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Calcium in PDB 4gqq: Human Pancreatic Alpha-Amylase with Bound Ethyl Caffeate

Enzymatic activity of Human Pancreatic Alpha-Amylase with Bound Ethyl Caffeate

All present enzymatic activity of Human Pancreatic Alpha-Amylase with Bound Ethyl Caffeate:
3.2.1.1;

Protein crystallography data

The structure of Human Pancreatic Alpha-Amylase with Bound Ethyl Caffeate, PDB code: 4gqq was solved by L.K.Williams, G.D.Brayer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 52.06 / 1.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.060, 68.120, 125.910, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 22.7

Other elements in 4gqq:

The structure of Human Pancreatic Alpha-Amylase with Bound Ethyl Caffeate also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Human Pancreatic Alpha-Amylase with Bound Ethyl Caffeate (pdb code 4gqq). 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 Human Pancreatic Alpha-Amylase with Bound Ethyl Caffeate, PDB code: 4gqq:

Calcium binding site 1 out of 1 in 4gqq

Go back to Calcium Binding Sites List in 4gqq
Calcium binding site 1 out of 1 in the Human Pancreatic Alpha-Amylase with Bound Ethyl Caffeate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Pancreatic Alpha-Amylase with Bound Ethyl Caffeate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca506

b:8.4
occ:1.00
O A:HOH672 2.4 9.7 1.0
OD1 A:ASN100 2.4 8.6 1.0
O A:HIS201 2.4 7.5 1.0
O A:ARG158 2.5 10.6 1.0
OD2 A:ASP167 2.5 9.7 1.0
OD1 A:ASP167 2.5 9.0 1.0
O A:HOH676 2.5 12.6 1.0
O A:HOH682 2.6 9.1 1.0
CG A:ASP167 2.8 10.0 1.0
CG A:ASN100 3.5 8.1 1.0
C A:ARG158 3.5 10.4 1.0
C A:HIS201 3.6 8.1 1.0
ND2 A:ASN100 4.0 8.5 1.0
CA A:ARG158 4.1 10.0 1.0
CB A:HIS201 4.3 8.2 1.0
CB A:ASP167 4.4 9.9 1.0
O A:ASN100 4.4 8.3 1.0
O A:HOH628 4.5 14.8 1.0
CA A:HIS201 4.5 8.2 1.0
N A:ASP159 4.5 10.5 1.0
ND2 A:ASN137 4.5 12.1 1.0
O A:VAL157 4.6 10.4 1.0
O A:CYS160 4.6 11.5 1.0
N A:MET202 4.6 8.0 1.0
CA A:MET202 4.6 8.0 1.0
CA A:ASP159 4.7 11.5 1.0
CG A:MET202 4.7 7.8 1.0
CB A:ASN100 4.8 7.5 1.0
O A:LEU168 4.8 10.1 1.0
O A:HOH604 4.9 9.6 1.0
C A:ASP159 5.0 11.7 1.0

Reference:

L.K.Williams, C.Li, S.G.Withers, G.D.Brayer. Order and Disorder: Differential Structural Impacts of Myricetin and Ethyl Caffeate on Human Amylase, An Antidiabetic Target. J.Med.Chem. V. 55 10177 2012.
ISSN: ISSN 0022-2623
PubMed: 23050660
DOI: 10.1021/JM301273U
Page generated: Sat Dec 12 04:48:40 2020

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