Zinc in PDB 6ggf: Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328

Protein crystallography data

The structure of Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328, PDB code: 6ggf was solved by A.C.Joerger, M.R.Bauer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.61 / 1.32
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 65.110, 71.209, 105.351, 90.00, 90.00, 90.00
R / Rfree (%) 14.8 / 17.1

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328 (pdb code 6ggf). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328, PDB code: 6ggf:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 6ggf

Go back to Zinc Binding Sites List in 6ggf
Zinc binding site 1 out of 2 in the Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:14.9
occ:1.00
ND1 A:HIS179 2.0 14.9 1.0
SG A:CYS242 2.3 16.6 1.0
SG A:CYS238 2.3 19.2 1.0
SG A:CYS176 2.4 13.8 1.0
CE1 A:HIS179 2.9 15.4 1.0
CG A:HIS179 3.0 15.2 1.0
CB A:CYS242 3.1 15.9 1.0
CB A:CYS176 3.4 14.1 1.0
CB A:CYS238 3.4 16.5 1.0
CB A:HIS179 3.4 14.2 1.0
CA A:CYS238 3.8 12.9 1.0
N A:CYS176 4.0 13.1 1.0
NE2 A:HIS179 4.1 17.0 1.0
CD2 A:HIS179 4.1 16.3 1.0
CA A:CYS176 4.3 13.3 1.0
N A:HIS179 4.3 13.9 1.0
N A:TYR239 4.3 14.9 1.0
CA A:HIS179 4.5 14.0 1.0
CA A:CYS242 4.5 16.0 1.0
C A:CYS238 4.6 13.7 1.0
O A:HOH611 4.7 18.3 1.0
O A:MET237 4.8 12.7 1.0
C A:CYS176 5.0 13.9 1.0

Zinc binding site 2 out of 2 in 6ggf

Go back to Zinc Binding Sites List in 6ggf
Zinc binding site 2 out of 2 in the Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of the P53 Cancer Mutant Y220C in Complex with Small- Molecule Stabilizer PK9328 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn401

b:14.6
occ:1.00
ND1 B:HIS179 2.0 15.0 1.0
SG B:CYS242 2.3 15.7 1.0
SG B:CYS238 2.3 15.3 1.0
SG B:CYS176 2.3 14.3 1.0
CE1 B:HIS179 3.0 16.2 1.0
CG B:HIS179 3.1 14.4 1.0
CB B:CYS242 3.1 15.8 1.0
CB B:CYS238 3.3 13.3 1.0
CB B:CYS176 3.4 13.9 1.0
CB B:HIS179 3.4 14.6 1.0
CA B:CYS238 3.8 12.7 1.0
N B:CYS176 4.0 12.9 1.0
NE2 B:HIS179 4.1 16.9 1.0
CD2 B:HIS179 4.2 16.2 1.0
CA B:CYS176 4.3 13.6 1.0
N B:HIS179 4.4 15.1 1.0
N B:TYR239 4.4 14.2 1.0
CA B:CYS242 4.5 15.1 1.0
CA B:HIS179 4.5 14.3 1.0
O B:HOH623 4.7 15.9 1.0
O B:MET237 4.7 13.8 1.0
C B:CYS238 4.7 13.9 1.0
N B:CYS238 5.0 12.4 1.0

Reference:

M.R.Bauer, R.N.Jones, R.K.Tareque, B.Springett, F.A.Dingler, L.Verduci, K.J.Patel, A.R.Fersht, A.C.Joerger, J.Spencer. A Structure-Guided Molecular Chaperone Approach For Restoring the Transcriptional Activity of the P53 Cancer Mutant Y220C. Future Med Chem V. 11 2491 2019.
ISSN: ISSN 1756-8927
PubMed: 31633398
DOI: 10.4155/FMC-2019-0181
Page generated: Wed Dec 16 11:52:18 2020

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