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Calcium 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:

Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total only one binding site of Calcium was determined in the Montbretin A Analogue M10-Mba in Complex with Human Pancreatic Alpha- Amylase, PDB code: 6obx:

Calcium binding site 1 out of 1 in 6obx

Go back to Calcium Binding Sites List in 6obx
Calcium 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 Calcium with other atoms in the Ca 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:Ca602

b:7.4
occ:1.00
 OD1 A:ASN100 2.4 8.2 1.0
O A:HIS201 2.4 8.0 1.0
O A:ARG158 2.4 9.2 1.0
O A:HOH928 2.5 9.4 1.0
OD2 A:ASP167 2.5 9.4 1.0
O A:HOH820 2.5 8.9 1.0
OD1 A:ASP167 2.5 9.0 1.0
O A:HOH1028 2.5 10.1 1.0
CG A:ASP167 2.9 8.8 1.0
C A:ARG158 3.5 8.9 1.0
CG A:ASN100 3.5 8.2 1.0
HB3 A:HIS201 3.5 9.3 1.0
HA A:ARG158 3.6 10.0 1.0
HD21 A:ASN100 3.6 10.6 1.0
C A:HIS201 3.6 7.4 1.0
ND2 A:ASN100 3.9 8.9 1.0
HA A:MET202 4.0 9.4 1.0
HD22 A:ASN137 4.0 13.7 1.0
HG2 A:MET202 4.0 9.9 1.0
CA A:ARG158 4.1 8.4 1.0
CB A:HIS201 4.3 7.8 1.0
HA A:ASP159 4.3 11.1 1.0
O A:ASN100 4.4 8.5 1.0
CB A:ASP167 4.4 8.8 1.0
CA A:HIS201 4.4 7.8 1.0
HD21 A:ASN137 4.4 13.7 1.0
HB2 A:HIS201 4.5 9.3 1.0
O A:HOH870 4.5 12.6 1.0
N A:ASP159 4.5 8.9 1.0
N A:MET202 4.5 8.1 1.0
ND2 A:ASN137 4.5 11.4 1.0
HA A:HIS201 4.6 9.4 1.0
O A:CYS160 4.6 10.1 1.0
HB3 A:ARG158 4.6 11.5 1.0
CA A:MET202 4.7 7.8 1.0
O A:VAL157 4.7 9.0 1.0
HD12 A:LEU170 4.7 14.3 1.0
HA A:ASP167 4.8 10.5 1.0
HB3 A:ASP167 4.8 10.6 1.0
CB A:ASN100 4.8 8.7 1.0
HD22 A:ASN100 4.8 10.6 1.0
O A:LEU168 4.8 8.9 1.0
CA A:ASP159 4.8 9.2 1.0
HB2 A:ASP167 4.8 10.6 1.0
HA A:ASN100 4.9 9.8 1.0
CG A:MET202 4.9 8.3 1.0
HG3 A:MET202 4.9 9.9 1.0
CB A:ARG158 4.9 9.6 1.0
O A:HOH829 5.0 10.1 1.0
HB2 A:ASN100 5.0 10.4 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: Tue Jul 16 12:24:43 2024

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