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Chlorine in PDB 1u33: In Situ Extension As An Approach For Identifying Novel Alpha-Amylase Inhibitors

Enzymatic activity of In Situ Extension As An Approach For Identifying Novel Alpha-Amylase Inhibitors

All present enzymatic activity of In Situ Extension As An Approach For Identifying Novel Alpha-Amylase Inhibitors:
3.2.1.1;

Protein crystallography data

The structure of In Situ Extension As An Approach For Identifying Novel Alpha-Amylase Inhibitors, PDB code: 1u33 was solved by S.Numao, C.Li, I.Damager, T.M.Wrodnigg, A.Begum, C.M.Overall, G.D.Brayer, S.G.Withers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.200, 67.400, 130.200, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 22.7

Other elements in 1u33:

The structure of In Situ Extension As An Approach For Identifying Novel Alpha-Amylase Inhibitors also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the In Situ Extension As An Approach For Identifying Novel Alpha-Amylase Inhibitors (pdb code 1u33). 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 In Situ Extension As An Approach For Identifying Novel Alpha-Amylase Inhibitors, PDB code: 1u33:

Chlorine binding site 1 out of 1 in 1u33

Go back to Chlorine Binding Sites List in 1u33
Chlorine binding site 1 out of 1 in the In Situ Extension As An Approach For Identifying Novel Alpha-Amylase Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of In Situ Extension As An Approach For Identifying Novel Alpha-Amylase Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl499

b:17.8
occ:1.00
 NH2 A:ARG337 3.1 14.7 1.0
NE A:ARG195 3.2 12.4 1.0
O A:HOH508 3.3 11.0 1.0
NH1 A:ARG337 3.3 12.7 1.0
ND2 A:ASN298 3.4 15.5 1.0
NH2 A:ARG195 3.4 15.7 1.0
CZ A:ARG337 3.7 12.9 1.0
CZ A:ARG195 3.8 12.3 1.0
CZ A:PHE256 3.8 11.8 1.0
CG2 A:THR254 3.8 14.5 1.0
CG A:GLU233 3.9 13.2 1.0
CD A:ARG195 4.2 14.5 1.0
CG A:ASN298 4.3 16.6 1.0
CB A:ASN298 4.4 15.8 1.0
CB A:GLU233 4.4 15.6 1.0
CE1 A:PHE256 4.4 13.9 1.0
OE2 A:GLU233 4.6 16.0 1.0
O A:HOH532 4.7 12.9 1.0
CZ A:PHE295 4.7 13.1 1.0
CE2 A:PHE256 4.7 14.3 1.0
CD A:GLU233 4.7 16.5 1.0
CB A:THR254 4.8 16.7 1.0
CG A:ARG195 4.8 14.4 1.0
CE1 A:HIS299 4.9 17.8 1.0
CE1 A:PHE295 5.0 12.4 1.0
NE A:ARG337 5.0 14.0 1.0

Reference:

S.Numao, I.Damager, C.Li, T.M.Wrodnigg, A.Begum, C.M.Overall, G.D.Brayer, S.G.Withers. In Situ Extension As An Approach For Identifying Novel Alpha-Amylase Inhibitors. J.Biol.Chem. V. 279 48282 2004.
ISSN: ISSN 0021-9258
PubMed: 15304511
DOI: 10.1074/JBC.M406804200
Page generated: Thu Jul 10 19:41:18 2025

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