Zinc in PDB 6fqe: Phosphotriesterase PTE_A53_4

Enzymatic activity of Phosphotriesterase PTE_A53_4

All present enzymatic activity of Phosphotriesterase PTE_A53_4:
3.1.8.1;

Protein crystallography data

The structure of Phosphotriesterase PTE_A53_4, PDB code: 6fqe was solved by O.Dym, N.Aggarwal, S.Albeck, T.Unger, S.Hamer Rogotner, I.Silman, H.Leader, Y.Ashani, M.Goldsmith, P.Greisen, D.Tawfik, L.J.Sussman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.14 / 1.75
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.550, 81.300, 70.610, 90.00, 94.96, 90.00
R / Rfree (%) 16 / 18.7

Zinc Binding Sites:

The binding sites of Zinc atom in the Phosphotriesterase PTE_A53_4 (pdb code 6fqe). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Phosphotriesterase PTE_A53_4, PDB code: 6fqe:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 6fqe

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Zinc binding site 1 out of 4 in the Phosphotriesterase PTE_A53_4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Phosphotriesterase PTE_A53_4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn402

b:11.8
occ:1.00
OAF A:D6K404 1.9 15.7 1.0
NE2 A:HIS57 2.0 9.3 1.0
O2 A:FMT401 2.1 11.8 1.0
NE2 A:HIS55 2.1 8.2 1.0
OD1 A:ASP301 2.2 11.1 1.0
CD2 A:HIS55 2.9 9.7 1.0
CAL A:D6K404 3.0 16.5 1.0
CE1 A:HIS57 3.0 10.2 1.0
CD2 A:HIS57 3.0 9.8 1.0
CG A:ASP301 3.1 8.4 1.0
CE1 A:HIS55 3.2 8.9 1.0
C A:FMT401 3.3 11.1 1.0
CAH A:D6K404 3.3 9.1 1.0
OD2 A:ASP301 3.4 10.0 1.0
O1 A:FMT401 3.5 9.9 1.0
CAI A:D6K404 3.7 22.9 1.0
ZN A:ZN403 3.8 10.8 1.0
CG2 A:VAL101 4.0 10.6 1.0
O A:HOH501 4.0 36.7 1.0
CE1 A:HIS230 4.1 9.8 1.0
ND1 A:HIS57 4.1 10.0 1.0
CG A:HIS57 4.1 9.0 1.0
CG A:HIS55 4.1 10.8 1.0
OAJ A:D6K404 4.2 15.7 1.0
ND1 A:HIS55 4.2 7.7 1.0
NE2 A:HIS230 4.4 10.1 1.0
CB A:ASP301 4.4 11.4 1.0
CAE A:D6K404 4.4 19.5 1.0
NZ A:LYS169 4.5 11.8 1.0
CAK A:D6K404 4.6 21.1 1.0
OAG A:D6K404 4.7 27.1 1.0
CAA A:D6K404 4.7 18.8 1.0
CA A:ASP301 4.9 8.3 1.0

Zinc binding site 2 out of 4 in 6fqe

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Zinc binding site 2 out of 4 in the Phosphotriesterase PTE_A53_4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Phosphotriesterase PTE_A53_4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn403

b:10.8
occ:1.00
O1 A:FMT401 2.0 9.9 1.0
NE2 A:HIS230 2.0 10.1 1.0
ND1 A:HIS201 2.0 11.6 1.0
O A:HOH501 2.1 36.7 1.0
CAL A:D6K404 2.9 16.5 1.0
CD2 A:HIS230 3.0 9.8 1.0
CE1 A:HIS201 3.0 15.3 1.0
CE1 A:HIS230 3.0 9.8 1.0
CG A:HIS201 3.1 12.4 1.0
OAF A:D6K404 3.1 15.7 1.0
C A:FMT401 3.2 11.1 1.0
O2 A:FMT401 3.3 11.8 1.0
CB A:HIS201 3.5 9.2 1.0
ZN A:ZN402 3.8 11.8 1.0
OAJ A:D6K404 3.8 15.7 1.0
CAH A:D6K404 3.9 9.1 1.0
NE1 A:TRP131 4.0 17.5 1.0
ND1 A:HIS230 4.1 9.4 1.0
CG A:HIS230 4.1 9.0 1.0
NE2 A:HIS201 4.1 15.5 1.0
CD2 A:HIS201 4.2 12.0 1.0
CE1 A:HIS55 4.2 8.9 1.0
NE2 A:HIS55 4.3 8.2 1.0
O A:HOH522 4.3 20.9 1.0
CA A:HIS201 4.3 10.1 1.0
NZ A:LYS169 4.5 11.8 1.0
CD1 A:TRP131 4.5 15.1 1.0
OD2 A:ASP301 4.7 10.0 1.0
CE A:LYS169 4.8 9.8 1.0

Zinc binding site 3 out of 4 in 6fqe

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Zinc binding site 3 out of 4 in the Phosphotriesterase PTE_A53_4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Phosphotriesterase PTE_A53_4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn402

b:16.4
occ:1.00
OAF B:D6K404 1.8 28.9 1.0
NE2 B:HIS57 2.0 14.0 1.0
O2 B:FMT401 2.1 16.1 1.0
NE2 B:HIS55 2.1 11.4 1.0
OD1 B:ASP301 2.3 14.2 1.0
CAL B:D6K404 2.9 24.3 1.0
CE1 B:HIS57 3.0 16.4 1.0
CD2 B:HIS55 3.0 15.2 1.0
CD2 B:HIS57 3.1 13.8 1.0
CG B:ASP301 3.1 15.9 1.0
CE1 B:HIS55 3.2 13.4 1.0
CAH B:D6K404 3.3 22.7 1.0
C B:FMT401 3.3 14.1 1.0
OD2 B:ASP301 3.3 14.1 1.0
O1 B:FMT401 3.7 12.5 1.0
O B:HOH501 3.8 31.1 1.0
CAI B:D6K404 3.8 30.6 1.0
ZN B:ZN403 3.9 15.1 1.0
CE1 B:HIS230 4.0 15.6 1.0
CG2 B:VAL101 4.1 10.9 1.0
OAJ B:D6K404 4.1 33.7 1.0
ND1 B:HIS57 4.1 10.8 1.0
CG B:HIS57 4.2 14.1 1.0
CG B:HIS55 4.2 12.6 1.0
ND1 B:HIS55 4.3 12.4 1.0
CAE B:D6K404 4.3 31.1 1.0
NE2 B:HIS230 4.3 14.3 1.0
CB B:ASP301 4.4 10.9 1.0
CAK B:D6K404 4.5 35.9 1.0
NZ B:LYS169 4.6 16.2 1.0
OAG B:D6K404 4.7 38.4 1.0
CAA B:D6K404 4.8 25.9 1.0
CA B:ASP301 4.9 10.7 1.0

Zinc binding site 4 out of 4 in 6fqe

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Zinc binding site 4 out of 4 in the Phosphotriesterase PTE_A53_4


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Phosphotriesterase PTE_A53_4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn403

b:15.1
occ:1.00
O1 B:FMT401 2.0 12.5 1.0
NE2 B:HIS230 2.0 14.3 1.0
ND1 B:HIS201 2.1 15.0 1.0
O B:HOH501 2.3 31.1 1.0
CD2 B:HIS230 2.9 13.2 1.0
CE1 B:HIS201 3.0 15.9 1.0
CAL B:D6K404 3.0 24.3 1.0
CE1 B:HIS230 3.1 15.6 1.0
CG B:HIS201 3.1 13.8 1.0
C B:FMT401 3.2 14.1 1.0
O2 B:FMT401 3.2 16.1 1.0
CB B:HIS201 3.5 13.8 1.0
OAF B:D6K404 3.5 28.9 1.0
CAH B:D6K404 3.8 22.7 1.0
ZN B:ZN402 3.9 16.4 1.0
OAJ B:D6K404 4.0 33.7 1.0
NE1 B:TRP131 4.0 19.2 1.0
CG B:HIS230 4.1 11.9 1.0
ND1 B:HIS230 4.1 13.4 1.0
NE2 B:HIS201 4.2 16.4 1.0
CD2 B:HIS201 4.2 18.7 1.0
CE1 B:HIS55 4.3 13.4 1.0
NE2 B:HIS55 4.3 11.4 1.0
CA B:HIS201 4.4 13.9 1.0
CD1 B:TRP131 4.5 17.3 1.0
NZ B:LYS169 4.6 16.2 1.0
OD2 B:ASP301 4.8 14.1 1.0
CE B:LYS169 4.8 14.6 1.0

Reference:

O.Dym, N.Aggarwal, S.Albeck, T.Unger, S.Hamer Rogotner, I.Silman, H.Leader, Y.Ashani, M.Goldsmith, P.Greisen, D.Tawfik, L.J.Sussman. Phosphotriesterase PTE_A53_4 To Be Published.
Page generated: Wed Dec 16 11:49:09 2020

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