Chemical elements
  Arsenic
      Occurrence
      Ubiquity
      History
    Isotopes
    Energy
    Production
    Application
    Physical Properties
    Chemical Properties
    Detection of Arsenic
    Estimation of Arsenic
    Physiological Properties
    PDB 1b92-1ihu
      1b92
      1b9d
      1b9f
      1beh
      1bhl
      1biz
      1c82
      1d0c
      1d0o
      1d1s
      1d1t
      1d1v
      1d1w
      1d1x
      1d1y
      1d61
      1dan
      1dm6
      1dm7
      1dm8
      1dmi
      1dmj
      1dmk
      1dva
      1ed4
      1ed5
      1ed6
      1eqz
      1f0j
      1f35
      1fe8
      1ff3
      1foi
      1foj
      1fol
      1foo
      1fop
      1fu1
      1fyw
      1fyx
      1glj
      1gq8
      1gr0
      1hyv
      1hyz
      1i19
      1i83
      1i9s
      1i9t
      1ihu
    PDB 1ii0-1tnd
    PDB 1tql-2hmh
    PDB 2hx2-2xnq
    PDB 2xod-3htw
    PDB 3hzf-3od5
    PDB 3ouu-9nse

Arsenic in the structure of Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase (pdb 1d1s)






The binding sites of Arsenic atom in the structure of Wild-Type Human Sigma (Class IV) Alcohol Dehydrogenase (pdb code 1d1s). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom.
The 1d1s structure was solved by P.T.XIE, T.D.HURLEY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)50.0-2.5
Space groupP1211
a (A)86.400
b (A)90.900
c (A)121.100
alpha (°)90.00
beta (°)99.60
gamma (°)90.00
Rfactor (%)21.7
Rfree (%)26.8


Arsenic Binding Sites:

Arsenic binding site 1 out of 5 in 1d1s


Arsenic binding site 1 out of 5 in 1d1s
Click to enlarge
stereopicture of Arsenic binding site 1 out of 5 in 1d1s
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 1d1s. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Met233, A: Ala237, A: Cac554, A: Hoh889,

conact list:


AtomAtomDistance (A)
AsO A:Met2333.95
AsO A:Ala2374.35
AsO1 A:Cac5541.63
AsO2 A:Cac5541.64
AsAS A:Cac5540.00
AsC2 A:Cac5541.89
AsC1 A:Cac5541.95
AsO A:Hoh8893.41

interactive model:


Arsenic binding site 2 out of 5 in 1d1s


Arsenic binding site 2 out of 5 in 1d1s
Click to enlarge
stereopicture of Arsenic binding site 2 out of 5 in 1d1s
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 1d1s. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Glu16, B: Phe61, B: Zn406, B: Cac551, B: Cac552, B: Cac553, B: Hoh649, B: Hoh725, B: Hoh903,

conact list:


AtomAtomDistance (A)
AsOE1 B:Glu164.78
AsO B:Phe613.83
AsC B:Phe614.60
AsZN B:Zn4063.27
AsO1 B:Cac5511.63
AsO2 B:Cac5511.64
AsAS B:Cac5510.00
AsC2 B:Cac5511.88
AsC1 B:Cac5511.92
AsO1 B:Cac5524.24
AsO2 B:Cac5524.31
AsAS B:Cac5524.95
AsO1 B:Cac5534.12
AsO2 B:Cac5534.24
AsAS B:Cac5534.62
AsC1 B:Cac5534.80
AsO B:Hoh6494.95
AsO B:Hoh7254.72
AsO B:Hoh9034.75

interactive model:


Arsenic binding site 3 out of 5 in 1d1s


Arsenic binding site 3 out of 5 in 1d1s
Click to enlarge
stereopicture of Arsenic binding site 3 out of 5 in 1d1s
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Arsenic in the PDB 1d1s. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Glu16, B: Zn406, B: Cac551, B: Cac552, B: Cac553, B: Hoh656,

conact list:


AtomAtomDistance (A)
AsOE2 B:Glu164.24
AsZN B:Zn4063.31
AsO1 B:Cac5514.44
AsO2 B:Cac5513.95
AsAS B:Cac5514.95
AsO1 B:Cac5521.62
AsO2 B:Cac5521.62
AsAS B:Cac5520.00
AsC2 B:Cac5521.88
AsC1 B:Cac5521.93
AsO1 B:Cac5533.80
AsO2 B:Cac5533.88
AsAS B:Cac5534.48
AsO B:Hoh6564.95

interactive model:


Arsenic binding site 4 out of 5 in 1d1s


Arsenic binding site 4 out of 5 in 1d1s
Click to enlarge
stereopicture of Arsenic binding site 4 out of 5 in 1d1s
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Arsenic in the PDB 1d1s. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Glu16, B: Zn406, B: Cac551, B: Cac552, B: Cac553, B: Hoh656, B: Hoh903,

conact list:


AtomAtomDistance (A)
AsOE1 B:Glu164.51
AsOE2 B:Glu164.18
AsCD B:Glu164.78
AsZN B:Zn4063.52
AsO1 B:Cac5513.99
AsO2 B:Cac5514.46
AsAS B:Cac5514.62
AsC2 B:Cac5514.47
AsO1 B:Cac5523.92
AsO2 B:Cac5523.99
AsAS B:Cac5524.48
AsC1 B:Cac5524.87
AsO1 B:Cac5531.62
AsO2 B:Cac5531.62
AsAS B:Cac5530.00
AsC2 B:Cac5531.88
AsC1 B:Cac5531.92
AsO B:Hoh6564.20
AsO B:Hoh9034.54

interactive model:


Arsenic binding site 5 out of 5 in 1d1s


Arsenic binding site 5 out of 5 in 1d1s
Click to enlarge
stereopicture of Arsenic binding site 5 out of 5 in 1d1s
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Arsenic in the PDB 1d1s. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Gly259, A: Asn260, B: Cys100, B: Asn101, B: Ile112, B: Cac555, B: Hoh613, B: Hoh622,

conact list:


AtomAtomDistance (A)
AsO A:Gly2594.80
AsO A:Asn2604.98
AsCB A:Asn2604.50
AsND2 A:Asn2603.83
AsCG A:Asn2604.67
AsCB B:Cys1004.41
AsCA B:Cys1004.90
AsN B:Asn1014.22
AsCB B:Asn1014.35
AsND2 B:Asn1013.70
AsOD1 B:Asn1014.51
AsCG B:Asn1013.99
AsCA B:Asn1014.93
AsCG2 B:Ile1124.01
AsO1 B:Cac5551.62
AsO2 B:Cac5551.63
AsAS B:Cac5550.00
AsC2 B:Cac5551.88
AsC1 B:Cac5551.94
AsO B:Hoh6133.77
AsO B:Hoh6224.42

interactive model:




© Copyright 2008-2012 by atomistry.com