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Chlorine in PDB 6obx: Montbretin A Analogue M10-Mba in Complex with Human Pancreatic Alpha- Amylase

Enzymatic activity of Montbretin A Analogue M10-Mba in Complex with Human Pancreatic Alpha- Amylase

All present enzymatic activity of Montbretin A Analogue M10-Mba in Complex with Human Pancreatic Alpha- Amylase:
3.2.1.1;

Protein crystallography data

The structure of Montbretin A Analogue M10-Mba in Complex with Human Pancreatic Alpha- Amylase, PDB code: 6obx was solved by S.Caner, G.D.Brayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.60 / 1.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.420, 68.220, 130.330, 90.00, 90.00, 90.00
R / Rfree (%) 9.9 / 12.3

Other elements in 6obx:

The structure of Montbretin A Analogue M10-Mba in Complex with Human Pancreatic Alpha- Amylase also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Montbretin A Analogue M10-Mba in Complex with Human Pancreatic Alpha- Amylase (pdb code 6obx). 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 Montbretin A Analogue M10-Mba in Complex with Human Pancreatic Alpha- Amylase, PDB code: 6obx:

Chlorine binding site 1 out of 1 in 6obx

Go back to Chlorine Binding Sites List in 6obx
Chlorine binding site 1 out of 1 in the Montbretin A Analogue M10-Mba in Complex with Human Pancreatic Alpha- Amylase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Montbretin A Analogue M10-Mba in Complex with Human Pancreatic Alpha- Amylase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:9.3
occ:1.00
 HE A:ARG195 2.3 11.1 1.0
HH22 A:ARG337 2.4 12.5 1.0
HD22 A:ASN298 2.5 12.1 1.0
HH21 A:ARG195 2.6 10.7 1.0
HH12 A:ARG337 2.6 10.8 1.0
HG21 A:THR254 3.0 12.2 1.0
HG3 A:GLU233 3.2 11.7 1.0
NE A:ARG195 3.2 9.2 1.0
NH2 A:ARG337 3.2 10.4 1.0
O A:HOH1036 3.3 10.8 1.0
HZ A:PHE256 3.3 10.8 1.0
ND2 A:ASN298 3.3 10.1 1.0
NH1 A:ARG337 3.3 9.0 1.0
NH2 A:ARG195 3.3 8.9 1.0
HD21 A:ASN298 3.7 12.1 1.0
CZ A:ARG337 3.7 8.9 1.0
CZ A:ARG195 3.7 8.2 1.0
HB2 A:ASN298 3.7 12.3 1.0
HG22 A:THR254 3.8 12.2 1.0
CG2 A:THR254 3.8 10.2 1.0
HH21 A:ARG337 3.9 12.5 1.0
CZ A:PHE256 4.0 9.0 1.0
HB2 A:GLU233 4.0 10.8 1.0
HH11 A:ARG337 4.0 10.8 1.0
HH22 A:ARG195 4.1 10.7 1.0
CG A:GLU233 4.1 9.7 1.0
HD2 A:ARG195 4.1 11.8 1.0
HB3 A:ASN298 4.2 12.3 1.0
CD A:ARG195 4.2 9.9 1.0
CB A:ASN298 4.3 10.3 1.0
CG A:ASN298 4.3 9.0 1.0
HE1 A:PHE256 4.4 11.0 1.0
HE1 A:HIS299 4.4 14.4 1.0
HG23 A:THR254 4.4 12.2 1.0
HG3 A:ARG195 4.5 11.2 1.0
HZ A:PHE295 4.5 11.9 1.0
OE2 A:GLU233 4.6 12.0 1.0
HB A:THR254 4.6 10.6 1.0
CE1 A:PHE256 4.6 9.2 1.0
CB A:GLU233 4.6 9.0 1.0
CZ A:PHE295 4.6 9.9 1.0
HE22 A:GLN41 4.6 11.0 1.0
CD A:GLU233 4.7 11.1 1.0
HG2 A:GLU233 4.7 11.7 1.0
CB A:THR254 4.8 8.8 1.0
HA A:GLU233 4.8 10.0 1.0
CE1 A:PHE295 4.9 10.0 1.0
CE2 A:PHE256 4.9 10.1 1.0
HE2 A:PHE256 4.9 12.2 1.0
HE1 A:PHE295 4.9 12.0 1.0
O A:HOH882 4.9 13.3 1.0
CG A:ARG195 4.9 9.3 1.0
HE2 A:TYR231 5.0 10.2 1.0
HD3 A:ARG195 5.0 11.8 1.0

Reference:

C.Tysoe, S.Caner, M.Calvert, A.Win-Mason, G.D.Brayer, S.G.Withers. Synthesis of Montbretin A Analogues Yields Potent Competitive Inhibitors of Human Pancreatic Alpha Amylase Chem Sci 2019.
ISSN: ESSN 2041-6539
Page generated: Mon Jul 29 12:38:14 2024

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