Zinc in PDB 4h1s: Crystal Structure of A Truncated Soluble Form of Human CD73 with Ecto- 5'-Nucleotidase Activity

All present enzymatic activity of Crystal Structure of A Truncated Soluble Form of Human CD73 with Ecto- 5'-Nucleotidase Activity:
3.1.3.5;

The structure of Crystal Structure of A Truncated Soluble Form of Human CD73 with Ecto- 5'-Nucleotidase Activity, PDB code: 4h1s was solved by D.P.Heuts, M.J.Weissenborn, R.V.Olkhov, A.M.Shaw, C.W.Levy, N.S.Scrutton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.86 / 2.20
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.910, 95.010, 230.290, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 21.7

The binding sites of Zinc atom in the Crystal Structure of A Truncated Soluble Form of Human CD73 with Ecto- 5'-Nucleotidase Activity (pdb code 4h1s). 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 A Truncated Soluble Form of Human CD73 with Ecto- 5'-Nucleotidase Activity, PDB code: 4h1s:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of A Truncated Soluble Form of Human CD73 with Ecto- 5'-Nucleotidase Activity


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 A Truncated Soluble Form of Human CD73 with Ecto- 5'-Nucleotidase Activity within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:9.8 occ:1.00 O1 A:PO4604 2.1 7.4 1.0 NE2 A:HIS220 2.1 7.0 1.0 ND1 A:HIS243 2.2 8.4 1.0 OD1 A:ASN117 2.3 5.9 1.0 OD2 A:ASP85 2.3 9.8 1.0 O A:HOH1000 2.4 9.5 1.0 CE1 A:HIS243 2.9 8.4 1.0 CD2 A:HIS220 3.1 6.4 1.0 CE1 A:HIS220 3.1 8.8 1.0 CG A:ASN117 3.2 8.6 1.0 CG A:ASP85 3.3 10.6 1.0 P A:PO4604 3.3 10.7 1.0 ZN A:ZN603 3.4 15.9 1.0 CG A:HIS243 3.4 10.9 1.0 ND2 A:ASN117 3.5 8.1 1.0 OD1 A:ASP85 3.7 10.0 1.0 O4 A:PO4604 3.7 8.1 1.0 O3 A:PO4604 3.8 10.8 1.0 CA A:HIS243 3.8 10.0 1.0 OD2 A:ASP36 3.9 10.0 1.0 CB A:HIS243 3.9 7.5 1.0 NE2 A:HIS243 4.1 8.4 1.0 CG A:HIS220 4.2 9.1 1.0 ND1 A:HIS220 4.2 9.6 1.0 CD2 A:HIS118 4.2 9.2 1.0 O A:HIS243 4.3 9.9 1.0 CD2 A:HIS243 4.4 9.5 1.0 CB A:ASP85 4.5 6.5 1.0 O2 A:PO4604 4.5 11.7 1.0 C A:HIS243 4.6 8.7 1.0 N A:ASN117 4.6 6.7 1.0 CB A:ASN117 4.6 9.1 1.0 N A:HIS243 4.8 8.3 1.0 NE2 A:HIS118 4.9 9.7 1.0 O A:HOH788 4.9 12.4 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of A Truncated Soluble Form of Human CD73 with Ecto- 5'-Nucleotidase Activity


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 A Truncated Soluble Form of Human CD73 with Ecto- 5'-Nucleotidase Activity within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn603 b:15.9 occ:1.00 O A:HOH1000 2.0 9.5 1.0 OD2 A:ASP36 2.1 10.0 1.0 O4 A:PO4604 2.1 8.1 1.0 NE2 A:HIS38 2.2 6.9 1.0 O A:HOH973 2.2 5.4 1.0 OD2 A:ASP85 2.2 9.8 1.0 CE1 A:HIS38 3.1 7.2 1.0 CG A:ASP85 3.2 10.6 1.0 CD2 A:HIS38 3.2 7.0 1.0 CG A:ASP36 3.2 8.9 1.0 P A:PO4604 3.2 10.7 1.0 ZN A:ZN602 3.4 9.8 1.0 O1 A:PO4604 3.4 7.4 1.0 CB A:ASP85 3.5 6.5 1.0 CB A:ASP36 3.8 4.8 1.0 O A:HOH778 3.8 9.2 1.0 O3 A:PO4604 3.9 10.8 1.0 NH2 A:ARG395 4.1 8.4 1.0 OD1 A:ASN245 4.2 7.0 1.0 CD2 A:HIS118 4.2 9.2 1.0 CE1 A:HIS220 4.2 8.8 1.0 NE2 A:HIS220 4.2 7.0 1.0 OD1 A:ASP36 4.3 7.4 1.0 ND1 A:HIS38 4.3 6.0 1.0 OD1 A:ASP85 4.3 10.0 1.0 CG A:HIS38 4.3 7.2 1.0 O2 A:PO4604 4.5 11.7 1.0 CA A:ASP36 4.5 7.1 1.0 O A:HIS243 4.6 9.9 1.0 NE2 A:HIS118 4.8 9.7 1.0 CA A:HIS243 4.8 10.0 1.0 CA A:ASP85 5.0 7.0 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of A Truncated Soluble Form of Human CD73 with Ecto- 5'-Nucleotidase Activity


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 A Truncated Soluble Form of Human CD73 with Ecto- 5'-Nucleotidase Activity within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn602 b:9.1 occ:1.00 O2 B:PO4604 2.1 5.9 1.0 NE2 B:HIS220 2.2 6.0 1.0 ND1 B:HIS243 2.3 6.8 1.0 OD1 B:ASN117 2.3 6.2 1.0 OD2 B:ASP85 2.3 8.4 1.0 O B:HOH969 2.4 6.5 1.0 CE1 B:HIS243 3.1 9.8 1.0 CD2 B:HIS220 3.1 6.0 1.0 CE1 B:HIS220 3.2 6.9 1.0 CG B:ASN117 3.2 9.1 1.0 CG B:ASP85 3.2 8.7 1.0 P B:PO4604 3.3 11.8 1.0 ZN B:ZN603 3.4 16.7 1.0 CG B:HIS243 3.4 9.1 1.0 ND2 B:ASN117 3.5 7.4 1.0 OD1 B:ASP85 3.6 6.8 1.0 O1 B:PO4604 3.7 8.6 1.0 O3 B:PO4604 3.8 8.9 1.0 CA B:HIS243 3.8 7.0 1.0 CB B:HIS243 3.8 7.5 1.0 OD1 B:ASP36 3.9 11.7 1.0 CD2 B:HIS118 4.2 9.2 1.0 NE2 B:HIS243 4.3 10.0 1.0 CG B:HIS220 4.3 9.1 1.0 ND1 B:HIS220 4.3 6.7 1.0 O B:HIS243 4.3 9.6 1.0 CD2 B:HIS243 4.4 9.3 1.0 CB B:ASP85 4.5 6.6 1.0 O4 B:PO4604 4.5 10.2 1.0 C B:HIS243 4.6 9.5 1.0 CB B:ASN117 4.6 8.1 1.0 N B:ASN117 4.6 7.8 1.0 N B:HIS243 4.8 8.4 1.0 NE2 B:HIS118 4.8 10.2 1.0 O B:HOH894 4.9 10.9 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of A Truncated Soluble Form of Human CD73 with Ecto- 5'-Nucleotidase Activity


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 A Truncated Soluble Form of Human CD73 with Ecto- 5'-Nucleotidase Activity within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn603 b:16.7 occ:1.00 O B:HOH969 2.1 6.5 1.0 OD1 B:ASP36 2.1 11.7 1.0 OD2 B:ASP85 2.2 8.4 1.0 NE2 B:HIS38 2.2 10.0 1.0 O1 B:PO4604 2.2 8.6 1.0 O B:HOH970 2.3 7.6 1.0 CG B:ASP85 3.1 8.7 1.0 CE1 B:HIS38 3.2 9.1 1.0 CG B:ASP36 3.2 9.1 1.0 CD2 B:HIS38 3.2 7.4 1.0 P B:PO4604 3.3 11.8 1.0 ZN B:ZN602 3.4 9.1 1.0 CB B:ASP85 3.4 6.6 1.0 O2 B:PO4604 3.6 5.9 1.0 CB B:ASP36 3.7 7.5 1.0 O3 B:PO4604 3.8 8.9 1.0 O B:HOH758 3.9 10.1 1.0 NH2 B:ARG395 4.1 11.0 1.0 CD2 B:HIS118 4.2 9.2 1.0 OD2 B:ASP36 4.2 8.0 1.0 CE1 B:HIS220 4.2 6.9 1.0 OD1 B:ASN245 4.3 8.5 1.0 NE2 B:HIS220 4.3 6.0 1.0 OD1 B:ASP85 4.3 6.8 1.0 ND1 B:HIS38 4.3 7.2 1.0 CG B:HIS38 4.3 8.1 1.0 CA B:ASP36 4.5 8.4 1.0 O4 B:PO4604 4.5 10.2 1.0 O B:HIS243 4.6 9.6 1.0 NE2 B:HIS118 4.7 10.2 1.0 CA B:HIS243 4.8 7.0 1.0 CA B:ASP85 4.9 7.0 1.0

D.P.Heuts, M.J.Weissenborn, R.V.Olkhov, A.M.Shaw, J.Gummadova, C.Levy, N.S.Scrutton. Crystal Structure of A Soluble Form of Human CD73 with Ecto-5'-Nucleotidase Activity. Chembiochem V. 13 2384 2012.
ISSN: ISSN 1439-4227
PubMed: 22997138
DOI: 10.1002/CBIC.201200426