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Zinc in PDB 1ew8: Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid

Enzymatic activity of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid

All present enzymatic activity of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid:
3.1.3.1;

Protein crystallography data

The structure of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid, PDB code: 1ew8 was solved by K.M.Holtz, B.Stec, J.K.Myers, S.M.Antonelli, T.S.Widlanski, E.R.Kantrowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 12.00 / 2.20
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 194.770, 167.190, 76.590, 90.00, 90.00, 90.00
R / Rfree (%) 19.6 / 25.7

Other elements in 1ew8:

The structure of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid (pdb code 1ew8). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid, PDB code: 1ew8:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in 1ew8

Go back to Zinc Binding Sites List in 1ew8
Zinc binding site 1 out of 6 in the Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn450

b:16.3
occ:1.00
 O2P A:PAE556 1.8 36.6 0.5
O2 A:PO4557 1.8 38.0 0.5
NE2 A:HIS412 2.0 19.6 1.0
NE2 A:HIS331 2.1 19.6 1.0
OD1 A:ASP327 2.3 10.6 1.0
OD2 A:ASP327 2.4 14.2 1.0
CG A:ASP327 2.7 12.5 1.0
P A:PAE556 2.9 36.5 0.5
CE1 A:HIS412 2.9 19.1 1.0
CD2 A:HIS412 3.0 19.7 1.0
CD2 A:HIS331 3.0 19.0 1.0
P A:PO4557 3.0 37.9 0.5
CE1 A:HIS331 3.1 19.3 1.0
O3 A:PO4557 3.2 38.2 0.5
O1 A:PAE556 3.2 33.2 0.5
O3P A:PAE556 3.3 36.5 0.5
C1 A:PAE556 3.6 32.7 0.5
C1P A:PAE556 3.7 34.2 0.5
NE2 A:HIS372 3.8 20.6 1.0
O4 A:PO4557 3.9 36.7 0.5
CE1 A:HIS370 4.0 15.1 1.0
ZN A:ZN451 4.0 20.7 1.0
NE2 A:HIS370 4.0 18.9 1.0
ND1 A:HIS412 4.1 17.7 1.0
O1 A:PO4557 4.1 38.5 0.5
O2 A:PAE556 4.1 22.9 0.5
CG A:HIS412 4.1 16.9 1.0
O1P A:PAE556 4.2 37.0 0.5
CB A:ASP327 4.2 13.7 1.0
CG A:HIS331 4.2 19.6 1.0
ND1 A:HIS331 4.2 20.1 1.0
O A:HOH5041 4.3 14.2 1.0
OD1 A:ASP51 4.4 5.9 1.0
CD2 A:HIS372 4.6 19.8 1.0
CE1 A:HIS372 4.7 20.8 1.0
O A:ASP327 4.9 13.0 1.0

Zinc binding site 2 out of 6 in 1ew8

Go back to Zinc Binding Sites List in 1ew8
Zinc binding site 2 out of 6 in the Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn451

b:20.7
occ:1.00
 O3P A:PAE556 1.6 36.5 0.5
O3 A:PO4557 1.8 38.2 0.5
OD1 A:ASP51 1.9 5.9 1.0
OD1 A:ASP369 1.9 11.6 1.0
NE2 A:HIS370 2.0 18.9 1.0
CG A:ASP51 2.7 16.2 1.0
CG A:ASP369 2.9 16.0 1.0
CD2 A:HIS370 2.9 16.1 1.0
OD2 A:ASP51 2.9 25.6 1.0
CE1 A:HIS370 3.0 15.1 1.0
P A:PAE556 3.0 36.5 0.5
CB A:SER102 3.2 21.8 1.0
P A:PO4557 3.2 37.9 0.5
OD2 A:ASP369 3.3 17.9 1.0
OD1 A:ASP327 3.5 10.6 1.0
O2P A:PAE556 3.8 36.6 0.5
CA A:SER102 3.8 18.5 1.0
O4 A:PO4557 3.8 36.7 0.5
CG A:ASP327 3.9 12.5 1.0
O2 A:PO4557 3.9 38.0 0.5
O A:HOH5142 4.0 21.8 1.0
O1P A:PAE556 4.0 37.0 0.5
ND1 A:HIS370 4.0 12.0 1.0
ZN A:ZN450 4.0 16.3 1.0
CG A:HIS370 4.0 11.0 1.0
CE1 A:HIS412 4.0 19.1 1.0
C1P A:PAE556 4.1 34.2 0.5
N A:SER102 4.1 17.2 1.0
CB A:ASP51 4.1 13.4 1.0
O1 A:PO4557 4.2 38.5 0.5
NE2 A:HIS412 4.2 19.6 1.0
CB A:ASP369 4.2 15.6 1.0
N A:GLY52 4.3 10.7 1.0
OD2 A:ASP327 4.4 14.2 1.0
OG A:SER102 4.4 48.2 1.0
O A:HOH5011 4.5 13.7 0.8
O A:HOH5014 4.5 13.7 0.2
CB A:ASP327 4.5 13.7 1.0
CA A:ASP51 4.6 12.7 1.0
C A:ASP51 4.7 12.3 1.0
MG A:MG452 4.8 27.1 0.8
ZN A:ZN453 4.8 27.1 0.2
C A:ASP101 4.9 11.6 1.0
ND1 A:HIS412 4.9 17.7 1.0
CA A:GLY52 4.9 8.3 1.0
O A:HOH5041 5.0 14.2 1.0

Zinc binding site 3 out of 6 in 1ew8

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Zinc binding site 3 out of 6 in the Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn453

b:27.1
occ:0.25
 MG A:MG452 0.0 27.1 0.8
OE2 A:GLU322 1.9 11.6 1.0
O A:HOH5012 2.0 7.7 0.8
O A:HOH5015 2.0 7.7 0.2
OD2 A:ASP51 2.1 25.6 1.0
O A:HOH5011 2.2 13.7 0.8
O A:HOH5014 2.2 13.7 0.2
O A:HOH5013 2.3 16.8 0.8
O A:HOH5016 2.3 16.8 0.2
OG1 A:THR155 2.5 11.4 1.0
CG A:ASP51 3.0 16.2 1.0
CD A:GLU322 3.0 14.1 1.0
CB A:ASP51 3.4 13.4 1.0
CB A:THR155 3.4 15.4 1.0
OE1 A:GLU322 3.4 14.9 1.0
OD2 A:ASP153 3.7 20.6 1.0
OD1 A:ASP51 4.0 5.9 1.0
O A:HOH5041 4.0 14.2 1.0
CB A:ALA324 4.2 12.6 1.0
CG A:GLU322 4.3 12.6 1.0
O1P A:PAE556 4.3 37.0 0.5
N A:THR155 4.3 14.9 1.0
CG2 A:THR155 4.4 8.0 1.0
O1 A:PO4557 4.4 38.5 0.5
O3 A:PO4557 4.5 38.2 0.5
CA A:THR155 4.5 17.0 1.0
CA A:ALA324 4.5 19.2 1.0
O A:HOH5142 4.5 21.8 1.0
O3P A:PAE556 4.5 36.5 0.5
O A:ALA324 4.6 6.7 1.0
CG A:ASP153 4.6 25.5 1.0
CB A:SER102 4.7 21.8 1.0
ZN A:ZN451 4.8 20.7 1.0
CA A:ASP51 4.8 12.7 1.0
OG A:SER102 5.0 48.2 1.0

Zinc binding site 4 out of 6 in 1ew8

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Zinc binding site 4 out of 6 in the Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn450

b:25.5
occ:1.00
 O2 B:PO4557 1.6 39.1 0.4
O2P B:PAE556 1.7 37.8 0.6
NE2 B:HIS331 2.1 8.8 1.0
NE2 B:HIS412 2.2 13.6 1.0
OD1 B:ASP327 2.2 15.6 1.0
OD2 B:ASP327 2.4 18.5 1.0
CG B:ASP327 2.6 14.0 1.0
P B:PAE556 2.9 38.6 0.6
CD2 B:HIS331 3.0 9.7 1.0
P B:PO4557 3.0 39.3 0.4
CD2 B:HIS412 3.0 14.1 1.0
O3P B:PAE556 3.1 38.9 0.6
CE1 B:HIS331 3.1 11.7 1.0
CE1 B:HIS412 3.2 11.8 1.0
O3 B:PO4557 3.3 39.2 0.4
O1 B:PAE556 3.6 36.5 0.6
NE2 B:HIS372 3.8 17.0 1.0
O4 B:PO4557 3.9 38.8 0.4
CE1 B:HIS370 3.9 17.4 1.0
O1 B:PO4557 3.9 39.5 0.4
O1P B:PAE556 3.9 38.8 0.6
C1P B:PAE556 4.0 37.1 0.6
NE2 B:HIS370 4.1 18.7 1.0
ZN B:ZN451 4.1 21.9 1.0
CB B:ASP327 4.1 15.8 1.0
CG B:HIS331 4.1 12.8 1.0
ND1 B:HIS331 4.2 14.5 1.0
CG B:HIS412 4.2 15.4 1.0
O B:HOH5066 4.3 14.9 1.0
ND1 B:HIS412 4.3 14.2 1.0
C1 B:PAE556 4.3 37.8 0.6
OD1 B:ASP51 4.4 16.1 1.0
CD2 B:HIS372 4.5 16.5 1.0
O B:ASP327 4.5 13.0 1.0
CE1 B:HIS372 4.7 13.7 1.0
C B:ASP327 4.8 14.7 1.0
CA B:ASP327 5.0 15.2 1.0

Zinc binding site 5 out of 6 in 1ew8

Go back to Zinc Binding Sites List in 1ew8
Zinc binding site 5 out of 6 in the Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn451

b:21.9
occ:1.00
 O3 B:PO4557 1.8 39.2 0.4
OD1 B:ASP51 1.9 16.1 1.0
OD1 B:ASP369 2.0 18.4 1.0
NE2 B:HIS370 2.1 18.7 1.0
O3P B:PAE556 2.1 38.9 0.6
CG B:ASP51 2.6 14.9 1.0
OD2 B:ASP51 2.7 23.4 1.0
CG B:ASP369 2.9 22.5 1.0
CE1 B:HIS370 3.0 17.4 1.0
CD2 B:HIS370 3.0 18.9 1.0
CB B:SER102 3.0 24.7 1.0
OD2 B:ASP369 3.1 32.0 1.0
P B:PO4557 3.3 39.3 0.4
OG B:SER102 3.4 45.5 1.0
P B:PAE556 3.6 38.6 0.6
OD1 B:ASP327 3.6 15.6 1.0
CG B:ASP327 3.8 14.0 1.0
O2 B:PO4557 3.9 39.1 0.4
CA B:SER102 4.0 21.4 1.0
ND1 B:HIS370 4.0 15.9 1.0
CG B:HIS370 4.0 17.4 1.0
CB B:ASP51 4.1 15.2 1.0
O4 B:PO4557 4.1 38.8 0.4
ZN B:ZN450 4.1 25.5 1.0
O1 B:PO4557 4.1 39.5 0.4
N B:SER102 4.2 18.4 1.0
O2P B:PAE556 4.3 37.8 0.6
CE1 B:HIS412 4.3 11.8 1.0
CB B:ASP327 4.3 15.8 1.0
CB B:ASP369 4.3 18.2 1.0
OD2 B:ASP327 4.3 18.5 1.0
N B:GLY52 4.3 17.6 1.0
O1P B:PAE556 4.3 38.8 0.6
NE2 B:HIS412 4.4 13.6 1.0
O B:HOH5064 4.5 15.4 1.0
CA B:ASP51 4.5 13.7 1.0
O B:HOH5024 4.6 18.4 0.7
O B:HOH5027 4.6 18.4 0.3
C B:ASP51 4.7 14.4 1.0
MG B:MG452 4.7 34.3 0.7
ZN B:ZN453 4.7 34.3 0.3
C1P B:PAE556 4.8 37.1 0.6
O B:HOH5066 4.9 14.9 1.0
O B:HOH5026 5.0 28.1 0.7
O B:HOH5029 5.0 28.1 0.3
CA B:GLY52 5.0 15.6 1.0
C B:ASP101 5.0 16.1 1.0

Zinc binding site 6 out of 6 in 1ew8

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Zinc binding site 6 out of 6 in the Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Alkaline Phosphatase (E.C. 3.1.3.1) Complex with Phosphonoacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn453

b:34.3
occ:0.28
 MG B:MG452 0.0 34.3 0.7
OE1 B:GLU322 1.9 19.2 1.0
O B:HOH5024 1.9 18.4 0.7
O B:HOH5027 1.9 18.4 0.3
O B:HOH5025 2.0 10.4 0.7
O B:HOH5028 2.0 10.4 0.3
O B:HOH5026 2.1 28.1 0.7
O B:HOH5029 2.1 28.1 0.3
OD2 B:ASP51 2.2 23.4 1.0
OG1 B:THR155 2.3 16.2 1.0
CD B:GLU322 3.0 14.5 1.0
CG B:ASP51 3.1 14.9 1.0
CB B:THR155 3.2 14.7 1.0
OE2 B:GLU322 3.5 10.8 1.0
CB B:ASP51 3.6 15.2 1.0
OD2 B:ASP153 3.6 11.1 1.0
CG2 B:THR155 4.1 14.3 1.0
O B:HOH5066 4.1 14.9 1.0
OG B:SER102 4.1 45.5 1.0
OD1 B:ASP51 4.2 16.1 1.0
N B:THR155 4.2 17.9 1.0
CA B:THR155 4.3 18.3 1.0
O B:HOH5064 4.3 15.4 1.0
CG B:GLU322 4.3 15.9 1.0
CA B:ALA324 4.5 19.6 1.0
CB B:ALA324 4.6 24.6 1.0
CB B:SER102 4.6 24.7 1.0
O B:ALA324 4.6 11.6 1.0
CG B:ASP153 4.7 17.7 1.0
O1 B:PO4557 4.7 39.5 0.4
ZN B:ZN451 4.7 21.9 1.0
O3 B:PO4557 4.7 39.2 0.4
OD1 B:ASP369 4.9 18.4 1.0
CA B:ASP51 4.9 13.7 1.0

Reference:

K.M.Holtz, B.Stec, J.K.Myers, S.M.Antonelli, T.S.Widlanski, E.R.Kantrowitz. Alternate Modes of Binding in Two Crystal Structures of Alkaline Phosphatase-Inhibitor Complexes. Protein Sci. V. 9 907 2000.
ISSN: ISSN 0961-8368
PubMed: 10850800
Page generated: Sun Oct 13 00:29:58 2024

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