TYR239 4.4 15.8 1.0
CA B:HIS179 4.5 15.0 1.0
CA B:CYS242 4.5 15.7 1.0
O B:MET237 4.6 14.8 1.0
C B:CYS238 4.7 15.3 1.0
O B:HOH619 4.7 16.1 1.0
N B:CYS238 5.0 13.1 1.0

Reference:

J.R.Stephenson Clarke, L.R.Douglas, P.J.Duriez, D.I.Balourdas, A.C.Joerger, R.Khadiullina, E.Bulatov, M.G.J.Baud. Discovery of Nanomolar-Affinity Pharmacological Chaperones Stabilizing the Oncogenic P53 Mutant Y220C. Acs Pharmacol Transl Sci V. 5 1169 2022.
ISSN: ESSN 2575-910
PubMed: 36407959
DOI: 10.1021/ACSPTSCI.2C00164
Page generated: Sat Apr 8 07:28:57 2023

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy