Zinc in PDB 1brk: Barnase Mutant with Ile 96 Replaced By Ala

The structure of Barnase Mutant with Ile 96 Replaced By Ala, PDB code: 1brk was solved by P.C.Cramer, A.Buckle, A.Fersht, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	7.00 / 2.00
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	59.050, 59.050, 81.640, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The binding sites of Zinc atom in the Barnase Mutant with Ile 96 Replaced By Ala (pdb code 1brk). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Barnase Mutant with Ile 96 Replaced By Ala, PDB code: 1brk:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Barnase Mutant with Ile 96 Replaced By Ala


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Barnase Mutant with Ile 96 Replaced By Ala within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn111 b:32.6 occ:1.00 O A:HOH187 2.3 52.0 1.0 ND1 A:HIS18 2.5 17.1 1.0 CE1 A:HIS18 3.4 17.8 1.0 CG A:HIS18 3.4 18.6 1.0 CB A:HIS18 3.7 18.3 1.0 O A:TYR17 4.1 15.9 1.0 C A:TYR17 4.4 17.8 1.0 NE2 A:HIS18 4.5 17.6 1.0 CD2 A:HIS18 4.6 17.3 1.0 O A:THR16 4.8 20.1 1.0 N A:HIS18 4.8 16.8 1.0 CA A:HIS18 4.9 17.8 1.0

Zinc binding site 2 out of 3 in the Barnase Mutant with Ile 96 Replaced By Ala


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Barnase Mutant with Ile 96 Replaced By Ala within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn111 b:26.8 occ:1.00 ND1 B:HIS18 2.2 13.1 1.0 O B:HOH205 2.3 28.8 1.0 CE1 B:HIS18 3.1 13.2 1.0 CG B:HIS18 3.3 12.8 1.0 CB B:HIS18 3.7 11.7 1.0 O B:TYR17 4.0 11.5 1.0 NE2 B:HIS18 4.3 11.8 1.0 CD2 B:HIS18 4.4 11.5 1.0 C B:TYR17 4.4 11.5 1.0 O B:THR16 4.8 11.1 1.0 N B:HIS18 4.8 10.5 1.0 CA B:HIS18 4.9 11.5 1.0

Zinc binding site 3 out of 3 in the Barnase Mutant with Ile 96 Replaced By Ala


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Barnase Mutant with Ile 96 Replaced By Ala within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn111 b:12.6 occ:1.00 OE1 C:GLU60 1.9 13.8 1.0 O C:HOH140 2.0 10.1 1.0 NZ C:LYS62 2.2 7.6 1.0 CD C:GLU60 2.7 12.5 1.0 OE2 C:GLU60 2.8 14.5 1.0 CE C:LYS62 3.0 8.0 1.0 O C:HOH178 3.9 14.1 1.0 CG C:GLU60 4.2 10.3 1.0 O C:TYR103 4.4 4.2 1.0 CD C:LYS62 4.4 7.3 1.0 CB C:GLU60 4.7 10.4 1.0 CA C:GLN104 4.8 8.2 1.0 O C:HOH179 4.8 18.3 1.0 CG C:GLN104 4.8 14.8 1.0

A.M.Buckle, P.Cramer, A.R.Fersht. Structural and Energetic Responses to Cavity-Creating Mutations in Hydrophobic Cores: Observation of A Buried Water Molecule and the Hydrophilic Nature of Such Hydrophobic Cavities. Biochemistry V. 35 4298 1996.
ISSN: ISSN 0006-2960
PubMed: 8605178
DOI: 10.1021/BI9524676