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Calcium in PDB 5u3a: Ultra High Resolution Crystal Structure of Human Pancreatic Alpha Amylase

Enzymatic activity of Ultra High Resolution Crystal Structure of Human Pancreatic Alpha Amylase

All present enzymatic activity of Ultra High Resolution Crystal Structure of Human Pancreatic Alpha Amylase:
3.2.1.1;

Protein crystallography data

The structure of Ultra High Resolution Crystal Structure of Human Pancreatic Alpha Amylase, PDB code: 5u3a 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 / 0.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.100, 67.840, 130.410, 90.00, 90.00, 90.00
R / Rfree (%) 11 / 12.1

Other elements in 5u3a:

The structure of Ultra High Resolution Crystal Structure of 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 Ultra High Resolution Crystal Structure of Human Pancreatic Alpha Amylase (pdb code 5u3a). 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 Ultra High Resolution Crystal Structure of Human Pancreatic Alpha Amylase, PDB code: 5u3a:

Calcium binding site 1 out of 1 in 5u3a

Go back to Calcium Binding Sites List in 5u3a
Calcium binding site 1 out of 1 in the Ultra High Resolution Crystal Structure of 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 Ultra High Resolution Crystal Structure of Human Pancreatic Alpha Amylase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:6.0
occ:1.00
 OD1 A:ASN100 2.4 6.7 1.0
O A:ARG158 2.4 7.4 1.0
O A:HIS201 2.4 6.5 1.0
O A:HOH891 2.5 7.2 1.0
OD2 A:ASP167 2.5 7.7 1.0
OD1 A:ASP167 2.5 7.0 1.0
O A:HOH722 2.5 7.3 1.0
O A:HOH972 2.5 8.1 1.0
CG A:ASP167 2.8 7.1 1.0
C A:ARG158 3.5 7.0 1.0
HB3 A:HIS201 3.5 7.9 1.0
CG A:ASN100 3.5 6.7 1.0
HA A:ARG158 3.6 8.7 1.0
C A:HIS201 3.6 6.1 1.0
HD21 A:ASN100 3.6 8.7 1.0
ND2 A:ASN100 3.9 7.3 1.0
HA A:MET202 3.9 7.8 1.0
HD22 A:ASN137 3.9 10.9 1.0
HG2 A:MET202 4.0 8.4 1.0
CA A:ARG158 4.1 7.3 1.0
CB A:HIS201 4.2 6.6 1.0
HA A:ASP159 4.3 9.2 1.0
O A:ASN100 4.4 6.9 1.0
CB A:ASP167 4.4 7.2 1.0
CA A:HIS201 4.4 6.3 1.0
HD21 A:ASN137 4.4 10.9 1.0
HB2 A:HIS201 4.4 7.9 1.0
O A:HOH758 4.5 9.4 1.0
N A:ASP159 4.5 7.4 1.0
ND2 A:ASN137 4.5 9.1 1.0
N A:MET202 4.5 6.2 1.0
HA A:HIS201 4.5 7.6 1.0
O A:CYS160 4.6 8.2 1.0
HB3 A:ARG158 4.6 9.2 1.0
CA A:MET202 4.7 6.5 1.0
O A:VAL157 4.7 7.2 1.0
HD12 A:LEU170 4.7 10.8 1.0
HA A:ASP167 4.7 8.5 1.0
HB3 A:ASP167 4.8 8.6 1.0
CB A:ASN100 4.8 6.7 1.0
HD22 A:ASN100 4.8 8.7 1.0
CA A:ASP159 4.8 7.6 1.0
O A:LEU168 4.8 7.5 1.0
HB2 A:ASP167 4.8 8.6 1.0
HA A:ASN100 4.9 7.6 1.0
CG A:MET202 4.9 7.0 1.0
HG3 A:MET202 4.9 8.4 1.0
O A:HOH747 4.9 7.7 1.0
CB A:ARG158 4.9 7.7 1.0
HB2 A:ASN100 5.0 8.0 1.0

Reference:

L.Goldbach, B.J.A.Vermeulen, S.Caner, M.Liu, C.Tysoe, L.Van Gijzel, R.Yoshisada, M.Trellet, H.Van Ingen, G.D.Brayer, A.M.J.J.Bonvin, S.A.K.Jongkees. Folding Then Binding Vs Folding Through Binding in Macrocyclic Peptide Inhibitors of Human Pancreatic Alpha-Amylase. Acs Chem.Biol. V. 14 1751 2019.
ISSN: ESSN 1554-8937
PubMed: 31241898
DOI: 10.1021/ACSCHEMBIO.9B00290
Page generated: Wed Jul 9 10:25:22 2025

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