Atomistry » Zinc » PDB 3h67-3hi2 » 3h69
Atomistry »
  Zinc »
    PDB 3h67-3hi2 »
      3h69 »

Zinc in PDB 3h69: Catalytic Domain of Human Serine/Threonine Phosphatase 5 (PP5C) with Two ZN2+ Atoms Complexed with Endothall

Enzymatic activity of Catalytic Domain of Human Serine/Threonine Phosphatase 5 (PP5C) with Two ZN2+ Atoms Complexed with Endothall

All present enzymatic activity of Catalytic Domain of Human Serine/Threonine Phosphatase 5 (PP5C) with Two ZN2+ Atoms Complexed with Endothall:
3.1.3.16;

Protein crystallography data

The structure of Catalytic Domain of Human Serine/Threonine Phosphatase 5 (PP5C) with Two ZN2+ Atoms Complexed with Endothall, PDB code: 3h69 was solved by I.Bertini, V.Calderone, M.Fragai, C.Luchinat, E.Talluri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.32 / 2.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 154.535, 41.778, 105.483, 90.00, 97.28, 90.00
R / Rfree (%) 16.2 / 22.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Catalytic Domain of Human Serine/Threonine Phosphatase 5 (PP5C) with Two ZN2+ Atoms Complexed with Endothall (pdb code 3h69). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Catalytic Domain of Human Serine/Threonine Phosphatase 5 (PP5C) with Two ZN2+ Atoms Complexed with Endothall, PDB code: 3h69:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 3h69

Go back to Zinc Binding Sites List in 3h69
Zinc binding site 1 out of 4 in the Catalytic Domain of Human Serine/Threonine Phosphatase 5 (PP5C) with Two ZN2+ Atoms Complexed with Endothall


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Catalytic Domain of Human Serine/Threonine Phosphatase 5 (PP5C) with Two ZN2+ Atoms Complexed with Endothall within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn500

b:4.7
occ:0.90
 OD1 A:ASN303 2.0 16.9 1.0
O4 A:ENL0 2.0 22.7 1.0
NE2 A:HIS352 2.0 3.9 1.0
ND1 A:HIS427 2.1 9.4 1.0
O3 A:ENL0 2.4 25.6 1.0
OD2 A:ASP271 2.6 12.3 1.0
C7 A:ENL0 2.6 27.9 1.0
CE1 A:HIS427 2.9 11.9 1.0
CD2 A:HIS352 3.0 11.4 1.0
CE1 A:HIS352 3.0 3.0 1.0
CG A:ASN303 3.1 13.8 1.0
CG A:HIS427 3.2 10.7 1.0
CG A:ASP271 3.4 12.1 1.0
ZN A:ZN501 3.5 5.4 0.9
CA A:HIS427 3.6 11.3 1.0
ND2 A:ASN303 3.7 14.7 1.0
CB A:HIS427 3.7 9.9 1.0
OD2 A:ASP242 3.8 16.5 1.0
OD1 A:ASP271 3.8 8.7 1.0
C2 A:ENL0 4.0 35.4 1.0
C3 A:ENL0 4.1 29.9 1.0
NE2 A:HIS427 4.1 14.5 1.0
ND1 A:HIS352 4.1 12.6 1.0
CG A:HIS352 4.2 10.3 1.0
O1 A:ENL0 4.2 30.1 1.0
O A:HIS427 4.2 14.8 1.0
CD2 A:HIS427 4.3 8.7 1.0
CB A:ASN303 4.3 12.9 1.0
N A:ASN303 4.3 11.8 1.0
C A:HIS427 4.4 11.4 1.0
O A:LEU385 4.4 11.0 1.0
O2 A:ENL0 4.6 28.1 0.5
CB A:ASP271 4.6 12.2 1.0
N A:HIS427 4.6 9.7 1.0
CD2 A:HIS304 4.8 14.0 1.0
CG A:ASP242 4.8 15.5 1.0
O2 A:ENL0 4.8 30.8 0.5
CA A:ASN303 4.9 14.2 1.0
C8 A:ENL0 4.9 32.4 0.5
OD1 A:ASP242 5.0 16.3 1.0

Zinc binding site 2 out of 4 in 3h69

Go back to Zinc Binding Sites List in 3h69
Zinc binding site 2 out of 4 in the Catalytic Domain of Human Serine/Threonine Phosphatase 5 (PP5C) with Two ZN2+ Atoms Complexed with Endothall


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Catalytic Domain of Human Serine/Threonine Phosphatase 5 (PP5C) with Two ZN2+ Atoms Complexed with Endothall within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn501

b:5.4
occ:0.90
 O2 A:ENL0 1.8 28.1 0.5
O2 A:ENL0 1.9 30.8 0.5
OD2 A:ASP242 2.0 16.5 1.0
OD2 A:ASP271 2.1 12.3 1.0
NE2 A:HIS244 2.2 15.0 1.0
O4 A:ENL0 2.3 22.7 1.0
O1 A:ENL0 2.5 30.1 1.0
C8 A:ENL0 2.8 32.4 0.5
C8 A:ENL0 2.9 27.9 0.5
C7 A:ENL0 2.9 27.9 1.0
CE1 A:HIS244 3.1 8.9 1.0
CG A:ASP271 3.1 12.1 1.0
CD2 A:HIS244 3.2 11.0 1.0
CG A:ASP242 3.2 15.5 1.0
C6 A:ENL0 3.3 35.1 1.0
C4 A:ENL0 3.4 30.6 1.0
C2 A:ENL0 3.5 35.4 1.0
ZN A:ZN500 3.5 4.7 0.9
C3 A:ENL0 3.5 29.9 1.0
CB A:ASP271 3.7 12.2 1.0
O5 A:ENL0 3.7 28.7 0.5
O3 A:ENL0 3.9 25.6 1.0
CB A:ASP242 3.9 15.4 1.0
O5 A:ENL0 3.9 24.5 0.5
OD1 A:ASP271 4.2 8.7 1.0
OD1 A:ASP242 4.2 16.3 1.0
ND1 A:HIS244 4.2 10.1 1.0
CD2 A:HIS304 4.2 14.0 1.0
CG A:HIS244 4.3 12.7 1.0
CE1 A:HIS352 4.5 3.0 1.0
NE2 A:HIS352 4.5 3.9 1.0
C5 A:ENL0 4.6 34.3 1.0
NE2 A:HIS304 4.7 15.3 1.0
OD1 A:ASN303 4.7 16.9 1.0
C1 A:ENL0 4.8 40.2 1.0
CA A:HIS427 4.8 11.3 1.0
CE1 A:PHE446 4.9 20.1 1.0

Zinc binding site 3 out of 4 in 3h69

Go back to Zinc Binding Sites List in 3h69
Zinc binding site 3 out of 4 in the Catalytic Domain of Human Serine/Threonine Phosphatase 5 (PP5C) with Two ZN2+ Atoms Complexed with Endothall


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Catalytic Domain of Human Serine/Threonine Phosphatase 5 (PP5C) with Two ZN2+ Atoms Complexed with Endothall within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn500

b:7.1
occ:0.90
 OD1 D:ASN303 2.0 21.4 1.0
NE2 D:HIS352 2.1 12.4 1.0
O4 D:ENL0 2.1 35.5 1.0
O3 D:ENL0 2.1 38.3 1.0
ND1 D:HIS427 2.1 16.7 1.0
C7 D:ENL0 2.4 37.1 1.0
OD2 D:ASP271 2.6 17.1 1.0
CE1 D:HIS352 3.0 16.8 1.0
CE1 D:HIS427 3.0 18.9 1.0
CG D:ASN303 3.1 20.9 1.0
CD2 D:HIS352 3.1 22.9 1.0
CG D:HIS427 3.2 12.9 1.0
CG D:ASP271 3.4 20.6 1.0
ZN D:ZN501 3.4 7.2 0.9
ND2 D:ASN303 3.5 14.9 1.0
CA D:HIS427 3.5 14.7 1.0
CB D:HIS427 3.6 15.8 1.0
OD1 D:ASP271 3.6 18.2 1.0
C3 D:ENL0 3.8 40.8 1.0
OD2 D:ASP242 3.8 19.5 1.0
C2 D:ENL0 3.9 44.6 1.0
ND1 D:HIS352 4.1 13.7 1.0
NE2 D:HIS427 4.2 18.2 1.0
O D:HIS427 4.2 18.0 1.0
CG D:HIS352 4.2 15.8 1.0
CD2 D:HIS427 4.3 11.6 1.0
O1 D:ENL0 4.3 39.7 1.0
CB D:ASN303 4.4 18.8 1.0
C D:HIS427 4.4 16.9 1.0
N D:ASN303 4.5 19.4 1.0
N D:HIS427 4.5 17.0 1.0
O D:LEU385 4.5 19.8 1.0
O2 D:ENL0 4.6 36.8 0.5
CB D:ASP271 4.6 17.5 1.0
CD2 D:HIS304 4.6 24.7 1.0
O2 D:ENL0 4.7 31.4 0.5
CG D:ASP242 4.8 21.1 1.0
C4 D:ENL0 4.9 41.2 1.0
CA D:ASN303 5.0 20.5 1.0
C8 D:ENL0 5.0 36.1 0.5

Zinc binding site 4 out of 4 in 3h69

Go back to Zinc Binding Sites List in 3h69
Zinc binding site 4 out of 4 in the Catalytic Domain of Human Serine/Threonine Phosphatase 5 (PP5C) with Two ZN2+ Atoms Complexed with Endothall


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Catalytic Domain of Human Serine/Threonine Phosphatase 5 (PP5C) with Two ZN2+ Atoms Complexed with Endothall within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn501

b:7.2
occ:0.90
 O2 D:ENL0 2.0 36.8 0.5
OD2 D:ASP271 2.1 17.1 1.0
O2 D:ENL0 2.1 31.4 0.5
NE2 D:HIS244 2.2 9.0 1.0
OD2 D:ASP242 2.3 19.5 1.0
O4 D:ENL0 2.4 35.5 1.0
O1 D:ENL0 2.6 39.7 1.0
C7 D:ENL0 3.0 37.1 1.0
C8 D:ENL0 3.0 40.5 0.5
CG D:ASP271 3.1 20.6 1.0
C8 D:ENL0 3.1 36.1 0.5
CE1 D:HIS244 3.1 11.6 1.0
CD2 D:HIS244 3.2 11.3 1.0
CG D:ASP242 3.3 21.1 1.0
ZN D:ZN500 3.4 7.1 0.9
C2 D:ENL0 3.4 44.6 1.0
C6 D:ENL0 3.5 44.7 1.0
CB D:ASP271 3.5 17.5 1.0
C3 D:ENL0 3.5 40.8 1.0
C4 D:ENL0 3.6 41.2 1.0
O3 D:ENL0 3.7 38.3 1.0
CB D:ASP242 3.8 22.2 1.0
O5 D:ENL0 4.0 39.4 0.5
O5 D:ENL0 4.1 28.2 0.5
CD2 D:HIS304 4.1 24.7 1.0
OD1 D:ASP271 4.2 18.2 1.0
ND1 D:HIS244 4.2 14.6 1.0
CG D:HIS244 4.3 16.8 1.0
OD1 D:ASP242 4.4 23.7 1.0
CE1 D:HIS352 4.4 16.8 1.0
NE2 D:HIS352 4.4 12.4 1.0
NE2 D:HIS304 4.6 21.3 1.0
CA D:HIS427 4.7 14.7 1.0
CE1 D:PHE446 4.8 19.8 1.0
OD1 D:ASN303 4.8 21.4 1.0
C1 D:ENL0 4.8 47.7 1.0
C5 D:ENL0 4.8 48.0 1.0
CA D:ASP271 5.0 17.4 1.0

Reference:

I.Bertini, V.Calderone, M.Fragai, C.Luchinat, E.Talluri. Structural Basis of Serine/Threonine Phosphatase Inhibition By the Archetypal Small Molecules Cantharidin and Norcantharidin J.Med.Chem. V. 52 4838 2009.
ISSN: ISSN 0022-2623
PubMed: 19601647
DOI: 10.1021/JM900610K
Page generated: Thu Oct 24 14:15:51 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy