Zinc in PDB 1b20: Deletion of A Buried Salt-Bridge in Barnase

All present enzymatic activity of Deletion of A Buried Salt-Bridge in Barnase:
3.1.27.3;

The structure of Deletion of A Buried Salt-Bridge in Barnase, PDB code: 1b20 was solved by C.K.Vaughan, P.Harryson, A.M.Buckle, M.Oliveberg, A.R.Fersht, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.10 / 1.70
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	57.630, 57.630, 81.300, 90.00, 90.00, 120.00
R / Rfree (%)	16.6 / 21.7

The binding sites of Zinc atom in the Deletion of A Buried Salt-Bridge in Barnase (pdb code 1b20). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Deletion of A Buried Salt-Bridge in Barnase, PDB code: 1b20:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Deletion of A Buried Salt-Bridge in Barnase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Deletion of A Buried Salt-Bridge in Barnase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn377 b:23.4 occ:0.20 OE1 A:GLU60 3.0 31.4 0.0 NZ A:LYS62 3.0 25.4 1.0 CE A:LYS62 3.8 24.8 1.0 CD A:GLU60 4.1 31.1 0.0 O A:HOH439 4.3 37.9 1.0 O A:TYR103 4.4 15.4 1.0 OE2 A:GLU60 4.4 31.3 0.0 O A:HOH454 4.4 25.4 1.0 CD A:LYS62 4.7 24.2 1.0 CA A:GLN104 4.8 14.8 1.0

Zinc binding site 2 out of 3 in the Deletion of A Buried Salt-Bridge in Barnase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Deletion of A Buried Salt-Bridge in Barnase within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn434 b:42.8 occ:0.40 ND1 B:HIS18 2.6 16.9 1.0 CE1 B:HIS18 3.5 17.5 1.0 CG B:HIS18 3.6 16.4 1.0 O B:TYR17 3.8 17.9 1.0 CB B:HIS18 3.8 17.0 1.0 O B:HOH529 3.9 38.2 1.0 C B:TYR17 4.3 17.7 1.0 O B:HOH512 4.5 33.5 1.0 NE2 B:HIS18 4.6 15.8 1.0 CD2 B:HIS18 4.7 16.6 1.0 O B:THR16 4.8 16.9 1.0 N B:HIS18 4.8 16.3 1.0 CA B:TYR17 4.9 17.7 1.0 CA B:HIS18 4.9 15.5 1.0 O B:HOH525 5.0 29.6 1.0

Zinc binding site 3 out of 3 in the Deletion of A Buried Salt-Bridge in Barnase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Deletion of A Buried Salt-Bridge in Barnase within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn111 b:14.2 occ:0.70 O A:HOH405 2.2 13.9 1.0 ND1 C:HIS18 2.2 14.5 1.0 CE1 C:HIS18 3.0 15.5 1.0 CG C:HIS18 3.2 15.4 1.0 CB C:HIS18 3.7 13.3 1.0 O A:LEU33 3.8 11.2 1.0 O C:TYR17 4.1 15.0 1.0 NE2 C:HIS18 4.2 13.5 1.0 O A:VAL45 4.3 14.2 1.0 CD2 C:HIS18 4.3 13.9 1.0 O C:HOH198 4.4 31.0 1.0 C C:TYR17 4.5 15.3 1.0 CA A:VAL45 4.6 14.0 1.0 CB A:VAL45 4.7 14.3 1.0 O C:HOH137 4.7 17.7 1.0 CA C:HIS18 4.9 12.6 1.0 N C:HIS18 4.9 11.4 1.0 C A:VAL45 4.9 13.9 1.0 O C:HOH180 5.0 20.0 1.0 O C:THR16 5.0 14.3 1.0

C.K.Vaughan, P.Harryson, A.M.Buckle, A.R.Fersht. A Structural Double-Mutant Cycle: Estimating the Strength of A Buried Salt Bridge in Barnase. Acta Crystallogr.,Sect.D V. 58 591 2002.
ISSN: ISSN 0907-4449
PubMed: 11914482
DOI: 10.1107/S0907444902001567