Zinc in PDB 4rld: Crystal Structure of Kkf Mutant of Bla G 2 Protein

The structure of Crystal Structure of Kkf Mutant of Bla G 2 Protein, PDB code: 4rld was solved by M.Li, A.Gustchina, A.Pomes, A.Wlodawer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.819, 75.410, 339.852, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 25.7

The binding sites of Zinc atom in the Crystal Structure of Kkf Mutant of Bla G 2 Protein (pdb code 4rld). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Kkf Mutant of Bla G 2 Protein, PDB code: 4rld:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Kkf Mutant of Bla G 2 Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Kkf Mutant of Bla G 2 Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn503 b:31.9 occ:1.00 OD1 A:ASP307 1.8 29.2 1.0 NE2 A:HIS161 2.0 28.5 1.0 OD1 A:ASP303 2.1 22.4 1.0 ND1 A:HIS155 2.1 26.0 1.0 OD2 A:ASP303 2.6 24.0 1.0 CG A:ASP303 2.7 24.0 1.0 CG A:ASP307 2.8 28.5 1.0 CD2 A:HIS161 2.9 30.4 1.0 CE1 A:HIS161 3.1 28.5 1.0 CG A:HIS155 3.1 25.6 1.0 OD2 A:ASP307 3.1 29.4 1.0 CE1 A:HIS155 3.1 25.6 1.0 CB A:HIS155 3.3 25.9 1.0 OH A:TYR14 4.0 18.5 1.0 CG A:HIS161 4.0 30.7 1.0 ND1 A:HIS161 4.1 29.2 1.0 CB A:ASP303 4.2 23.5 1.0 CB A:ASP307 4.2 27.6 1.0 N A:ALA156 4.2 27.4 1.0 CD2 A:HIS155 4.2 24.4 1.0 NE2 A:HIS155 4.2 24.4 1.0 C A:HIS155 4.3 26.7 1.0 CA A:HIS155 4.4 26.3 1.0 O A:ASP303 4.5 25.0 1.0 CE1 A:TYR14 4.5 19.4 1.0 CA A:ASP307 4.6 27.3 1.0 CZ A:TYR14 4.7 19.1 1.0 O A:ALA156 4.8 28.6 1.0 NE A:ARG157 4.8 27.7 1.0 C A:ASP303 4.8 24.7 1.0 CG A:ARG157 4.8 30.2 1.0 N A:ASP307 4.8 26.7 1.0 C A:ALA156 4.8 29.1 1.0 CA A:ALA156 4.8 28.4 1.0 O A:HIS155 4.9 27.5 1.0 CA A:ASP303 4.9 24.1 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Kkf Mutant of Bla G 2 Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Kkf Mutant of Bla G 2 Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:35.5 occ:1.00 OD1 B:ASP303 1.8 26.2 1.0 NE2 B:HIS161 1.9 33.4 1.0 OD1 B:ASP307 1.9 33.0 1.0 ND1 B:HIS155 2.1 27.8 1.0 CG B:ASP303 2.5 26.8 1.0 OD2 B:ASP303 2.6 26.1 1.0 CG B:ASP307 2.8 32.6 1.0 CE1 B:HIS161 2.9 33.0 1.0 CE1 B:HIS155 2.9 27.9 1.0 OD2 B:ASP307 2.9 33.4 1.0 CD2 B:HIS161 3.0 35.5 1.0 CG B:HIS155 3.2 29.4 1.0 CB B:HIS155 3.7 30.9 1.0 OH B:TYR14 3.8 24.8 1.0 ND1 B:HIS161 4.0 34.1 1.0 CB B:ASP303 4.0 26.3 1.0 NE2 B:HIS155 4.1 27.6 1.0 CG B:HIS161 4.1 35.8 1.0 CB B:ASP307 4.2 31.9 1.0 CD2 B:HIS155 4.2 28.6 1.0 O B:ASP303 4.3 27.9 1.0 N B:ALA156 4.4 33.9 1.0 C B:HIS155 4.4 32.9 1.0 CZ B:TYR14 4.5 23.9 1.0 NE B:ARG157 4.6 32.3 1.0 C B:ASP303 4.6 27.3 1.0 CA B:HIS155 4.6 32.0 1.0 CG B:ARG157 4.6 36.2 1.0 CE1 B:TYR14 4.6 22.6 1.0 CA B:ASP307 4.6 32.1 1.0 CA B:ASP303 4.7 26.8 1.0 O B:HIS155 4.8 33.5 1.0 N B:ASP307 4.9 31.1 1.0 C B:ALA156 4.9 36.2 1.0 CA B:ALA156 4.9 35.5 1.0 O B:ALA156 5.0 35.4 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Kkf Mutant of Bla G 2 Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Kkf Mutant of Bla G 2 Protein within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn403 b:45.3 occ:1.00 OD1 C:ASP307 1.9 38.8 1.0 OD1 C:ASP303 1.9 35.2 1.0 NE2 C:HIS161 2.1 42.5 1.0 ND1 C:HIS155 2.1 36.7 1.0 CG C:ASP303 2.7 35.4 1.0 CG C:ASP307 2.8 39.7 1.0 OD2 C:ASP303 2.8 35.0 1.0 OD2 C:ASP307 3.0 40.3 1.0 CE1 C:HIS161 3.1 42.2 1.0 CE1 C:HIS155 3.1 36.1 1.0 CD2 C:HIS161 3.1 44.9 1.0 CG C:HIS155 3.1 38.2 1.0 CB C:HIS155 3.4 39.4 1.0 OH C:TYR14 3.7 34.3 1.0 CB C:ASP303 4.2 33.9 1.0 ND1 C:HIS161 4.2 43.7 1.0 CB C:ASP307 4.2 39.8 1.0 NE2 C:HIS155 4.2 36.2 1.0 O C:ASP303 4.2 35.7 1.0 CG C:HIS161 4.2 46.0 1.0 CD2 C:HIS155 4.2 37.6 1.0 N C:ALA156 4.3 43.9 1.0 NE C:ARG157 4.3 39.7 1.0 C C:HIS155 4.4 42.7 1.0 CZ C:TYR14 4.5 33.4 1.0 CE1 C:TYR14 4.5 32.6 1.0 CA C:HIS155 4.5 41.4 1.0 CG C:ARG157 4.6 45.6 1.0 CA C:ASP307 4.6 40.4 1.0 O C:ALA156 4.7 45.8 1.0 C C:ASP303 4.7 34.8 1.0 CA C:ASP303 4.8 33.9 1.0 C C:ALA156 4.8 46.2 1.0 N C:ASP307 4.9 39.1 1.0 CA C:ALA156 4.9 45.7 1.0 NH2 C:ARG157 4.9 36.6 1.0 O C:HIS155 5.0 43.1 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Kkf Mutant of Bla G 2 Protein


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Kkf Mutant of Bla G 2 Protein within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn403 b:51.0 occ:1.00 OD1 D:ASP307 1.9 43.8 1.0 NE2 D:HIS161 1.9 46.9 1.0 OD1 D:ASP303 2.0 40.5 1.0 ND1 D:HIS155 2.0 37.6 1.0 CE1 D:HIS155 2.7 37.4 1.0 CE1 D:HIS161 2.8 47.3 1.0 CG D:ASP307 2.9 43.8 1.0 CG D:ASP303 2.9 40.2 1.0 CD2 D:HIS161 2.9 49.2 1.0 CG D:HIS155 3.1 40.6 1.0 OD2 D:ASP303 3.2 41.0 1.0 OD2 D:ASP307 3.2 44.0 1.0 CB D:HIS155 3.6 43.0 1.0 OH D:TYR14 3.9 36.8 1.0 NE2 D:HIS155 3.9 37.5 1.0 ND1 D:HIS161 3.9 49.7 1.0 CG D:HIS161 4.0 50.1 1.0 CD2 D:HIS155 4.0 39.6 1.0 CB D:ASP307 4.2 44.3 1.0 CB D:ASP303 4.3 38.6 1.0 C D:HIS155 4.3 46.3 1.0 N D:ALA156 4.3 47.7 1.0 O D:ASP303 4.5 40.8 1.0 NE D:ARG157 4.5 47.2 1.0 CA D:ASP307 4.6 44.4 1.0 CA D:HIS155 4.6 44.8 1.0 CZ D:TYR14 4.6 36.0 1.0 CG D:ARG157 4.6 51.3 1.0 O D:ALA156 4.7 50.8 1.0 O D:HIS155 4.7 46.8 1.0 CE1 D:TYR14 4.7 36.3 1.0 C D:ALA156 4.7 50.9 1.0 N D:ASP307 4.8 43.3 1.0 CA D:ALA156 4.8 49.9 1.0 C D:ASP303 4.8 40.2 1.0 CA D:ASP303 4.9 39.2 1.0

M.Li, A.Gustchina, A.Pomes, A.Wlodawer. To Be Determined To Be Published.