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Arsenic in PDB 1d1t: Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141

Enzymatic activity of Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141

All present enzymatic activity of Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141:
1.1.1.1;

Protein crystallography data

The structure of Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141, PDB code: 1d1t 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 / 2.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 85.900, 90.500, 119.800, 90.00, 99.30, 90.00
R / Rfree (%) 21.6 / 27.4

Other elements in 1d1t:

The structure of Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141 also contains other interesting chemical elements:

Zinc (Zn) 19 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141 (pdb code 1d1t). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 5 binding sites of Arsenic where determined in the Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141, PDB code: 1d1t:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5;

Arsenic binding site 1 out of 5 in 1d1t

Go back to Arsenic Binding Sites List in 1d1t
Arsenic binding site 1 out of 5 in the Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As994

b:73.7
occ:1.00
AS A:CAC994 0.0 73.7 1.0
O1 A:CAC994 1.6 69.3 1.0
O2 A:CAC994 1.6 70.9 1.0
C2 A:CAC994 1.9 71.2 1.0
C1 A:CAC994 1.9 71.4 1.0
O A:HOH889 3.4 34.5 1.0
O A:MET233 3.9 30.4 1.0
O A:ALA237 4.1 25.6 1.0
O A:GLY236 4.9 32.6 1.0
C A:GLY236 5.0 30.8 1.0

Arsenic binding site 2 out of 5 in 1d1t

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Arsenic binding site 2 out of 5 in the Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As991

b:35.6
occ:1.00
AS B:CAC991 0.0 35.6 1.0
O1 B:CAC991 1.6 17.2 1.0
O2 B:CAC991 1.7 35.0 1.0
C2 B:CAC991 1.9 32.2 1.0
C1 B:CAC991 2.0 38.4 1.0
ZN B:ZN406 3.3 42.6 1.0
O B:PHE61 3.6 30.6 1.0
O1 B:CAC992 3.9 52.1 1.0
C1 B:CAC993 4.0 47.7 1.0
O1 B:CAC993 4.3 55.0 1.0
O B:HOH903 4.5 23.0 1.0
O B:HOH725 4.5 11.9 1.0
C B:PHE61 4.5 30.5 1.0
AS B:CAC993 4.5 49.7 1.0
O2 B:CAC992 4.6 55.3 1.0
O2 B:CAC993 4.6 51.4 1.0
OE1 B:GLU16 4.8 40.9 1.0
O B:HOH649 4.8 31.6 1.0
AS B:CAC992 5.0 57.7 1.0

Arsenic binding site 3 out of 5 in 1d1t

Go back to Arsenic Binding Sites List in 1d1t
Arsenic binding site 3 out of 5 in the Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As992

b:57.7
occ:1.00
AS B:CAC992 0.0 57.7 1.0
O1 B:CAC992 1.6 52.1 1.0
O2 B:CAC992 1.6 55.3 1.0
C2 B:CAC992 1.9 53.1 1.0
C1 B:CAC992 1.9 49.5 1.0
O2 B:CAC993 2.9 51.4 1.0
ZN B:ZN406 3.4 42.6 1.0
OE2 B:GLU16 4.0 40.9 1.0
O2 B:CAC991 4.1 35.0 1.0
O1 B:CAC991 4.4 17.2 1.0
AS B:CAC993 4.4 49.7 1.0
O B:HOH656 4.8 22.4 1.0
AS B:CAC991 5.0 35.6 1.0

Arsenic binding site 4 out of 5 in 1d1t

Go back to Arsenic Binding Sites List in 1d1t
Arsenic binding site 4 out of 5 in the Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As993

b:49.7
occ:1.00
AS B:CAC993 0.0 49.7 1.0
O2 B:CAC993 1.6 51.4 1.0
O1 B:CAC993 1.6 55.0 1.0
C2 B:CAC993 1.9 51.6 1.0
C1 B:CAC993 1.9 47.7 1.0
ZN B:ZN406 3.4 42.6 1.0
O1 B:CAC991 3.6 17.2 1.0
O2 B:CAC992 3.9 55.3 1.0
O B:HOH656 4.1 22.4 1.0
OE2 B:GLU16 4.2 40.9 1.0
O1 B:CAC992 4.2 52.1 1.0
OE1 B:GLU16 4.4 40.9 1.0
AS B:CAC992 4.4 57.7 1.0
O B:HOH903 4.4 23.0 1.0
AS B:CAC991 4.5 35.6 1.0
C1 B:CAC992 4.5 49.5 1.0
C2 B:CAC991 4.6 32.2 1.0
O2 B:CAC991 4.6 35.0 1.0
CD B:GLU16 4.7 39.5 1.0
O B:HOH657 4.7 25.0 1.0

Arsenic binding site 5 out of 5 in 1d1t

Go back to Arsenic Binding Sites List in 1d1t
Arsenic binding site 5 out of 5 in the Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Mutant of Human Sigma Alcohol Dehydrogenase with Leucine at Position 141 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As995

b:76.9
occ:1.00
AS B:CAC995 0.0 76.9 1.0
O1 B:CAC995 1.6 74.2 1.0
O2 B:CAC995 1.6 74.8 1.0
C2 B:CAC995 1.9 77.6 1.0
C1 B:CAC995 1.9 74.9 1.0
ND2 A:ASN260 3.7 31.2 1.0
ND2 B:ASN101 3.7 20.9 1.0
O B:HOH613 3.8 18.7 1.0
CG2 B:ILE112 3.8 32.0 1.0
CG B:ASN101 4.0 19.9 1.0
N B:ASN101 4.1 23.0 1.0
CB B:ASN101 4.3 21.9 1.0
CB B:CYS100 4.4 20.1 1.0
OD1 B:ASN101 4.4 24.8 1.0
CB A:ASN260 4.4 28.8 1.0
CG A:ASN260 4.6 30.2 1.0
O A:HOH622 4.6 36.9 1.0
O A:GLY259 4.8 34.1 1.0
CA B:CYS100 4.8 24.2 1.0
CA B:ASN101 4.8 20.9 1.0
O A:ASN260 4.9 27.1 1.0
C B:CYS100 5.0 25.6 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: Tue Oct 27 16:46:12 2020

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