Zinc in PDB 7b4b: Structural Basis of Reactivation of Oncogenic P53 Mutants By A Small Molecule: Methylene Quinuclidinone (Mq). Human P53DBD-R273C Mutant Bound to Mq: R273C-Mq (I)

The structure of Structural Basis of Reactivation of Oncogenic P53 Mutants By A Small Molecule: Methylene Quinuclidinone (Mq). Human P53DBD-R273C Mutant Bound to Mq: R273C-Mq (I), PDB code: 7b4b was solved by O.Degtjarik, H.Rozenberg, Z.Shakked, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.46 / 1.76
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	68.73, 70.686, 85.107, 90, 90.29, 90
R / Rfree (%)	18 / 21.8

The binding sites of Zinc atom in the Structural Basis of Reactivation of Oncogenic P53 Mutants By A Small Molecule: Methylene Quinuclidinone (Mq). Human P53DBD-R273C Mutant Bound to Mq: R273C-Mq (I) (pdb code 7b4b). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Structural Basis of Reactivation of Oncogenic P53 Mutants By A Small Molecule: Methylene Quinuclidinone (Mq). Human P53DBD-R273C Mutant Bound to Mq: R273C-Mq (I), PDB code: 7b4b:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Structural Basis of Reactivation of Oncogenic P53 Mutants By A Small Molecule: Methylene Quinuclidinone (Mq). Human P53DBD-R273C Mutant Bound to Mq: R273C-Mq (I)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structural Basis of Reactivation of Oncogenic P53 Mutants By A Small Molecule: Methylene Quinuclidinone (Mq). Human P53DBD-R273C Mutant Bound to Mq: R273C-Mq (I) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:29.3 occ:1.00 ND1 A:HIS179 2.1 30.6 1.0 SG A:CYS238 2.3 20.9 0.7 SG A:CYS176 2.3 25.6 1.0 SG A:CYS242 2.3 30.3 1.0 SG A:CYS238 2.6 15.9 0.3 CE1 A:HIS179 3.0 37.8 1.0 CB A:CYS242 3.0 24.6 1.0 CG A:HIS179 3.1 22.2 1.0 CB A:CYS176 3.5 39.3 1.0 CB A:HIS179 3.5 29.0 1.0 CB A:CYS238 3.5 73.1 0.3 CB A:CYS238 3.6 15.9 0.7 CA A:CYS238 3.8 14.4 0.7 CA A:CYS238 3.9 43.8 0.3 N A:CYS176 4.0 21.0 1.0 N A:ASN239 4.1 26.0 1.0 NE2 A:HIS179 4.1 37.8 1.0 CD2 A:HIS179 4.2 50.2 1.0 CA A:CYS176 4.3 22.0 1.0 N A:HIS179 4.4 33.2 1.0 C A:CYS238 4.5 18.0 0.7 CA A:CYS242 4.5 30.2 1.0 C A:CYS238 4.5 52.9 0.3 CA A:HIS179 4.6 26.6 1.0 O A:MET237 4.8 28.3 1.0 O A:CYS176 5.0 29.6 1.0 C A:CYS176 5.0 29.1 1.0

Zinc binding site 2 out of 4 in the Structural Basis of Reactivation of Oncogenic P53 Mutants By A Small Molecule: Methylene Quinuclidinone (Mq). Human P53DBD-R273C Mutant Bound to Mq: R273C-Mq (I)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structural Basis of Reactivation of Oncogenic P53 Mutants By A Small Molecule: Methylene Quinuclidinone (Mq). Human P53DBD-R273C Mutant Bound to Mq: R273C-Mq (I) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:25.7 occ:1.00 ND1 B:HIS179 2.1 30.1 1.0 SG B:CYS242 2.3 21.3 1.0 SG B:CYS176 2.4 22.1 1.0 SG B:CYS238 2.4 14.2 0.5 SG B:CYS238 2.4 30.2 0.5 CE1 B:HIS179 3.1 21.9 1.0 CB B:CYS242 3.1 17.6 1.0 CG B:HIS179 3.1 18.2 1.0 CB B:CYS238 3.3 14.3 0.5 CB B:CYS176 3.4 19.5 1.0 CB B:HIS179 3.4 21.7 1.0 CB B:CYS238 3.6 42.6 0.5 CA B:CYS238 3.9 51.6 0.5 CA B:CYS238 3.9 9.7 0.5 N B:CYS176 4.0 17.7 1.0 O B:HOH549 4.1 27.6 1.0 NE2 B:HIS179 4.2 25.6 1.0 CD2 B:HIS179 4.2 31.3 1.0 CA B:CYS176 4.3 20.5 1.0 N B:ASN239 4.3 22.9 1.0 N B:HIS179 4.4 20.0 1.0 O B:HOH511 4.4 22.3 0.7 CA B:CYS242 4.5 23.8 1.0 CA B:HIS179 4.5 20.0 1.0 C B:CYS238 4.6 55.7 0.5 C B:CYS238 4.7 10.1 0.5 O B:MET237 4.8 19.9 1.0 O B:CYS176 5.0 22.6 1.0

Zinc binding site 3 out of 4 in the Structural Basis of Reactivation of Oncogenic P53 Mutants By A Small Molecule: Methylene Quinuclidinone (Mq). Human P53DBD-R273C Mutant Bound to Mq: R273C-Mq (I)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structural Basis of Reactivation of Oncogenic P53 Mutants By A Small Molecule: Methylene Quinuclidinone (Mq). Human P53DBD-R273C Mutant Bound to Mq: R273C-Mq (I) within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:29.4 occ:1.00 ND1 C:HIS179 2.0 31.4 1.0 SG C:CYS238 2.3 31.0 0.6 SG C:CYS176 2.3 23.8 1.0 SG C:CYS242 2.3 26.6 1.0 SG C:CYS238 2.4 17.3 0.4 CE1 C:HIS179 2.9 27.1 1.0 CG C:HIS179 3.0 31.1 1.0 CB C:CYS242 3.1 23.1 1.0 CB C:CYS238 3.3 21.4 0.4 CB C:CYS176 3.4 27.2 1.0 CB C:HIS179 3.4 22.9 1.0 CB C:CYS238 3.6 37.9 0.6 CA C:CYS238 3.8 16.7 0.4 CA C:CYS238 3.8 15.8 0.6 N C:CYS176 4.0 24.6 1.0 NE2 C:HIS179 4.0 25.3 1.0 CD2 C:HIS179 4.1 24.5 1.0 N C:ASN239 4.3 26.6 1.0 CA C:CYS176 4.3 23.1 1.0 N C:HIS179 4.3 23.3 1.0 CA C:CYS242 4.5 25.9 1.0 CA C:HIS179 4.5 25.4 1.0 C C:CYS238 4.5 28.7 0.6 C C:CYS238 4.6 29.6 0.4 O C:HOH492 4.7 32.7 1.0 O C:MET237 4.8 22.1 1.0 O C:CYS176 4.8 27.6 1.0 C C:CYS176 4.9 27.2 1.0

Zinc binding site 4 out of 4 in the Structural Basis of Reactivation of Oncogenic P53 Mutants By A Small Molecule: Methylene Quinuclidinone (Mq). Human P53DBD-R273C Mutant Bound to Mq: R273C-Mq (I)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structural Basis of Reactivation of Oncogenic P53 Mutants By A Small Molecule: Methylene Quinuclidinone (Mq). Human P53DBD-R273C Mutant Bound to Mq: R273C-Mq (I) within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn301 b:32.5 occ:1.00 ND1 D:HIS179 2.0 34.1 1.0 SG D:CYS238 2.3 19.7 0.5 SG D:CYS176 2.3 28.8 1.0 SG D:CYS242 2.4 37.5 1.0 SG D:CYS238 2.5 38.4 0.5 CE1 D:HIS179 2.8 53.3 1.0 CG D:HIS179 3.1 25.6 1.0 CB D:CYS242 3.2 29.9 1.0 CB D:CYS176 3.3 26.9 1.0 CB D:CYS238 3.5 37.3 0.5 CB D:CYS238 3.5 32.1 0.5 CB D:HIS179 3.6 26.9 1.0 CA D:CYS238 3.8 24.0 0.5 CA D:CYS238 3.9 20.6 0.5 N D:CYS176 3.9 24.5 1.0 NE2 D:HIS179 4.0 52.9 1.0 N D:ASN239 4.1 24.8 1.0 CD2 D:HIS179 4.1 55.4 1.0 CA D:CYS176 4.2 29.7 1.0 N D:HIS179 4.4 35.7 1.0 C D:CYS238 4.5 48.4 0.5 C D:CYS238 4.6 15.9 0.5 CA D:CYS242 4.6 38.3 1.0 CA D:HIS179 4.7 25.8 1.0 O D:HOH501 4.8 45.5 0.8 O D:MET237 4.8 25.1 1.0 O D:CYS176 4.9 23.6 1.0 C D:CYS176 4.9 26.8 1.0 O D:ASN239 5.0 25.3 1.0

O.Degtjarik, D.Golovenko, Y.Diskin-Posner, L.Abrahmsen, H.Rozenberg, Z.Shakked. P53 Structure 5 To Be Published.