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Tungsten in PDB 3kbp: Kidney Bean Purple Acid Phosphatase

Enzymatic activity of Kidney Bean Purple Acid Phosphatase

All present enzymatic activity of Kidney Bean Purple Acid Phosphatase:
3.1.3.2;

Protein crystallography data

The structure of Kidney Bean Purple Acid Phosphatase, PDB code: 3kbp was solved by T.Klabunde, N.Strater, B.Krebs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 3.00
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 132.700, 347.300, 128.700, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 22

Other elements in 3kbp:

The structure of Kidney Bean Purple Acid Phosphatase also contains other interesting chemical elements:

Iron (Fe) 4 atoms
Zinc (Zn) 4 atoms

Tungsten Binding Sites:

The binding sites of Tungsten atom in the Kidney Bean Purple Acid Phosphatase (pdb code 3kbp). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 4 binding sites of Tungsten where determined in the Kidney Bean Purple Acid Phosphatase, PDB code: 3kbp:
Jump to Tungsten binding site number: 1; 2; 3; 4;

Tungsten binding site 1 out of 4 in 3kbp

Go back to Tungsten Binding Sites List in 3kbp
Tungsten binding site 1 out of 4 in the Kidney Bean Purple Acid Phosphatase


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Kidney Bean Purple Acid Phosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W440

b:45.0
occ:1.00
W A:WO4440 0.0 45.0 1.0
O3 A:WO4440 1.6 22.0 1.0
O2 A:WO4440 1.7 21.2 1.0
O1 A:WO4440 1.7 34.4 1.0
O4 A:WO4440 1.8 33.8 1.0
FE A:FE438 3.1 13.8 1.0
ZN A:ZN439 3.2 13.8 1.0
NE2 A:HIS202 3.6 18.3 1.0
NE2 A:HIS325 3.8 15.9 1.0
CD2 A:HIS202 3.8 17.8 1.0
OD2 A:ASP164 3.8 15.2 1.0
NE2 A:HIS296 3.9 21.5 1.0
CE1 A:HIS325 4.0 26.3 1.0
ND2 A:ASN201 4.1 19.3 1.0
ND1 A:HIS323 4.1 13.9 1.0
CE1 A:HIS323 4.2 15.7 1.0
OD1 A:ASN201 4.4 20.4 1.0
O A:HIS323 4.5 20.2 1.0
CE1 A:HIS296 4.6 21.4 1.0
OH A:TYR167 4.6 11.8 1.0
CG A:ASN201 4.7 20.0 1.0
CE1 A:HIS295 4.8 38.6 1.0
CE2 A:TYR167 4.8 3.0 1.0
CE1 A:HIS202 4.9 19.6 1.0
CD2 A:HIS325 4.9 20.1 1.0
CG A:ASP164 4.9 21.1 1.0

Tungsten binding site 2 out of 4 in 3kbp

Go back to Tungsten Binding Sites List in 3kbp
Tungsten binding site 2 out of 4 in the Kidney Bean Purple Acid Phosphatase


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Kidney Bean Purple Acid Phosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:W440

b:56.8
occ:1.00
W B:WO4440 0.0 56.8 1.0
O2 B:WO4440 1.7 34.2 1.0
O3 B:WO4440 1.7 39.6 1.0
O1 B:WO4440 1.7 47.9 1.0
O4 B:WO4440 1.9 42.2 1.0
FE B:FE438 3.0 32.9 1.0
ZN B:ZN439 3.3 31.2 1.0
NE2 B:HIS202 3.6 39.1 1.0
NE2 B:HIS325 3.7 42.9 1.0
CD2 B:HIS202 3.8 35.6 1.0
OD2 B:ASP164 3.8 34.0 1.0
CE1 B:HIS325 3.9 49.5 1.0
NE2 B:HIS296 4.0 56.8 1.0
ND1 B:HIS323 4.2 26.4 1.0
ND2 B:ASN201 4.2 36.2 1.0
CE1 B:HIS323 4.3 24.8 1.0
O B:HIS323 4.5 34.1 1.0
OH B:TYR167 4.5 31.7 1.0
OD1 B:ASN201 4.6 34.4 1.0
CE1 B:HIS296 4.6 58.2 1.0
CE2 B:TYR167 4.7 30.7 1.0
CE1 B:HIS295 4.8 71.6 1.0
CG B:ASN201 4.8 34.5 1.0
CE1 B:HIS202 4.8 36.4 1.0
CD2 B:HIS325 4.9 44.3 1.0
CG B:ASP164 5.0 36.6 1.0
OD2 B:ASP135 5.0 33.2 1.0

Tungsten binding site 3 out of 4 in 3kbp

Go back to Tungsten Binding Sites List in 3kbp
Tungsten binding site 3 out of 4 in the Kidney Bean Purple Acid Phosphatase


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Kidney Bean Purple Acid Phosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:W440

b:45.5
occ:1.00
W C:WO4440 0.0 45.5 1.0
O3 C:WO4440 1.6 27.0 1.0
O2 C:WO4440 1.6 25.3 1.0
O1 C:WO4440 1.7 30.0 1.0
O4 C:WO4440 1.8 27.5 1.0
FE C:FE438 3.0 17.5 1.0
ZN C:ZN439 3.2 21.1 1.0
NE2 C:HIS202 3.6 32.8 1.0
NE2 C:HIS325 3.7 20.8 1.0
OD2 C:ASP164 3.8 21.9 1.0
CD2 C:HIS202 3.8 29.2 1.0
CE1 C:HIS325 3.9 24.5 1.0
NE2 C:HIS296 4.0 18.4 1.0
ND2 C:ASN201 4.2 24.3 1.0
ND1 C:HIS323 4.2 18.2 1.0
CE1 C:HIS323 4.3 17.1 1.0
OD1 C:ASN201 4.5 20.7 1.0
OH C:TYR167 4.5 18.3 1.0
O C:HIS323 4.6 25.1 1.0
CE1 C:HIS296 4.7 21.7 1.0
CG C:ASN201 4.8 20.2 1.0
CE2 C:TYR167 4.8 12.6 1.0
CE1 C:HIS295 4.8 44.5 1.0
CD2 C:HIS325 4.8 20.2 1.0
CG C:ASP164 4.9 26.1 1.0
CE1 C:HIS202 4.9 31.8 1.0
OD2 C:ASP135 4.9 22.6 1.0

Tungsten binding site 4 out of 4 in 3kbp

Go back to Tungsten Binding Sites List in 3kbp
Tungsten binding site 4 out of 4 in the Kidney Bean Purple Acid Phosphatase


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Kidney Bean Purple Acid Phosphatase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:W440

b:52.5
occ:1.00
W D:WO4440 0.0 52.5 1.0
O3 D:WO4440 1.7 35.0 1.0
O2 D:WO4440 1.7 30.3 1.0
O1 D:WO4440 1.7 45.8 1.0
O4 D:WO4440 1.9 36.3 1.0
FE D:FE438 3.1 26.7 1.0
ZN D:ZN439 3.2 27.2 1.0
NE2 D:HIS202 3.6 29.2 1.0
CD2 D:HIS202 3.8 31.4 1.0
NE2 D:HIS325 3.8 34.4 1.0
OD2 D:ASP164 3.8 27.5 1.0
NE2 D:HIS296 4.0 28.3 1.0
CE1 D:HIS325 4.0 40.7 1.0
ND1 D:HIS323 4.1 27.7 1.0
ND2 D:ASN201 4.1 36.7 1.0
CE1 D:HIS323 4.2 28.4 1.0
OD1 D:ASN201 4.5 33.7 1.0
O D:HIS323 4.6 34.7 1.0
CE1 D:HIS296 4.6 33.6 1.0
OH D:TYR167 4.6 28.3 1.0
CG D:ASN201 4.8 34.7 1.0
CE1 D:HIS295 4.8 58.2 1.0
CE2 D:TYR167 4.8 18.5 1.0
CE1 D:HIS202 4.8 30.7 1.0
CD2 D:HIS325 4.9 38.4 1.0
CG D:ASP164 4.9 28.9 1.0

Reference:

T.Klabunde, N.Strater, R.Frohlich, H.Witzel, B.Krebs. Mechanism of Fe(III)-Zn(II) Purple Acid Phosphatase Based on Crystal Structures. J.Mol.Biol. V. 259 737 1996.
ISSN: ISSN 0022-2836
PubMed: 8683579
DOI: 10.1006/JMBI.1996.0354
Page generated: Thu Oct 29 07:08:26 2020

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