Zinc in PDB 4wwl: E. Coli 5'-Nucleotidase Mutant I521C Labeled with Mtsl (Intermediate Form)

All present enzymatic activity of E. Coli 5'-Nucleotidase Mutant I521C Labeled with Mtsl (Intermediate Form):
3.1.3.5; 3.6.1.45;

The structure of E. Coli 5'-Nucleotidase Mutant I521C Labeled with Mtsl (Intermediate Form), PDB code: 4wwl was solved by U.Krug, K.S.Paithankar, R.Schultz-Heienbrok, N.Strater, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.18 / 2.23
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.890, 68.890, 307.410, 90.00, 90.00, 90.00
R / Rfree (%)	15.5 / 18.7

The binding sites of Zinc atom in the E. Coli 5'-Nucleotidase Mutant I521C Labeled with Mtsl (Intermediate Form) (pdb code 4wwl). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the E. Coli 5'-Nucleotidase Mutant I521C Labeled with Mtsl (Intermediate Form), PDB code: 4wwl:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the E. Coli 5'-Nucleotidase Mutant I521C Labeled with Mtsl (Intermediate Form)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of E. Coli 5'-Nucleotidase Mutant I521C Labeled with Mtsl (Intermediate Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:35.8 occ:0.40 ND1 A:HIS252 2.1 38.3 1.0 OD1 A:ASN116 2.2 28.1 1.0 NE2 A:HIS217 2.3 35.3 1.0 O3 A:CO3613 2.5 67.7 1.0 OD2 A:ASP84 2.6 33.7 1.0 CE1 A:HIS252 3.0 38.3 1.0 ZN A:ZN603 3.1 36.0 0.4 CE1 A:HIS217 3.2 34.4 1.0 CG A:HIS252 3.2 36.9 1.0 CG A:ASN116 3.2 31.9 1.0 CD2 A:HIS217 3.3 34.9 1.0 CA A:HIS252 3.5 32.5 1.0 CG A:ASP84 3.5 23.3 1.0 C A:CO3613 3.6 67.2 1.0 CB A:HIS252 3.6 33.1 1.0 ND2 A:ASN116 3.6 22.5 1.0 OD1 A:ASP84 3.9 20.1 1.0 O A:HIS252 3.9 38.9 1.0 CD2 A:HIS117 4.0 15.3 1.0 OD1 A:ASP41 4.2 28.2 1.0 NE2 A:HIS252 4.2 39.1 1.0 O1 A:CO3613 4.2 68.6 1.0 C A:HIS252 4.2 38.4 1.0 CD2 A:HIS252 4.3 39.1 1.0 ND1 A:HIS217 4.3 33.9 1.0 CG A:HIS217 4.3 32.1 1.0 O2 A:CO3613 4.4 65.1 1.0 N A:HIS252 4.5 31.7 1.0 CB A:ASN116 4.6 16.9 1.0 NE2 A:HIS117 4.6 15.6 1.0 N A:ASN116 4.7 12.9 1.0 CB A:ASP84 4.7 15.7 1.0

Zinc binding site 2 out of 2 in the E. Coli 5'-Nucleotidase Mutant I521C Labeled with Mtsl (Intermediate Form)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of E. Coli 5'-Nucleotidase Mutant I521C Labeled with Mtsl (Intermediate Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn603 b:36.0 occ:0.40 OD1 A:ASP41 2.3 28.2 1.0 OD2 A:ASP84 2.5 33.7 1.0 NE2 A:HIS43 2.6 14.8 1.0 OE1 A:GLN254 2.6 50.2 1.0 O3 A:CO3613 2.7 67.7 1.0 ZN A:ZN602 3.1 35.8 0.4 CD A:GLN254 3.4 51.4 1.0 CE1 A:HIS43 3.4 14.1 1.0 CG A:ASP41 3.5 26.1 1.0 CG A:ASP84 3.6 23.3 1.0 O A:HIS252 3.7 38.9 1.0 CD2 A:HIS43 3.7 14.9 1.0 C A:CO3613 3.7 67.2 1.0 CG A:GLN254 3.8 45.1 1.0 O1 A:CO3613 3.9 68.6 1.0 CB A:ASP84 4.0 15.7 1.0 O A:HOH1103 4.0 50.4 1.0 CD2 A:HIS117 4.1 15.3 1.0 CE1 A:HIS217 4.2 34.4 1.0 CB A:ASP41 4.2 14.4 1.0 NE2 A:HIS217 4.2 35.3 1.0 CA A:HIS252 4.3 32.5 1.0 NE2 A:GLN254 4.4 23.0 1.0 OD2 A:ASP41 4.4 29.3 1.0 C A:HIS252 4.4 38.4 1.0 NE2 A:HIS117 4.5 15.6 1.0 ND1 A:HIS43 4.6 14.7 1.0 ND1 A:HIS252 4.6 38.3 1.0 OD1 A:ASP84 4.6 20.1 1.0 CG A:HIS43 4.8 13.4 1.0 O2 A:CO3613 4.8 65.1 1.0 N A:HIS252 4.8 31.7 1.0 OD1 A:ASN116 4.9 28.1 1.0 O A:HOH928 5.0 23.3 1.0 CA A:ASP41 5.0 11.6 1.0

U.Krug, K.S.Paithankar, R.Schultz-Heienbrok, N.Strater. E. Coli 5'-Nucleotidase Mutant I521C Labeled with Mtsl (Intermediate Form) To Be Published.