Atomistry » Calcium » PDB 6o1t-6ojd » 6obx
Atomistry »
  Calcium »
    PDB 6o1t-6ojd »
      6obx »

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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy