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Zinc in PDB 1nto: N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form

Enzymatic activity of N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form

All present enzymatic activity of N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form:
1.1.1.1;

Protein crystallography data

The structure of N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form, PDB code: 1nto was solved by L.Esposito, I.Bruno, F.Sica, C.A.Raia, A.Giordano, M.Rossi, L.Mazzarella, A.Zagari, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.94
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 215.327, 91.594, 118.238, 90.00, 99.20, 90.00
R / Rfree (%) 21 / 24.4

Zinc Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Zinc atom in the N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form (pdb code 1nto). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 12 binding sites of Zinc where determined in the N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form, PDB code: 1nto:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 12 in 1nto

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Zinc binding site 1 out of 12 in the N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn400

b:20.8
occ:1.00
 OE2 A:GLU98 2.1 22.4 1.0
SG A:CYS101 2.3 19.4 1.0
SG A:CYS112 2.3 19.2 1.0
SG A:CYS104 2.3 21.5 1.0
CD A:GLU98 3.1 23.2 1.0
CB A:CYS112 3.2 17.1 1.0
CB A:CYS101 3.3 22.5 1.0
CB A:CYS104 3.4 20.0 1.0
CA A:CYS112 3.5 18.0 1.0
CG A:GLU98 3.6 22.6 1.0
N A:GLU98 3.8 25.6 1.0
N A:ASP113 3.8 19.7 1.0
N A:CYS101 3.8 20.9 1.0
N A:GLY99 3.9 22.6 1.0
N A:CYS104 4.1 17.2 1.0
CA A:CYS101 4.1 20.3 1.0
C A:CYS112 4.2 19.5 1.0
OE1 A:GLU98 4.2 21.8 1.0
CA A:CYS104 4.3 18.4 1.0
CA A:GLY97 4.5 24.4 1.0
CA A:GLU98 4.6 24.3 1.0
O A:CYS101 4.6 19.9 1.0
C A:GLY97 4.6 26.0 1.0
C A:CYS101 4.6 22.1 1.0
N A:ASN100 4.6 21.8 1.0
CB A:GLU98 4.7 25.4 1.0
C A:GLU98 4.7 24.6 1.0
N A:CYS112 4.8 17.3 1.0
CA A:GLY99 4.8 22.7 1.0
N A:SER114 4.8 24.1 1.0
C A:GLY99 4.8 22.4 1.0
CA A:ASP113 4.9 24.6 1.0
O A:HOH548 5.0 32.2 1.0
C A:ASN100 5.0 22.8 1.0

Zinc binding site 2 out of 12 in 1nto

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Zinc binding site 2 out of 12 in the N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn500

b:28.8
occ:1.00
 NE2 A:HIS68 2.0 29.1 1.0
OE2 A:GLU69 2.1 28.8 1.0
SG A:CYS154 2.3 25.4 1.0
SG A:CYS38 2.3 30.4 1.0
CE1 A:HIS68 3.0 27.9 1.0
CD2 A:HIS68 3.0 27.5 1.0
CD A:GLU69 3.0 26.7 1.0
CB A:CYS154 3.1 22.5 1.0
CB A:CYS38 3.3 31.8 1.0
CG A:GLU69 3.4 27.2 1.0
ND1 A:HIS68 4.1 28.0 1.0
CG A:HIS68 4.2 26.8 1.0
OE1 A:GLU69 4.2 26.1 1.0
OG A:SER40 4.4 51.1 1.0
O A:HOH588 4.5 37.2 1.0
CA A:CYS38 4.5 34.1 1.0
NH1 A:ARG342 4.5 42.5 1.0
CA A:CYS154 4.6 21.1 1.0
N A:CYS38 4.7 31.1 1.0
O A:HOH563 4.7 30.1 1.0
CB A:SER40 4.7 48.6 1.0
CB A:GLU69 4.9 26.3 1.0

Zinc binding site 3 out of 12 in 1nto

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Zinc binding site 3 out of 12 in the N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn400

b:24.6
occ:1.00
 OE2 B:GLU98 2.1 25.0 1.0
SG B:CYS104 2.2 24.1 1.0
SG B:CYS101 2.3 20.6 1.0
SG B:CYS112 2.4 22.2 1.0
CD B:GLU98 3.1 29.5 1.0
CB B:CYS112 3.1 22.9 1.0
CB B:CYS104 3.3 22.9 1.0
CB B:CYS101 3.4 19.9 1.0
CA B:CYS112 3.5 20.9 1.0
CG B:GLU98 3.5 27.6 1.0
N B:GLU98 3.7 27.8 1.0
N B:CYS101 3.8 20.4 1.0
N B:GLY99 3.9 26.2 1.0
N B:ASP113 3.9 20.1 1.0
N B:CYS104 4.0 20.1 1.0
CA B:CYS101 4.1 19.4 1.0
C B:CYS112 4.2 22.2 1.0
OE1 B:GLU98 4.3 25.8 1.0
CA B:CYS104 4.3 20.8 1.0
CA B:GLY97 4.5 25.4 1.0
N B:ASN100 4.5 23.3 1.0
CA B:GLU98 4.5 27.5 1.0
C B:GLY97 4.5 28.2 1.0
C B:GLU98 4.6 28.1 1.0
CB B:GLU98 4.6 27.2 1.0
C B:CYS101 4.6 18.8 1.0
CA B:GLY99 4.7 25.7 1.0
O B:CYS101 4.7 17.8 1.0
C B:GLY99 4.7 23.5 1.0
N B:SER114 4.8 23.7 1.0
N B:CYS112 4.8 19.4 1.0
C B:ASN100 4.9 22.4 1.0

Zinc binding site 4 out of 12 in 1nto

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Zinc binding site 4 out of 12 in the N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn500

b:41.8
occ:1.00
 NE2 B:HIS68 2.0 38.4 1.0
OE2 B:GLU69 2.1 39.1 1.0
SG B:CYS38 2.3 41.5 1.0
SG B:CYS154 2.4 36.0 1.0
CD2 B:HIS68 3.0 40.2 1.0
CD B:GLU69 3.1 39.3 1.0
CE1 B:HIS68 3.1 37.9 1.0
CB B:CYS154 3.2 34.8 1.0
CB B:CYS38 3.2 41.5 1.0
CG B:GLU69 3.4 39.1 1.0
CG B:HIS68 4.2 39.0 1.0
ND1 B:HIS68 4.2 39.1 1.0
OE1 B:GLU69 4.2 38.0 1.0
O B:HOH567 4.4 40.5 1.0
CA B:CYS38 4.5 43.6 1.0
OG B:SER40 4.6 55.8 1.0
N B:CYS38 4.7 41.5 1.0
CA B:CYS154 4.7 31.6 1.0
CB B:SER40 4.8 54.2 1.0
NH1 B:ARG342 4.9 48.4 1.0
CB B:GLU69 4.9 38.4 1.0

Zinc binding site 5 out of 12 in 1nto

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Zinc binding site 5 out of 12 in the N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn400

b:21.1
occ:1.00
 OE2 C:GLU98 2.1 20.3 1.0
SG C:CYS104 2.3 20.9 1.0
SG C:CYS101 2.3 20.9 1.0
SG C:CYS112 2.3 21.4 1.0
CD C:GLU98 3.0 24.2 1.0
CB C:CYS112 3.1 21.2 1.0
CB C:CYS104 3.4 22.4 1.0
CG C:GLU98 3.4 25.2 1.0
CB C:CYS101 3.4 20.0 1.0
CA C:CYS112 3.5 19.6 1.0
N C:GLU98 3.7 24.3 1.0
N C:CYS101 3.8 19.3 1.0
N C:ASP113 3.8 20.7 1.0
N C:GLY99 3.9 21.6 1.0
N C:CYS104 4.0 17.4 1.0
CA C:CYS101 4.1 18.3 1.0
C C:CYS112 4.1 20.3 1.0
OE1 C:GLU98 4.2 23.4 1.0
CA C:CYS104 4.3 18.6 1.0
CA C:GLY97 4.5 22.4 1.0
CA C:GLU98 4.5 23.7 1.0
CB C:GLU98 4.5 24.7 1.0
N C:ASN100 4.6 19.9 1.0
C C:GLY97 4.6 24.6 1.0
O C:CYS101 4.6 16.9 1.0
C C:GLU98 4.6 25.0 1.0
C C:CYS101 4.7 18.6 1.0
CA C:GLY99 4.7 21.1 1.0
N C:CYS112 4.7 19.3 1.0
C C:GLY99 4.8 19.3 1.0
N C:SER114 4.8 25.1 1.0
O C:HOH555 4.8 29.8 1.0
C C:ASN100 5.0 19.7 1.0

Zinc binding site 6 out of 12 in 1nto

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Zinc binding site 6 out of 12 in the N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn500

b:33.6
occ:1.00
 NE2 C:HIS68 2.1 34.6 1.0
OE2 C:GLU69 2.1 33.8 1.0
SG C:CYS154 2.3 33.6 1.0
SG C:CYS38 2.3 38.9 1.0
CD2 C:HIS68 3.0 34.2 1.0
CD C:GLU69 3.1 33.1 1.0
CE1 C:HIS68 3.1 35.0 1.0
CB C:CYS154 3.1 30.8 1.0
CB C:CYS38 3.3 39.9 1.0
CG C:GLU69 3.4 34.8 1.0
ND1 C:HIS68 4.2 33.8 1.0
CG C:HIS68 4.2 34.5 1.0
OE1 C:GLU69 4.2 35.3 1.0
CA C:CYS38 4.5 41.2 1.0
N C:CYS38 4.6 39.7 1.0
CA C:CYS154 4.6 28.2 1.0
NH1 C:ARG342 4.7 45.5 1.0
OG C:SER40 4.8 51.3 1.0
O C:HOH575 4.9 46.8 1.0
CB C:SER40 4.9 52.1 1.0
CB C:GLU69 5.0 34.3 1.0

Zinc binding site 7 out of 12 in 1nto

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Zinc binding site 7 out of 12 in the N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn400

b:22.5
occ:1.00
 OE2 D:GLU98 2.1 23.6 1.0
SG D:CYS104 2.3 21.3 1.0
SG D:CYS101 2.3 23.6 1.0
SG D:CYS112 2.3 21.1 1.0
CB D:CYS112 3.1 22.9 1.0
CD D:GLU98 3.2 25.9 1.0
CB D:CYS101 3.3 24.2 1.0
CB D:CYS104 3.4 21.4 1.0
CA D:CYS112 3.5 20.1 1.0
CG D:GLU98 3.6 25.6 1.0
N D:CYS101 3.8 22.5 1.0
N D:GLU98 3.8 25.9 1.0
N D:ASP113 3.9 21.9 1.0
N D:GLY99 3.9 27.9 1.0
CA D:CYS101 4.1 22.6 1.0
N D:CYS104 4.1 19.3 1.0
C D:CYS112 4.2 21.9 1.0
OE1 D:GLU98 4.3 23.9 1.0
CA D:CYS104 4.3 19.3 1.0
CA D:GLY97 4.5 24.2 1.0
O D:CYS101 4.6 21.9 1.0
C D:CYS101 4.6 23.0 1.0
CA D:GLU98 4.6 27.3 1.0
N D:ASN100 4.6 24.1 1.0
C D:GLY97 4.6 26.7 1.0
CA D:GLY99 4.7 25.3 1.0
C D:GLU98 4.7 28.4 1.0
CB D:GLU98 4.7 25.5 1.0
C D:GLY99 4.8 25.6 1.0
N D:CYS112 4.8 19.8 1.0
N D:SER114 4.8 23.8 1.0
C D:ASN100 5.0 24.2 1.0

Zinc binding site 8 out of 12 in 1nto

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Zinc binding site 8 out of 12 in the N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn500

b:26.8
occ:1.00
 OE2 D:GLU69 2.0 25.0 1.0
NE2 D:HIS68 2.0 28.6 1.0
SG D:CYS154 2.3 23.4 1.0
SG D:CYS38 2.4 30.3 1.0
CD2 D:HIS68 3.0 26.1 1.0
CD D:GLU69 3.0 23.2 1.0
CE1 D:HIS68 3.1 29.7 1.0
CB D:CYS154 3.1 20.8 1.0
CB D:CYS38 3.3 33.3 1.0
CG D:GLU69 3.4 24.4 1.0
CG D:HIS68 4.1 27.0 1.0
OE1 D:GLU69 4.2 23.6 1.0
ND1 D:HIS68 4.2 28.3 1.0
CA D:CYS38 4.5 34.4 1.0
NH1 D:ARG342 4.6 39.9 1.0
CA D:CYS154 4.6 19.2 1.0
O D:HOH615 4.6 45.3 1.0
N D:CYS38 4.6 30.8 1.0
CB D:SER40 4.7 47.5 1.0
OG D:SER40 4.7 49.5 1.0
O D:HOH557 4.9 31.0 1.0
CB D:GLU69 4.9 23.3 1.0

Zinc binding site 9 out of 12 in 1nto

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Zinc binding site 9 out of 12 in the N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn400

b:23.2
occ:1.00
 OE2 E:GLU98 2.1 23.4 1.0
SG E:CYS112 2.3 24.5 1.0
SG E:CYS101 2.3 23.0 1.0
SG E:CYS104 2.4 22.7 1.0
CD E:GLU98 3.1 23.6 1.0
CB E:CYS112 3.2 21.4 1.0
CB E:CYS101 3.3 23.0 1.0
CB E:CYS104 3.5 20.8 1.0
CG E:GLU98 3.6 22.8 1.0
CA E:CYS112 3.6 21.7 1.0
N E:GLU98 3.7 25.4 1.0
N E:CYS101 3.8 23.5 1.0
N E:GLY99 3.9 24.1 1.0
N E:ASP113 4.0 23.7 1.0
CA E:CYS101 4.1 21.7 1.0
N E:CYS104 4.1 19.9 1.0
OE1 E:GLU98 4.2 26.7 1.0
C E:CYS112 4.2 21.3 1.0
CA E:CYS104 4.3 21.8 1.0
CA E:GLU98 4.5 25.0 1.0
CA E:GLY97 4.5 25.3 1.0
C E:GLY97 4.5 27.2 1.0
N E:ASN100 4.5 22.7 1.0
O E:CYS101 4.6 21.8 1.0
CB E:GLU98 4.6 23.8 1.0
C E:CYS101 4.6 23.0 1.0
C E:GLU98 4.6 26.1 1.0
CA E:GLY99 4.7 23.3 1.0
C E:GLY99 4.7 23.0 1.0
N E:CYS112 4.8 20.1 1.0
N E:SER114 4.8 24.8 1.0
O E:HOH536 4.8 46.3 1.0
C E:ASN100 5.0 21.8 1.0

Zinc binding site 10 out of 12 in 1nto

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Zinc binding site 10 out of 12 in the N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of N249Y Mutant of Alcohol Dehydrogenase From the Archaeon Sulfolobus Solfataricus-Monoclinic Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn500

b:32.3
occ:1.00
 NE2 E:HIS68 2.1 33.0 1.0
OE2 E:GLU69 2.1 33.2 1.0
SG E:CYS38 2.3 34.6 1.0
SG E:CYS154 2.4 30.0 1.0
CD2 E:HIS68 3.0 30.9 1.0
CE1 E:HIS68 3.1 32.3 1.0
CD E:GLU69 3.1 32.6 1.0
CB E:CYS154 3.2 28.1 1.0
CB E:CYS38 3.3 37.0 1.0
CG E:GLU69 3.5 29.6 1.0
CG E:HIS68 4.2 30.6 1.0
ND1 E:HIS68 4.2 30.3 1.0
OE1 E:GLU69 4.3 31.9 1.0
CA E:CYS38 4.5 38.2 1.0
N E:CYS38 4.6 35.4 1.0
CA E:CYS154 4.7 24.4 1.0
O E:HOH552 4.7 28.6 1.0
NH1 E:ARG342 4.7 44.7 1.0
OG E:SER40 4.9 51.3 1.0
CB E:SER40 4.9 51.1 1.0

Reference:

L.Esposito, I.Bruno, F.Sica, C.A.Raia, A.Giordano, M.Rossi, L.Mazzarella, A.Zagari. Structural Study of A Single-Point Mutant of Sulfolobus Solfataricus Alcohol Dehydrogenase with Enhanced Activity. Febs Lett. V. 539 14 2003.
ISSN: ISSN 0014-5793
PubMed: 12650918
DOI: 10.1016/S0014-5793(03)00173-X
Page generated: Wed Oct 16 17:22:27 2024

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