Zinc in PDB 7b48: Structural Basis of Reactivation of Oncogenic P53 Mutants By A Small Molecule: Methylene Quinuclidinone (Mq). Human P53DBD-R273H Mutant Bound to Mq: R273H-Mq (II)

The structure of Structural Basis of Reactivation of Oncogenic P53 Mutants By A Small Molecule: Methylene Quinuclidinone (Mq). Human P53DBD-R273H Mutant Bound to Mq: R273H-Mq (II), PDB code: 7b48 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)	36.67 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.249, 72.003, 85.233, 90, 90.07, 90
R / Rfree (%)	17.6 / 22.8

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-R273H Mutant Bound to Mq: R273H-Mq (II) (pdb code 7b48). 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-R273H Mutant Bound to Mq: R273H-Mq (II), PDB code: 7b48:
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-R273H Mutant Bound to Mq: R273H-Mq (II)


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-R273H Mutant Bound to Mq: R273H-Mq (II) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:30.1 occ:1.00 ND1 A:HIS179 1.9 44.3 1.0 SG A:CYS242 2.0 35.6 1.0 SG A:CYS238 2.5 29.6 1.0 SG A:CYS176 2.6 43.3 1.0 CE1 A:HIS179 2.8 46.1 1.0 CG A:HIS179 2.9 43.3 1.0 CB A:CYS242 3.3 38.2 1.0 CB A:CYS238 3.3 28.5 1.0 CB A:CYS176 3.4 45.9 1.0 CB A:HIS179 3.4 43.1 1.0 CA A:CYS238 3.8 28.3 1.0 N A:CYS176 3.9 48.1 1.0 NE2 A:HIS179 3.9 45.4 1.0 CD2 A:HIS179 4.0 43.9 1.0 CA A:CYS176 4.2 46.4 1.0 N A:ASN239 4.4 30.9 1.0 N A:HIS179 4.5 44.1 1.0 O A:MET237 4.5 26.7 1.0 CA A:HIS179 4.5 44.0 1.0 O A:HOH498 4.6 37.0 1.0 CA A:CYS242 4.6 40.9 1.0 C A:CYS238 4.7 28.6 1.0 C A:CYS176 4.9 45.0 1.0 O A:CYS176 4.9 44.6 1.0 N A:CYS238 4.9 26.2 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-R273H Mutant Bound to Mq: R273H-Mq (II)


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-R273H Mutant Bound to Mq: R273H-Mq (II) within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:28.0 occ:1.00 ND1 B:HIS179 1.9 35.4 1.0 SG B:CYS242 2.3 28.6 1.0 SG B:CYS238 2.4 27.1 1.0 SG B:CYS176 2.5 34.3 1.0 CG B:HIS179 2.9 35.6 1.0 CE1 B:HIS179 3.0 36.0 1.0 CB B:CYS242 3.1 29.9 1.0 CB B:HIS179 3.2 35.7 1.0 CB B:CYS238 3.3 25.6 1.0 CB B:CYS176 3.5 35.0 1.0 CA B:CYS238 3.8 26.2 1.0 CD2 B:HIS179 4.1 35.5 1.0 NE2 B:HIS179 4.1 35.8 1.0 N B:CYS176 4.1 34.5 1.0 O B:HOH473 4.3 30.0 1.0 CA B:CYS176 4.3 34.9 1.0 N B:HIS179 4.3 36.3 1.0 CA B:HIS179 4.4 36.3 1.0 CA B:CYS242 4.5 32.8 1.0 N B:ASN239 4.6 29.4 1.0 C B:CYS238 4.7 26.8 1.0 O B:MET237 4.7 23.5 1.0 N B:CYS238 4.9 24.3 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-R273H Mutant Bound to Mq: R273H-Mq (II)


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-R273H Mutant Bound to Mq: R273H-Mq (II) within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:27.4 occ:1.00 ND1 C:HIS179 1.9 23.3 1.0 SG C:CYS176 2.3 28.3 1.0 SG C:CYS242 2.4 33.6 1.0 SG C:CYS238 2.4 26.6 1.0 CE1 C:HIS179 2.8 23.4 1.0 CB C:CYS242 2.9 35.1 1.0 CG C:HIS179 3.0 24.7 1.0 CB C:CYS238 3.1 26.0 1.0 CB C:CYS176 3.4 29.1 1.0 CB C:HIS179 3.4 25.9 1.0 CA C:CYS238 3.8 25.5 1.0 N C:CYS176 4.0 28.4 1.0 NE2 C:HIS179 4.0 23.7 1.0 CD2 C:HIS179 4.1 24.2 1.0 CA C:CYS176 4.2 29.7 1.0 CA C:CYS242 4.3 37.0 1.0 N C:HIS179 4.4 28.9 1.0 N C:ASN239 4.5 27.6 1.0 CA C:HIS179 4.5 28.2 1.0 O C:HOH475 4.5 40.3 1.0 C C:CYS238 4.7 25.8 1.0 O C:MET237 4.8 26.7 1.0 N C:CYS238 5.0 24.4 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-R273H Mutant Bound to Mq: R273H-Mq (II)


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-R273H Mutant Bound to Mq: R273H-Mq (II) within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn301 b:34.6 occ:1.00 ND1 D:HIS179 2.2 37.0 1.0 SG D:CYS242 2.3 34.4 1.0 SG D:CYS176 2.3 34.3 1.0 SG D:CYS238 2.4 28.9 1.0 CB D:CYS242 3.1 35.8 1.0 CG D:HIS179 3.2 37.4 1.0 CE1 D:HIS179 3.2 39.3 1.0 CB D:HIS179 3.4 36.5 1.0 CB D:CYS176 3.4 33.3 1.0 CB D:CYS238 3.5 28.0 1.0 CA D:CYS238 3.8 27.3 1.0 N D:CYS176 4.0 32.0 1.0 CA D:CYS176 4.2 33.8 1.0 CD2 D:HIS179 4.3 39.1 1.0 NE2 D:HIS179 4.4 38.5 1.0 N D:HIS179 4.4 38.4 1.0 N D:ASN239 4.4 28.8 1.0 CA D:CYS242 4.5 36.9 1.0 CA D:HIS179 4.5 38.8 1.0 C D:CYS238 4.7 27.5 1.0 O D:CYS176 4.7 35.3 1.0 O D:MET237 4.7 27.5 1.0 O D:HOH477 4.7 34.2 1.0 C D:CYS176 4.8 35.3 1.0 N D:CYS238 5.0 25.9 1.0

O.Degtjarik, D.Golovenko, Y.Diskin-Posner, L.Abrahmsen, H.Rozenberg, Z.Shakked. P53 Structure 2 To Be Published.