Atomistry » Zinc » PDB 4gxw-4h7z » 4h2b
Atomistry »
  Zinc »
    PDB 4gxw-4h7z »
      4h2b »

Zinc in PDB 4h2b: Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin

Enzymatic activity of Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin

All present enzymatic activity of Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin:
3.1.3.5;

Protein crystallography data

The structure of Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin, PDB code: 4h2b was solved by M.Zebisch, J.Pippel, K.Knapp, N.Straeter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.83 / 1.70
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 67.263, 131.056, 66.238, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 18

Other elements in 4h2b:

The structure of Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Calcium (Ca) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin (pdb code 4h2b). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin, PDB code: 4h2b:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4h2b

Go back to Zinc Binding Sites List in 4h2b
Zinc binding site 1 out of 2 in the Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn601

b:10.5
occ:1.00
O A:HOH727 2.0 10.6 1.0
OD1 A:ASN117 2.0 10.9 1.0
NE2 A:HIS220 2.1 9.4 1.0
ND1 A:HIS243 2.2 12.7 1.0
OD2 A:ASP85 2.2 10.8 1.0
CE1 A:HIS243 3.0 13.7 1.0
CD2 A:HIS220 3.0 9.9 1.0
CE1 A:HIS220 3.1 9.4 1.0
CG A:ASP85 3.1 8.2 1.0
CG A:ASN117 3.1 11.6 1.0
O A:HOH702 3.2 12.5 1.0
ZN A:ZN602 3.2 11.1 1.0
CG A:HIS243 3.2 11.1 1.0
OD1 A:ASP85 3.5 9.4 1.0
CA A:HIS243 3.6 9.6 1.0
OD1 A:ASP36 3.6 9.9 1.0
CB A:HIS243 3.6 9.8 1.0
ND2 A:ASN117 3.7 11.7 1.0
O A:HIS243 4.1 12.0 1.0
ND1 A:HIS220 4.2 8.9 1.0
CG A:HIS220 4.2 8.9 1.0
NE2 A:HIS243 4.2 14.5 1.0
CB A:ASP85 4.2 8.6 1.0
CD2 A:HIS243 4.3 13.5 1.0
CD2 A:HIS118 4.3 10.8 1.0
C A:HIS243 4.3 10.3 1.0
N A:ASN117 4.4 10.1 1.0
CB A:ASN117 4.4 10.1 1.0
N A:HIS243 4.5 8.4 1.0
O A:HOH748 4.8 10.8 1.0
CG A:ASP36 4.8 10.6 1.0
CA A:ASN117 4.9 10.4 1.0
NE2 A:HIS38 4.9 11.2 1.0
N A:HIS118 5.0 10.5 1.0

Zinc binding site 2 out of 2 in 4h2b

Go back to Zinc Binding Sites List in 4h2b
Zinc binding site 2 out of 2 in the Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human Ecto-5'-Nucleotidase (CD73): Crystal Form II (Open) in Complex with Baicalin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn602

b:11.1
occ:1.00
OD1 A:ASP36 2.0 9.9 1.0
O A:HOH727 2.0 10.6 1.0
O A:HOH748 2.1 10.8 1.0
NE2 A:HIS38 2.1 11.2 1.0
OD2 A:ASP85 2.2 10.8 1.0
CE1 A:HIS38 3.0 10.8 1.0
CG A:ASP36 3.1 10.6 1.0
CD2 A:HIS38 3.1 9.7 1.0
CG A:ASP85 3.2 8.2 1.0
ZN A:ZN601 3.2 10.5 1.0
CB A:ASP85 3.4 8.6 1.0
CB A:ASP36 3.7 8.8 1.0
OG A:SER520 3.7 15.9 0.5
OD1 A:ASN245 4.1 14.3 1.0
O A:HOH702 4.1 12.5 1.0
OD2 A:ASP36 4.1 9.4 1.0
O A:HIS243 4.2 12.0 1.0
ND1 A:HIS38 4.2 10.3 1.0
O A:HOH745 4.2 16.0 1.0
CG A:HIS38 4.2 10.1 1.0
CA A:ASP36 4.2 8.4 1.0
NE2 A:HIS220 4.3 9.4 1.0
CE1 A:HIS220 4.3 9.4 1.0
CD2 A:HIS118 4.3 10.8 1.0
OD1 A:ASP85 4.4 9.4 1.0
O A:HOH735 4.4 15.6 1.0
CA A:HIS243 4.5 9.6 1.0
C A:HIS243 4.7 10.3 1.0
ND1 A:HIS243 4.8 12.7 1.0
CB A:SER520 4.8 13.1 0.5
OD1 A:ASN117 4.8 10.9 1.0
NE2 A:HIS118 4.9 12.4 1.0
CA A:ASP85 4.9 9.2 1.0

Reference:

K.Knapp, M.Zebisch, J.Pippel, A.El-Tayeb, C.E.Muller, N.Strater. Crystal Structure of the Human Ecto-5'-Nucleotidase (CD73): Insights Into the Regulation of Purinergic Signaling. Structure V. 20 2161 2012.
ISSN: ISSN 0969-2126
PubMed: 23142347
DOI: 10.1016/J.STR.2012.10.001
Page generated: Wed Dec 16 05:21:26 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy