Atomistry » Zinc » PDB 6g3o-6gcn » 6g46
Atomistry »
  Zinc »
    PDB 6g3o-6gcn »
      6g46 »

Zinc in PDB 6g46: Red Kidney Bean Purple Acid Phosphatase in Complex with 2-(Naphthalen- 1-Yl)Thiazole-4-Carboxylic Acid

Enzymatic activity of Red Kidney Bean Purple Acid Phosphatase in Complex with 2-(Naphthalen- 1-Yl)Thiazole-4-Carboxylic Acid

All present enzymatic activity of Red Kidney Bean Purple Acid Phosphatase in Complex with 2-(Naphthalen- 1-Yl)Thiazole-4-Carboxylic Acid:
3.1.3.2;

Protein crystallography data

The structure of Red Kidney Bean Purple Acid Phosphatase in Complex with 2-(Naphthalen- 1-Yl)Thiazole-4-Carboxylic Acid, PDB code: 6g46 was solved by D.F.Feder, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.26 / 2.40
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 126.208, 126.208, 297.119, 90.00, 90.00, 120.00
R / Rfree (%) 17.2 / 22.3

Other elements in 6g46:

The structure of Red Kidney Bean Purple Acid Phosphatase in Complex with 2-(Naphthalen- 1-Yl)Thiazole-4-Carboxylic Acid also contains other interesting chemical elements:

Iron (Fe) 4 atoms
Sodium (Na) 3 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Red Kidney Bean Purple Acid Phosphatase in Complex with 2-(Naphthalen- 1-Yl)Thiazole-4-Carboxylic Acid (pdb code 6g46). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Red Kidney Bean Purple Acid Phosphatase in Complex with 2-(Naphthalen- 1-Yl)Thiazole-4-Carboxylic Acid, PDB code: 6g46:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 6g46

Go back to Zinc Binding Sites List in 6g46
Zinc binding site 1 out of 4 in the Red Kidney Bean Purple Acid Phosphatase in Complex with 2-(Naphthalen- 1-Yl)Thiazole-4-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Red Kidney Bean Purple Acid Phosphatase in Complex with 2-(Naphthalen- 1-Yl)Thiazole-4-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn501

b:34.9
occ:1.00
 OD1 A:ASN201 1.9 31.9 1.0
NE2 A:HIS286 2.0 26.5 1.0
OAB A:ELH515 2.2 36.6 0.8
OD2 A:ASP164 2.2 26.5 1.0
ND1 A:HIS323 2.3 30.1 1.0
CE1 A:HIS286 2.9 28.4 1.0
CAM A:ELH515 2.9 27.1 0.8
OAA A:ELH515 3.0 34.3 0.8
CG A:ASN201 3.0 32.6 1.0
CE1 A:HIS323 3.1 27.5 1.0
CD2 A:HIS286 3.1 25.9 1.0
CG A:ASP164 3.1 27.6 1.0
OD1 A:ASP164 3.4 25.9 1.0
CG A:HIS323 3.4 28.7 1.0
FE A:FE502 3.5 32.1 0.8
CA A:HIS323 3.5 29.6 1.0
ND2 A:ASN201 3.5 29.0 1.0
OD2 A:ASP135 3.7 30.6 1.0
CB A:HIS323 3.8 26.4 1.0
ND1 A:HIS286 4.0 27.7 1.0
CAN A:ELH515 4.2 40.1 0.8
CG A:HIS286 4.2 29.8 1.0
N A:ASN201 4.2 25.2 1.0
O A:HIS323 4.3 32.6 1.0
CD2 A:HIS202 4.3 27.6 1.0
NE2 A:HIS323 4.3 29.5 1.0
CB A:ASN201 4.3 25.4 1.0
N A:HIS323 4.4 25.4 1.0
CB A:ASP164 4.4 29.1 1.0
C A:HIS323 4.4 32.0 1.0
CD2 A:HIS323 4.4 28.1 1.0
OH A:TYR253 4.8 25.3 1.0
NAK A:ELH515 4.8 53.5 0.8
CA A:ASN201 4.8 27.6 1.0
CG A:ASP135 4.9 27.0 1.0
NE2 A:HIS202 4.9 35.9 1.0
N A:HIS202 5.0 26.8 1.0

Zinc binding site 2 out of 4 in 6g46

Go back to Zinc Binding Sites List in 6g46
Zinc binding site 2 out of 4 in the Red Kidney Bean Purple Acid Phosphatase in Complex with 2-(Naphthalen- 1-Yl)Thiazole-4-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Red Kidney Bean Purple Acid Phosphatase in Complex with 2-(Naphthalen- 1-Yl)Thiazole-4-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn501

b:36.3
occ:1.00
 OD1 B:ASN201 2.0 36.9 1.0
NE2 B:HIS286 2.1 30.1 1.0
OD2 B:ASP164 2.3 30.1 1.0
ND1 B:HIS323 2.3 30.4 1.0
OAB B:ELH512 2.3 38.3 0.9
CG B:ASN201 3.0 33.8 1.0
CD2 B:HIS286 3.1 29.2 1.0
CE1 B:HIS323 3.1 33.3 1.0
CE1 B:HIS286 3.1 28.9 1.0
CG B:ASP164 3.1 30.9 1.0
CAM B:ELH512 3.2 31.8 0.9
OAA B:ELH512 3.3 37.6 0.9
CG B:HIS323 3.4 33.3 1.0
OD1 B:ASP164 3.4 30.6 1.0
ND2 B:ASN201 3.5 28.5 1.0
CA B:HIS323 3.5 30.8 1.0
FE B:FE502 3.6 30.2 0.7
CB B:HIS323 3.7 30.4 1.0
OD2 B:ASP135 3.8 33.5 1.0
O B:HIS323 4.2 31.2 1.0
ND1 B:HIS286 4.2 29.4 1.0
CG B:HIS286 4.3 29.0 1.0
CD2 B:HIS202 4.3 30.6 1.0
N B:ASN201 4.3 31.3 1.0
NE2 B:HIS323 4.3 34.6 1.0
CB B:ASN201 4.4 26.1 1.0
C B:HIS323 4.4 31.7 1.0
CAN B:ELH512 4.4 45.9 0.9
CD2 B:HIS323 4.4 34.1 1.0
N B:HIS323 4.4 31.2 1.0
CB B:ASP164 4.5 27.9 1.0
OH B:TYR253 4.8 27.7 1.0
CA B:ASN201 4.9 27.8 1.0
NE2 B:HIS202 4.9 31.9 1.0
NAK B:ELH512 4.9 55.7 0.9
CG B:ASP135 4.9 29.8 1.0

Zinc binding site 3 out of 4 in 6g46

Go back to Zinc Binding Sites List in 6g46
Zinc binding site 3 out of 4 in the Red Kidney Bean Purple Acid Phosphatase in Complex with 2-(Naphthalen- 1-Yl)Thiazole-4-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Red Kidney Bean Purple Acid Phosphatase in Complex with 2-(Naphthalen- 1-Yl)Thiazole-4-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn501

b:32.9
occ:0.95
 OD1 D:ASN201 2.0 34.7 1.0
NE2 D:HIS286 2.1 28.7 1.0
ND1 D:HIS323 2.1 27.8 1.0
O2 D:SO4512 2.2 28.2 0.7
OD2 D:ASP164 2.3 30.2 1.0
CE1 D:HIS323 3.0 27.9 1.0
O4 D:SO4512 3.0 39.5 0.7
CE1 D:HIS286 3.0 25.1 1.0
S D:SO4512 3.1 40.4 0.7
CD2 D:HIS286 3.1 24.9 1.0
CG D:ASP164 3.2 32.2 1.0
CG D:ASN201 3.2 32.5 1.0
CG D:HIS323 3.2 32.1 1.0
OD1 D:ASP164 3.4 31.1 1.0
CA D:HIS323 3.5 29.4 1.0
FE D:FE502 3.6 32.7 0.7
CB D:HIS323 3.7 28.8 1.0
OD1 D:ASP135 3.7 32.8 1.0
ND2 D:ASN201 3.8 28.2 1.0
O3 D:SO4512 4.0 33.2 0.7
O D:HIS323 4.1 28.2 1.0
ND1 D:HIS286 4.1 30.6 1.0
NE2 D:HIS323 4.1 26.5 1.0
O1 D:SO4512 4.2 33.4 0.7
CG D:HIS286 4.2 28.0 1.0
CD2 D:HIS202 4.3 33.2 1.0
N D:ASN201 4.3 27.8 1.0
CD2 D:HIS323 4.3 30.4 1.0
C D:HIS323 4.3 28.1 1.0
CB D:ASN201 4.4 30.7 1.0
N D:HIS323 4.5 29.1 1.0
CB D:ASP164 4.5 26.3 1.0
OH D:TYR253 4.8 23.1 1.0
CA D:ASN201 4.9 27.5 1.0
CG D:ASP135 4.9 29.0 1.0
NE2 D:HIS202 4.9 32.8 1.0

Zinc binding site 4 out of 4 in 6g46

Go back to Zinc Binding Sites List in 6g46
Zinc binding site 4 out of 4 in the Red Kidney Bean Purple Acid Phosphatase in Complex with 2-(Naphthalen- 1-Yl)Thiazole-4-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Red Kidney Bean Purple Acid Phosphatase in Complex with 2-(Naphthalen- 1-Yl)Thiazole-4-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn501

b:35.9
occ:1.00
 OD1 C:ASN201 1.9 35.2 1.0
NE2 C:HIS286 2.2 26.3 1.0
ND1 C:HIS323 2.3 26.6 1.0
OD2 C:ASP164 2.3 33.4 1.0
O1 C:SO4510 2.4 28.8 0.6
CG C:ASN201 3.1 32.8 1.0
O3 C:SO4510 3.1 29.9 0.6
CG C:ASP164 3.1 29.8 1.0
CE1 C:HIS323 3.2 31.4 1.0
CD2 C:HIS286 3.2 25.2 1.0
CE1 C:HIS286 3.2 26.5 1.0
S C:SO4510 3.2 35.9 0.6
CG C:HIS323 3.4 29.3 1.0
FE C:FE502 3.4 33.2 0.9
OD1 C:ASP164 3.5 26.8 1.0
CA C:HIS323 3.5 28.9 1.0
OD2 C:ASP135 3.7 32.6 1.0
ND2 C:ASN201 3.7 23.6 1.0
CB C:HIS323 3.7 25.3 1.0
O2 C:SO4510 4.0 33.6 0.6
O C:HIS323 4.1 25.9 1.0
CB C:ASN201 4.3 25.1 1.0
N C:ASN201 4.3 26.2 1.0
ND1 C:HIS286 4.3 27.4 1.0
CG C:HIS286 4.3 30.4 1.0
NE2 C:HIS323 4.3 31.2 1.0
C C:HIS323 4.3 28.9 1.0
CD2 C:HIS202 4.4 31.8 1.0
CB C:ASP164 4.4 27.4 1.0
O4 C:SO4510 4.4 38.0 0.6
N C:HIS323 4.4 30.3 1.0
CD2 C:HIS323 4.4 27.4 1.0
CG C:ASP135 4.8 30.0 1.0
CA C:ASN201 4.8 29.8 1.0
OH C:TYR253 4.9 28.1 1.0
OH C:TYR167 5.0 31.5 1.0

Reference:

W.M.Hussein, D.Feder, G.Schenk, L.W.Guddat, R.P.Mcgeary. Purple Acid Phosphatase Inhibitors As Leads For Osteoporosis Chemotherapeutics. Eur J Med Chem V. 157 462 2018.
ISSN: ISSN 1768-3254
PubMed: 30107365
DOI: 10.1016/J.EJMECH.2018.08.004
Page generated: Mon Oct 28 21:35:53 2024

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy