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Arsenic in PDB 1d1s: Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase

Enzymatic activity of Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase

All present enzymatic activity of Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase:
1.1.1.1;

Protein crystallography data

The structure of Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase, PDB code: 1d1s was solved by P.T.Xie, T.D.Hurley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 86.400, 90.900, 121.100, 90.00, 99.60, 90.00
R / Rfree (%) 21.7 / 26.8

Other elements in 1d1s:

The structure of Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase also contains other interesting chemical elements:

Zinc (Zn) 19 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase (pdb code 1d1s). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 5 binding sites of Arsenic where determined in the Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase, PDB code: 1d1s:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5;

Arsenic binding site 1 out of 5 in 1d1s

Go back to Arsenic Binding Sites List in 1d1s
Arsenic binding site 1 out of 5 in the Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As554

b:81.6
occ:1.00
 AS A:CAC554 0.0 81.6 1.0
O1 A:CAC554 1.6 76.8 1.0
O2 A:CAC554 1.6 78.4 1.0
C2 A:CAC554 1.9 77.8 1.0
C1 A:CAC554 1.9 77.9 1.0
O A:HOH889 3.4 31.8 1.0
O A:MET233 4.0 24.1 1.0
O A:ALA237 4.4 25.0 1.0

Arsenic binding site 2 out of 5 in 1d1s

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Arsenic binding site 2 out of 5 in the Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As551

b:38.4
occ:1.00
 AS B:CAC551 0.0 38.4 1.0
O1 B:CAC551 1.6 16.6 1.0
O2 B:CAC551 1.6 35.9 1.0
C2 B:CAC551 1.9 31.9 1.0
C1 B:CAC551 1.9 34.3 1.0
ZN B:ZN406 3.3 43.3 1.0
O B:PHE61 3.8 31.4 1.0
O1 B:CAC553 4.1 55.5 1.0
O1 B:CAC552 4.2 50.8 1.0
O2 B:CAC553 4.2 49.7 1.0
O2 B:CAC552 4.3 52.2 1.0
C B:PHE61 4.6 30.3 1.0
AS B:CAC553 4.6 45.6 1.0
O B:HOH725 4.7 10.4 1.0
O B:HOH903 4.7 21.9 1.0
OE1 B:GLU16 4.8 40.0 1.0
C1 B:CAC553 4.8 50.2 1.0
AS B:CAC552 5.0 49.9 1.0
O B:HOH649 5.0 29.4 1.0

Arsenic binding site 3 out of 5 in 1d1s

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Arsenic binding site 3 out of 5 in the Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As552

b:49.9
occ:1.00
 AS B:CAC552 0.0 49.9 1.0
O1 B:CAC552 1.6 50.8 1.0
O2 B:CAC552 1.6 52.2 1.0
C2 B:CAC552 1.9 52.2 1.0
C1 B:CAC552 1.9 47.9 1.0
ZN B:ZN406 3.3 43.3 1.0
O1 B:CAC553 3.8 55.5 1.0
O2 B:CAC553 3.9 49.7 1.0
O2 B:CAC551 4.0 35.9 1.0
OE2 B:GLU16 4.2 36.9 1.0
O1 B:CAC551 4.4 16.6 1.0
AS B:CAC553 4.5 45.6 1.0
O B:HOH656 5.0 20.5 1.0
AS B:CAC551 5.0 38.4 1.0

Arsenic binding site 4 out of 5 in 1d1s

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Arsenic binding site 4 out of 5 in the Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As553

b:45.6
occ:1.00
 AS B:CAC553 0.0 45.6 1.0
O2 B:CAC553 1.6 49.7 1.0
O1 B:CAC553 1.6 55.5 1.0
C2 B:CAC553 1.9 46.9 1.0
C1 B:CAC553 1.9 50.2 1.0
ZN B:ZN406 3.5 43.3 1.0
O1 B:CAC552 3.9 50.8 1.0
O2 B:CAC552 4.0 52.2 1.0
O1 B:CAC551 4.0 16.6 1.0
OE2 B:GLU16 4.2 36.9 1.0
O B:HOH656 4.2 20.5 1.0
O2 B:CAC551 4.5 35.9 1.0
C2 B:CAC551 4.5 31.9 1.0
AS B:CAC552 4.5 49.9 1.0
OE1 B:GLU16 4.5 40.0 1.0
O B:HOH903 4.5 21.9 1.0
AS B:CAC551 4.6 38.4 1.0
CD B:GLU16 4.8 38.3 1.0
C1 B:CAC552 4.9 47.9 1.0

Arsenic binding site 5 out of 5 in 1d1s

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Arsenic binding site 5 out of 5 in the Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As555

b:79.5
occ:1.00
 AS B:CAC555 0.0 79.5 1.0
O1 B:CAC555 1.6 76.7 1.0
O2 B:CAC555 1.6 78.3 1.0
C2 B:CAC555 1.9 80.8 1.0
C1 B:CAC555 1.9 80.7 1.0
ND2 B:ASN101 3.7 11.2 1.0
O B:HOH613 3.8 27.0 1.0
ND2 A:ASN260 3.8 25.0 1.0
CG B:ASN101 4.0 15.4 1.0
CG2 B:ILE112 4.0 25.2 1.0
N B:ASN101 4.2 19.6 1.0
CB B:ASN101 4.4 17.5 1.0
CB B:CYS100 4.4 16.8 1.0
O B:HOH622 4.4 29.6 1.0
CB A:ASN260 4.5 27.9 1.0
OD1 B:ASN101 4.5 19.8 1.0
CG A:ASN260 4.7 31.4 1.0
O A:GLY259 4.8 25.0 1.0
CA B:CYS100 4.9 19.0 1.0
CA B:ASN101 4.9 17.6 1.0
O A:ASN260 5.0 25.5 1.0

Reference:

P.T.Xie, T.D.Hurley. Methionine-141 Directly Influences the Binding of 4-Methylpyrazole in Human Sigma Sigma Alcohol Dehydrogenase. Protein Sci. V. 8 2639 1999.
ISSN: ISSN 0961-8368
PubMed: 10631979
Page generated: Wed Jul 10 10:59:26 2024

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