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Chlorine in PDB 3cpu: Subsite Mapping of the Active Site of Human Pancreatic Alpha-Amylase Using Substrates, the Pharmacological Inhibitor Acarbose, and An Active Site Variant

Enzymatic activity of Subsite Mapping of the Active Site of Human Pancreatic Alpha-Amylase Using Substrates, the Pharmacological Inhibitor Acarbose, and An Active Site Variant

All present enzymatic activity of Subsite Mapping of the Active Site of Human Pancreatic Alpha-Amylase Using Substrates, the Pharmacological Inhibitor Acarbose, and An Active Site Variant:
3.2.1.1;

Protein crystallography data

The structure of Subsite Mapping of the Active Site of Human Pancreatic Alpha-Amylase Using Substrates, the Pharmacological Inhibitor Acarbose, and An Active Site Variant, PDB code: 3cpu was solved by G.D.Brayer, G.Sidhu, R.Maurus, E.H.Rydberg, C.Braun, Y.Wang, N.T.Nguyen, C.M.Overall, S.G.Withers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.910, 75.390, 136.120, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / n/a

Other elements in 3cpu:

The structure of Subsite Mapping of the Active Site of Human Pancreatic Alpha-Amylase Using Substrates, the Pharmacological Inhibitor Acarbose, and An Active Site Variant also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Subsite Mapping of the Active Site of Human Pancreatic Alpha-Amylase Using Substrates, the Pharmacological Inhibitor Acarbose, and An Active Site Variant (pdb code 3cpu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Subsite Mapping of the Active Site of Human Pancreatic Alpha-Amylase Using Substrates, the Pharmacological Inhibitor Acarbose, and An Active Site Variant, PDB code: 3cpu:

Chlorine binding site 1 out of 1 in 3cpu

Go back to Chlorine Binding Sites List in 3cpu
Chlorine binding site 1 out of 1 in the Subsite Mapping of the Active Site of Human Pancreatic Alpha-Amylase Using Substrates, the Pharmacological Inhibitor Acarbose, and An Active Site Variant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Subsite Mapping of the Active Site of Human Pancreatic Alpha-Amylase Using Substrates, the Pharmacological Inhibitor Acarbose, and An Active Site Variant within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl498

b:16.7
occ:1.00
 NH2 A:ARG337 3.2 10.8 1.0
NE A:ARG195 3.3 9.3 1.0
O A:HOH519 3.3 10.8 1.0
NH1 A:ARG337 3.3 10.4 1.0
ND2 A:ASN298 3.4 13.1 1.0
NH2 A:ARG195 3.4 11.2 1.0
CZ A:ARG337 3.7 11.5 1.0
CG2 A:THR254 3.8 10.1 1.0
CZ A:ARG195 3.8 9.6 1.0
CG A:GLU233 4.1 15.8 1.0
CZ A:PHE256 4.2 15.9 1.0
CD A:ARG195 4.4 12.9 1.0
CG A:ASN298 4.4 13.9 1.0
CB A:ASN298 4.5 8.7 1.0
CB A:GLU233 4.7 13.8 1.0
CE2 A:PHE256 4.8 16.7 1.0
CB A:THR254 4.8 8.3 1.0
CZ A:PHE295 4.8 10.7 1.0
CG A:ARG195 4.8 11.3 1.0
CE1 A:PHE295 4.9 11.0 1.0

Reference:

G.D.Brayer, G.Sidhu, R.Maurus, E.H.Rydberg, C.Braun, Y.Wang, N.T.Nguyen, C.M.Overall, S.G.Withers. Subsite Mapping of the Human Pancreatic Alpha-Amylase Active Site Through Structural, Kinetic, and Mutagenesis Techniques. Biochemistry V. 39 4778 2000.
ISSN: ISSN 0006-2960
PubMed: 10769135
DOI: 10.1021/BI9921182
Page generated: Sat Jul 20 17:44:36 2024

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