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Zinc in PDB 1s7g: Structural Basis For the Mechanism and Regulation of SIR2 Enzymes

Protein crystallography data

The structure of Structural Basis For the Mechanism and Regulation of SIR2 Enzymes, PDB code: 1s7g was solved by J.L.Avalos, J.D.Boeke, C.Wolberger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.78 / 2.30
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 104.850, 181.574, 78.921, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 24.9

Zinc Binding Sites:

The binding sites of Zinc atom in the Structural Basis For the Mechanism and Regulation of SIR2 Enzymes (pdb code 1s7g). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 9 binding sites of Zinc where determined in the Structural Basis For the Mechanism and Regulation of SIR2 Enzymes, PDB code: 1s7g:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Zinc binding site 1 out of 9 in 1s7g

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Zinc binding site 1 out of 9 in the Structural Basis For the Mechanism and Regulation of SIR2 Enzymes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structural Basis For the Mechanism and Regulation of SIR2 Enzymes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn601

b:32.7
occ:1.00
SG A:CYS129 2.4 28.7 1.0
SG A:CYS126 2.4 27.9 1.0
SG A:CYS153 2.4 34.4 1.0
SG A:CYS150 2.4 32.9 1.0
CB A:CYS129 3.2 29.8 1.0
CB A:CYS126 3.2 26.0 1.0
CB A:CYS150 3.3 32.4 1.0
CB A:CYS153 3.3 34.0 1.0
N A:CYS129 3.6 31.2 1.0
CA A:CYS129 3.9 30.1 1.0
N A:CYS153 3.9 36.0 1.0
CA A:CYS153 4.2 35.1 1.0
CB A:SER155 4.4 30.5 1.0
C A:CYS129 4.6 30.5 1.0
CA A:CYS126 4.7 28.1 1.0
CB A:GLU131 4.7 36.4 1.0
N A:HIS130 4.7 30.5 1.0
C A:ASP128 4.7 32.4 1.0
CA A:CYS150 4.7 34.4 1.0
C A:CYS153 4.8 35.6 1.0
CB A:ASP128 4.8 35.0 1.0
N A:SER155 4.9 33.0 1.0
N A:GLU131 4.9 32.9 1.0
N A:GLY154 4.9 34.6 1.0
C A:LYS152 4.9 38.0 1.0

Zinc binding site 2 out of 9 in 1s7g

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Zinc binding site 2 out of 9 in the Structural Basis For the Mechanism and Regulation of SIR2 Enzymes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structural Basis For the Mechanism and Regulation of SIR2 Enzymes within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn602

b:32.4
occ:1.00
NE2 A:HIS17 2.1 35.7 1.0
NE2 C:HIS130 2.1 27.5 1.0
NE2 A:HIS183 2.2 30.0 1.0
OE1 A:GLU180 2.4 38.5 1.0
OE2 A:GLU180 2.4 34.6 1.0
CD A:GLU180 2.7 35.5 1.0
CE1 A:HIS17 3.0 38.3 1.0
CE1 C:HIS130 3.1 27.9 1.0
CD2 C:HIS130 3.1 25.5 1.0
CE1 A:HIS183 3.1 33.1 1.0
CD2 A:HIS17 3.2 38.2 1.0
CD2 A:HIS183 3.2 29.5 1.0
ND1 A:HIS17 4.2 36.4 1.0
ND1 C:HIS130 4.2 27.1 1.0
CG A:GLU180 4.2 31.4 1.0
CG C:HIS130 4.2 28.7 1.0
CG A:HIS17 4.3 36.3 1.0
ND1 A:HIS183 4.3 31.9 1.0
CG A:HIS183 4.4 31.6 1.0
CB A:LYS95 4.7 27.5 1.0
CA A:GLU180 4.7 24.1 1.0
O A:HOH711 4.7 34.4 1.0
O C:ASP128 4.8 34.1 1.0
CB A:GLU180 4.8 25.9 1.0

Zinc binding site 3 out of 9 in 1s7g

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Zinc binding site 3 out of 9 in the Structural Basis For the Mechanism and Regulation of SIR2 Enzymes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structural Basis For the Mechanism and Regulation of SIR2 Enzymes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn603

b:32.4
occ:1.00
SG B:CYS129 2.3 34.3 1.0
SG B:CYS150 2.4 31.3 1.0
SG B:CYS126 2.4 33.5 1.0
SG B:CYS153 2.4 39.3 1.0
CB B:CYS150 3.1 32.7 1.0
CB B:CYS126 3.2 27.4 1.0
CB B:CYS129 3.2 31.8 1.0
CB B:CYS153 3.4 39.8 1.0
N B:CYS129 3.7 34.9 1.0
N B:CYS153 3.8 41.5 1.0
CA B:CYS129 4.0 33.3 1.0
CA B:CYS153 4.1 40.8 1.0
CA B:CYS150 4.6 34.8 1.0
C B:CYS129 4.6 32.0 1.0
CA B:CYS126 4.6 25.4 1.0
CB B:SER155 4.7 37.2 1.0
CB B:ASP128 4.7 40.0 1.0
CB B:GLU131 4.7 31.4 1.0
N B:HIS130 4.7 30.6 1.0
CB B:LYS152 4.7 42.1 1.0
C B:LYS152 4.8 41.7 1.0
C B:CYS153 4.8 40.1 1.0
C B:ASP128 4.8 35.3 1.0
N B:GLU131 4.9 29.8 1.0
N B:GLY154 4.9 40.0 1.0
N B:SER155 4.9 36.5 1.0

Zinc binding site 4 out of 9 in 1s7g

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Zinc binding site 4 out of 9 in the Structural Basis For the Mechanism and Regulation of SIR2 Enzymes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structural Basis For the Mechanism and Regulation of SIR2 Enzymes within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn604

b:28.9
occ:1.00
OE1 B:GLU180 2.1 27.4 1.0
NE2 B:HIS183 2.1 29.7 1.0
NE2 B:HIS17 2.2 28.0 1.0
CD B:GLU180 2.9 29.9 1.0
CE1 B:HIS183 2.9 32.2 1.0
OE2 B:GLU180 3.1 31.5 1.0
CD2 B:HIS17 3.1 29.6 1.0
CD2 B:HIS183 3.2 29.1 1.0
CE1 B:HIS17 3.3 27.7 1.0
ND1 B:HIS183 4.1 31.7 1.0
CG B:HIS183 4.2 30.8 1.0
CG B:HIS17 4.3 29.3 1.0
CG B:GLU180 4.3 27.4 1.0
ND1 B:HIS17 4.4 29.0 1.0
CA B:GLU180 4.7 29.1 1.0
O B:GLU180 4.8 30.1 1.0
CB B:LYS95 5.0 25.5 1.0
NE B:ARG113 5.0 32.0 1.0
CB B:GLU180 5.0 29.9 1.0

Zinc binding site 5 out of 9 in 1s7g

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Zinc binding site 5 out of 9 in the Structural Basis For the Mechanism and Regulation of SIR2 Enzymes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Structural Basis For the Mechanism and Regulation of SIR2 Enzymes within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn605

b:32.2
occ:1.00
SG C:CYS126 2.4 28.9 1.0
SG C:CYS153 2.4 35.6 1.0
SG C:CYS150 2.4 32.2 1.0
SG C:CYS129 2.4 30.7 1.0
CB C:CYS126 3.2 25.4 1.0
CB C:CYS150 3.2 32.7 1.0
CB C:CYS129 3.2 29.6 1.0
CB C:CYS153 3.5 38.5 1.0
N C:CYS129 3.7 31.4 1.0
N C:CYS153 3.9 41.6 1.0
CA C:CYS129 4.0 30.6 1.0
CA C:CYS153 4.2 39.9 1.0
CB C:SER155 4.4 33.8 1.0
C C:CYS129 4.6 28.9 1.0
CA C:CYS126 4.6 27.2 1.0
CA C:CYS150 4.6 34.9 1.0
CB C:GLU131 4.7 32.9 1.0
CB C:LYS152 4.7 44.0 1.0
N C:HIS130 4.7 30.4 1.0
N C:GLU131 4.8 29.8 1.0
CB C:ASP128 4.8 37.8 1.0
C C:ASP128 4.8 32.9 1.0
C C:LYS152 4.8 42.7 1.0
C C:CYS153 4.9 38.8 1.0
N C:SER155 4.9 34.5 1.0
N C:GLY154 5.0 38.2 1.0

Zinc binding site 6 out of 9 in 1s7g

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Zinc binding site 6 out of 9 in the Structural Basis For the Mechanism and Regulation of SIR2 Enzymes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Structural Basis For the Mechanism and Regulation of SIR2 Enzymes within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn606

b:33.2
occ:1.00
NE2 A:HIS130 2.1 29.7 1.0
NE2 C:HIS17 2.2 38.8 1.0
NE2 C:HIS183 2.2 43.2 1.0
OE2 C:GLU180 2.4 47.9 1.0
OE1 C:GLU180 2.6 49.4 1.0
CD C:GLU180 2.8 47.2 1.0
CE1 A:HIS130 2.9 28.1 1.0
CD2 C:HIS17 3.1 39.5 1.0
CE1 C:HIS183 3.1 41.7 1.0
CD2 A:HIS130 3.2 27.5 1.0
CD2 C:HIS183 3.3 41.9 1.0
CE1 C:HIS17 3.3 40.9 1.0
ND1 A:HIS130 4.1 28.2 1.0
CG C:GLU180 4.2 41.5 1.0
ND1 C:HIS183 4.3 42.2 1.0
CG A:HIS130 4.3 28.0 1.0
CG C:HIS17 4.3 38.7 1.0
CG C:HIS183 4.4 41.7 1.0
ND1 C:HIS17 4.4 39.5 1.0
CA C:GLU180 4.6 33.1 1.0
O A:ASP128 4.6 35.6 1.0
CB C:GLU180 4.8 37.2 1.0
CB C:ALA96 4.9 33.1 1.0

Zinc binding site 7 out of 9 in 1s7g

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Zinc binding site 7 out of 9 in the Structural Basis For the Mechanism and Regulation of SIR2 Enzymes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Structural Basis For the Mechanism and Regulation of SIR2 Enzymes within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn607

b:27.3
occ:1.00
SG D:CYS126 2.3 24.6 1.0
SG D:CYS129 2.3 24.7 1.0
SG D:CYS150 2.4 26.5 1.0
SG D:CYS153 2.4 26.5 1.0
CB D:CYS126 3.2 19.9 1.0
CB D:CYS150 3.2 25.6 1.0
CB D:CYS129 3.3 22.4 1.0
CB D:CYS153 3.3 28.6 1.0
N D:CYS129 3.7 24.8 1.0
N D:CYS153 3.8 32.2 1.0
CA D:CYS129 4.0 24.6 1.0
CA D:CYS153 4.1 29.7 1.0
CB D:SER155 4.4 23.0 1.0
C D:CYS129 4.6 23.4 1.0
CA D:CYS126 4.6 20.5 1.0
CA D:CYS150 4.7 25.9 1.0
C D:CYS153 4.7 28.6 1.0
N D:HIS130 4.7 23.1 1.0
CB D:LYS152 4.8 32.2 1.0
C D:ASP128 4.8 25.5 1.0
CB D:GLU131 4.8 28.7 1.0
C D:LYS152 4.8 33.3 1.0
N D:GLY154 4.8 29.0 1.0
N D:SER155 4.8 23.7 1.0
CB D:ASP128 4.8 28.9 1.0
N D:GLU131 4.9 25.9 1.0

Zinc binding site 8 out of 9 in 1s7g

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Zinc binding site 8 out of 9 in the Structural Basis For the Mechanism and Regulation of SIR2 Enzymes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Structural Basis For the Mechanism and Regulation of SIR2 Enzymes within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn608

b:31.9
occ:1.00
NE2 D:HIS183 2.1 41.7 1.0
NE2 D:HIS17 2.2 35.2 1.0
OE2 D:GLU180 2.2 37.5 1.0
CD D:GLU180 2.9 40.1 1.0
CE1 D:HIS183 3.0 42.9 1.0
OE1 D:GLU180 3.1 39.9 1.0
CE1 D:HIS17 3.1 36.1 1.0
CD2 D:HIS183 3.2 39.1 1.0
CD2 D:HIS17 3.2 34.1 1.0
ND1 D:HIS183 4.1 43.4 1.0
ND1 D:HIS17 4.2 35.7 1.0
CG D:GLU180 4.3 35.4 1.0
CG D:HIS183 4.3 39.0 1.0
CG D:HIS17 4.3 36.3 1.0
CA D:GLU180 4.4 29.3 1.0
CB D:GLU180 4.7 32.0 1.0
CB D:LYS95 4.8 31.7 1.0
O D:HOH623 4.9 36.6 1.0

Zinc binding site 9 out of 9 in 1s7g

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Zinc binding site 9 out of 9 in the Structural Basis For the Mechanism and Regulation of SIR2 Enzymes


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Structural Basis For the Mechanism and Regulation of SIR2 Enzymes within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Zn609

b:31.9
occ:1.00
SG E:CYS129 2.2 34.3 1.0
SG E:CYS126 2.4 34.0 1.0
SG E:CYS153 2.4 31.3 1.0
SG E:CYS150 2.4 33.0 1.0
CB E:CYS150 3.1 33.0 1.0
CB E:CYS153 3.2 31.1 1.0
CB E:CYS129 3.2 35.8 1.0
CB E:CYS126 3.2 29.6 1.0
N E:CYS129 3.6 34.6 1.0
N E:CYS153 3.7 32.3 1.0
CA E:CYS129 4.0 35.6 1.0
CA E:CYS153 4.0 30.6 1.0
CB E:SER155 4.3 34.8 1.0
CB E:ASP128 4.5 38.0 1.0
CA E:CYS150 4.6 36.0 1.0
C E:CYS153 4.6 30.1 1.0
C E:ASP128 4.7 34.9 1.0
CA E:CYS126 4.7 32.2 1.0
C E:CYS129 4.7 36.6 1.0
CB E:LYS152 4.7 36.8 1.0
N E:SER155 4.7 34.0 1.0
C E:LYS152 4.8 34.0 1.0
CB E:GLU131 4.8 43.6 1.0
N E:GLY154 4.8 31.8 1.0
N E:HIS130 4.9 38.4 1.0
CA E:ASP128 5.0 35.7 1.0

Reference:

J.L.Avalos, J.D.Boeke, C.Wolberger. Structural Basis For the Mechanism and Regulation of SIR2 Enzymes Mol.Cell V. 13 639 2004.
ISSN: ISSN 1097-2765
PubMed: 15023335
DOI: 10.1016/S1097-2765(04)00082-6
Page generated: Wed Oct 16 18:46:38 2024

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