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Zinc in PDB 3i4c: Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y)

Enzymatic activity of Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y)

All present enzymatic activity of Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y):
1.1.1.1;

Protein crystallography data

The structure of Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y), PDB code: 3i4c was solved by L.Esposito, A.Pennacchio, A.Zagari, M.Rossi, C.A.Raia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.36 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 215.729, 91.545, 118.368, 90.00, 99.20, 90.00
R / Rfree (%) 22.8 / 25

Zinc Binding Sites:

Pages:

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

Binding sites:

The binding sites of Zinc atom in the Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y) (pdb code 3i4c). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 12 binding sites of Zinc where determined in the Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y), PDB code: 3i4c:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 12 in 3i4c

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Zinc binding site 1 out of 12 in the Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn400

b:19.8
occ:1.00
 OE2 A:GLU98 2.1 18.9 1.0
SG A:CYS101 2.3 16.5 1.0
SG A:CYS104 2.3 15.7 1.0
SG A:CYS112 2.3 19.0 1.0
CD A:GLU98 3.1 19.5 1.0
CB A:CYS112 3.2 18.5 1.0
CB A:CYS101 3.3 17.2 1.0
CB A:CYS104 3.3 17.1 1.0
CG A:GLU98 3.4 19.7 1.0
CA A:CYS112 3.6 18.3 1.0
N A:ASP113 3.8 20.0 1.0
N A:CYS101 3.8 18.3 1.0
N A:GLY99 3.9 18.6 1.0
N A:GLU98 3.9 19.1 1.0
CA A:CYS101 4.1 16.0 1.0
N A:CYS104 4.1 16.1 1.0
C A:CYS112 4.1 18.3 1.0
OE1 A:GLU98 4.2 18.1 1.0
CA A:CYS104 4.3 15.8 1.0
CB A:GLU98 4.6 19.7 1.0
CA A:GLU98 4.6 19.9 1.0
CA A:GLY97 4.6 20.3 1.0
C A:CYS101 4.6 17.4 1.0
N A:ASN100 4.6 19.2 1.0
C A:GLY97 4.6 19.5 1.0
CA A:GLY99 4.6 17.1 1.0
O A:CYS101 4.6 15.1 1.0
C A:GLU98 4.7 19.7 1.0
N A:SER114 4.7 22.5 1.0
C A:GLY99 4.8 18.3 1.0
N A:CYS112 4.8 15.9 1.0
CA A:ASP113 4.9 22.8 1.0
C A:ASN100 5.0 19.4 1.0

Zinc binding site 2 out of 12 in 3i4c

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Zinc binding site 2 out of 12 in the Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn500

b:23.1
occ:1.00
 NE2 A:HIS68 2.1 22.4 1.0
OE2 A:GLU69 2.1 21.4 1.0
SG A:CYS38 2.3 26.3 1.0
SG A:CYS154 2.3 18.1 1.0
CD2 A:HIS68 3.0 20.9 1.0
CE1 A:HIS68 3.1 21.4 1.0
CD A:GLU69 3.1 21.4 1.0
CB A:CYS154 3.2 15.7 1.0
CB A:CYS38 3.3 28.4 1.0
CG A:GLU69 3.4 20.7 1.0
CG A:HIS68 4.2 21.9 1.0
ND1 A:HIS68 4.2 21.8 1.0
OE1 A:GLU69 4.2 19.5 1.0
NH1 A:ARG342 4.4 34.5 1.0
CA A:CYS38 4.4 30.4 1.0
O A:HOH373 4.4 27.6 1.0
N A:CYS38 4.5 28.6 1.0
CA A:CYS154 4.7 16.2 1.0
CB A:SER40 4.7 36.7 1.0
OG A:SER40 4.8 34.2 1.0
CB A:GLU69 5.0 19.3 1.0

Zinc binding site 3 out of 12 in 3i4c

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Zinc binding site 3 out of 12 in the Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn400

b:20.0
occ:1.00
 OE2 B:GLU98 2.1 19.8 1.0
SG B:CYS104 2.3 16.6 1.0
SG B:CYS101 2.3 16.4 1.0
SG B:CYS112 2.3 18.3 1.0
CD B:GLU98 3.1 24.1 1.0
CB B:CYS112 3.2 20.0 1.0
CB B:CYS104 3.3 16.1 1.0
CB B:CYS101 3.3 18.9 1.0
CG B:GLU98 3.4 21.9 1.0
CA B:CYS112 3.6 18.7 1.0
N B:GLY99 3.8 22.0 1.0
N B:CYS101 3.8 19.4 1.0
N B:GLU98 3.8 21.9 1.0
N B:ASP113 3.9 17.8 1.0
CA B:CYS101 4.1 17.6 1.0
N B:CYS104 4.1 15.9 1.0
OE1 B:GLU98 4.2 20.8 1.0
CA B:CYS104 4.2 16.2 1.0
C B:CYS112 4.2 20.4 1.0
CA B:GLY99 4.5 20.3 1.0
CA B:GLY97 4.5 21.6 1.0
CA B:GLU98 4.5 22.5 1.0
N B:ASN100 4.5 18.6 1.0
C B:GLY97 4.5 21.6 1.0
CB B:GLU98 4.5 22.2 1.0
C B:GLU98 4.6 22.3 1.0
O B:CYS101 4.6 14.0 1.0
C B:CYS101 4.6 17.2 1.0
C B:GLY99 4.6 18.7 1.0
N B:CYS112 4.9 19.9 1.0
N B:SER114 4.9 22.3 1.0
C B:ASN100 4.9 20.0 1.0

Zinc binding site 4 out of 12 in 3i4c

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Zinc binding site 4 out of 12 in the Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn500

b:36.0
occ:1.00
 NE2 B:HIS68 2.1 34.7 1.0
OE2 B:GLU69 2.1 31.7 1.0
SG B:CYS38 2.3 32.5 1.0
SG B:CYS154 2.4 28.2 1.0
CD2 B:HIS68 3.0 36.0 1.0
CE1 B:HIS68 3.0 37.2 1.0
CD B:GLU69 3.1 33.6 1.0
CB B:CYS38 3.2 35.0 1.0
CB B:CYS154 3.3 27.5 1.0
CG B:GLU69 3.5 31.6 1.0
ND1 B:HIS68 4.1 37.1 1.0
CG B:HIS68 4.1 36.2 1.0
OE1 B:GLU69 4.2 29.5 1.0
CA B:CYS38 4.4 36.9 1.0
N B:CYS38 4.4 36.5 1.0
CB B:SER40 4.7 47.6 1.0
OG B:SER40 4.7 48.0 1.0
CA B:CYS154 4.8 24.8 1.0
CB B:GLU69 5.0 32.1 1.0

Zinc binding site 5 out of 12 in 3i4c

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Zinc binding site 5 out of 12 in the Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn400

b:20.1
occ:1.00
 OE2 C:GLU98 2.1 17.3 1.0
SG C:CYS104 2.3 18.5 1.0
SG C:CYS101 2.3 16.1 1.0
SG C:CYS112 2.3 19.5 1.0
CB C:CYS112 3.1 21.5 1.0
CD C:GLU98 3.1 20.2 1.0
CB C:CYS101 3.4 15.6 1.0
CB C:CYS104 3.4 17.4 1.0
CA C:CYS112 3.4 20.6 1.0
CG C:GLU98 3.5 18.7 1.0
N C:ASP113 3.7 23.1 1.0
N C:GLU98 3.9 19.2 1.0
N C:CYS101 3.9 19.4 1.0
N C:GLY99 4.0 20.0 1.0
C C:CYS112 4.0 21.6 1.0
CA C:CYS101 4.1 17.5 1.0
N C:CYS104 4.1 16.4 1.0
OE1 C:GLU98 4.2 20.6 1.0
CA C:CYS104 4.3 17.3 1.0
CA C:GLY97 4.5 21.4 1.0
CA C:GLU98 4.6 20.2 1.0
O C:CYS101 4.6 16.4 1.0
CB C:GLU98 4.6 19.5 1.0
C C:GLY97 4.6 21.2 1.0
C C:CYS101 4.6 17.7 1.0
N C:SER114 4.7 23.9 1.0
N C:ASN100 4.7 18.8 1.0
C C:GLU98 4.7 20.1 1.0
N C:CYS112 4.7 20.0 1.0
CA C:GLY99 4.7 18.5 1.0
CA C:ASP113 4.8 23.0 1.0
C C:GLY99 4.9 19.4 1.0

Zinc binding site 6 out of 12 in 3i4c

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Zinc binding site 6 out of 12 in the Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y) within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn500

b:35.2
occ:1.00
 NE2 C:HIS68 2.1 35.8 1.0
OE2 C:GLU69 2.1 36.0 1.0
SG C:CYS38 2.3 39.5 1.0
SG C:CYS154 2.3 32.6 1.0
CE1 C:HIS68 3.1 36.4 1.0
CD C:GLU69 3.1 35.7 1.0
CD2 C:HIS68 3.1 35.7 1.0
CB C:CYS154 3.2 27.8 1.0
CB C:CYS38 3.3 38.9 1.0
CG C:GLU69 3.4 35.0 1.0
ND1 C:HIS68 4.2 36.3 1.0
OE1 C:GLU69 4.2 36.0 1.0
CG C:HIS68 4.2 36.2 1.0
CA C:CYS38 4.5 39.9 1.0
N C:CYS38 4.5 37.5 1.0
OG C:SER40 4.6 49.0 1.0
CA C:CYS154 4.6 24.9 1.0
CB C:SER40 4.8 48.8 1.0
CB C:GLU69 4.9 33.8 1.0

Zinc binding site 7 out of 12 in 3i4c

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Zinc binding site 7 out of 12 in the Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn400

b:19.8
occ:1.00
 OE2 D:GLU98 2.1 21.2 1.0
SG D:CYS101 2.3 19.4 1.0
SG D:CYS104 2.3 18.3 1.0
SG D:CYS112 2.3 18.1 1.0
CD D:GLU98 3.1 23.2 1.0
CB D:CYS112 3.1 19.1 1.0
CB D:CYS104 3.3 18.1 1.0
CB D:CYS101 3.4 18.4 1.0
CG D:GLU98 3.5 22.5 1.0
CA D:CYS112 3.6 17.8 1.0
N D:CYS101 3.8 19.9 1.0
N D:GLY99 3.8 21.9 1.0
N D:GLU98 3.9 20.2 1.0
N D:ASP113 3.9 17.5 1.0
CA D:CYS101 4.1 18.4 1.0
N D:CYS104 4.1 16.6 1.0
C D:CYS112 4.2 19.0 1.0
OE1 D:GLU98 4.2 21.1 1.0
CA D:CYS104 4.3 16.5 1.0
CA D:GLY97 4.5 19.2 1.0
CA D:GLU98 4.5 21.8 1.0
C D:GLY97 4.6 20.7 1.0
CA D:GLY99 4.6 20.1 1.0
N D:ASN100 4.6 21.3 1.0
CB D:GLU98 4.6 22.2 1.0
C D:CYS101 4.6 17.9 1.0
C D:GLU98 4.6 23.2 1.0
O D:CYS101 4.6 16.9 1.0
C D:GLY99 4.7 21.2 1.0
N D:SER114 4.8 20.0 1.0
N D:CYS112 4.8 15.9 1.0
C D:ASN100 4.9 20.9 1.0

Zinc binding site 8 out of 12 in 3i4c

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Zinc binding site 8 out of 12 in the Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn500

b:24.8
occ:1.00
 NE2 D:HIS68 2.1 25.3 1.0
OE2 D:GLU69 2.1 22.0 1.0
SG D:CYS38 2.3 24.6 1.0
SG D:CYS154 2.4 19.2 1.0
CE1 D:HIS68 3.0 25.7 1.0
CD2 D:HIS68 3.1 24.9 1.0
CD D:GLU69 3.1 22.9 1.0
CB D:CYS38 3.2 25.9 1.0
CB D:CYS154 3.2 17.5 1.0
CG D:GLU69 3.5 20.2 1.0
ND1 D:HIS68 4.2 25.4 1.0
CG D:HIS68 4.2 26.1 1.0
OE1 D:GLU69 4.2 19.1 1.0
NH1 D:ARG342 4.3 33.1 1.0
CA D:CYS38 4.4 27.5 1.0
N D:CYS38 4.5 24.9 1.0
CB D:SER40 4.7 36.2 1.0
CA D:CYS154 4.7 16.8 1.0
OG D:SER40 4.9 36.5 1.0
O D:HOH403 4.9 26.8 1.0
O D:HOH419 5.0 21.6 1.0
CB D:GLU69 5.0 22.8 1.0

Zinc binding site 9 out of 12 in 3i4c

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Zinc binding site 9 out of 12 in the Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn400

b:23.1
occ:1.00
 OE2 E:GLU98 2.1 24.2 1.0
SG E:CYS112 2.3 21.8 1.0
SG E:CYS104 2.3 21.4 1.0
SG E:CYS101 2.3 21.6 1.0
CD E:GLU98 3.1 22.6 1.0
CB E:CYS112 3.2 21.0 1.0
CB E:CYS104 3.3 22.3 1.0
CB E:CYS101 3.3 19.8 1.0
CG E:GLU98 3.4 21.6 1.0
CA E:CYS112 3.6 20.6 1.0
N E:GLY99 3.8 23.2 1.0
N E:GLU98 3.8 23.6 1.0
N E:CYS101 3.8 18.0 1.0
N E:ASP113 3.9 22.0 1.0
CA E:CYS101 4.1 19.0 1.0
N E:CYS104 4.1 20.9 1.0
OE1 E:GLU98 4.2 23.0 1.0
C E:CYS112 4.3 22.0 1.0
CA E:CYS104 4.3 20.9 1.0
CA E:GLU98 4.5 23.0 1.0
CB E:GLU98 4.5 23.1 1.0
CA E:GLY99 4.5 20.6 1.0
C E:GLY97 4.5 23.9 1.0
N E:ASN100 4.5 19.6 1.0
CA E:GLY97 4.5 25.6 1.0
C E:GLU98 4.6 22.9 1.0
O E:CYS101 4.6 21.0 1.0
C E:CYS101 4.6 20.0 1.0
C E:GLY99 4.7 21.8 1.0
N E:CYS112 4.9 19.6 1.0
N E:SER114 4.9 24.3 1.0
C E:ASN100 5.0 19.5 1.0

Zinc binding site 10 out of 12 in 3i4c

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Zinc binding site 10 out of 12 in the Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of Sulfolobus Solfataricus Adh(Ssadh) Double Mutant (W95L,N249Y) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn500

b:33.2
occ:1.00
 NE2 E:HIS68 2.1 29.9 1.0
OE2 E:GLU69 2.1 29.8 1.0
SG E:CYS38 2.3 31.8 1.0
SG E:CYS154 2.3 26.8 1.0
CE1 E:HIS68 3.1 29.8 1.0
CD2 E:HIS68 3.1 30.1 1.0
CD E:GLU69 3.1 30.3 1.0
CB E:CYS154 3.2 23.6 1.0
CB E:CYS38 3.3 34.0 1.0
CG E:GLU69 3.5 28.8 1.0
ND1 E:HIS68 4.2 27.7 1.0
CG E:HIS68 4.2 28.1 1.0
OE1 E:GLU69 4.3 29.5 1.0
CA E:CYS38 4.5 35.3 1.0
N E:CYS38 4.5 32.7 1.0
NH1 E:ARG342 4.6 41.5 1.0
CA E:CYS154 4.7 22.9 1.0
CB E:SER40 4.8 44.4 1.0
O E:HOH357 4.9 29.1 1.0
O E:HOH376 4.9 40.2 1.0
OG E:SER40 5.0 42.5 1.0
CB E:GLU69 5.0 29.3 1.0

Reference:

A.Pennacchio, L.Esposito, A.Zagari, M.Rossi, C.A.Raia. Role of Tryptophan 95 in Substrate Specificity and Structural Stability of Sulfolobus Solfataricus Alcohol Dehydrogenase Extremophiles V. 13 751 2009.
ISSN: ISSN 1431-0651
PubMed: 19588068
DOI: 10.1007/S00792-009-0256-0
Page generated: Sat Oct 26 06:48:44 2024

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