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Calcium in PDB 8b49: Structure of Porcine Pancreatic Elastase Bound to A Fragment (M- Toluoylcarbonyl Group) of A 5-Azaindole Inhibitor

Enzymatic activity of Structure of Porcine Pancreatic Elastase Bound to A Fragment (M- Toluoylcarbonyl Group) of A 5-Azaindole Inhibitor

All present enzymatic activity of Structure of Porcine Pancreatic Elastase Bound to A Fragment (M- Toluoylcarbonyl Group) of A 5-Azaindole Inhibitor:
3.4.21.36;

Protein crystallography data

The structure of Structure of Porcine Pancreatic Elastase Bound to A Fragment (M- Toluoylcarbonyl Group) of A 5-Azaindole Inhibitor, PDB code: 8b49 was solved by M.Ferraroni, P.Giovannoni, A.Gerace, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.19
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.19, 58.03, 74.58, 90, 90, 90
R / Rfree (%) 11.8 / 14.3

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of Porcine Pancreatic Elastase Bound to A Fragment (M- Toluoylcarbonyl Group) of A 5-Azaindole Inhibitor (pdb code 8b49). 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 Structure of Porcine Pancreatic Elastase Bound to A Fragment (M- Toluoylcarbonyl Group) of A 5-Azaindole Inhibitor, PDB code: 8b49:

Calcium binding site 1 out of 1 in 8b49

Go back to Calcium Binding Sites List in 8b49
Calcium binding site 1 out of 1 in the Structure of Porcine Pancreatic Elastase Bound to A Fragment (M- Toluoylcarbonyl Group) of A 5-Azaindole Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Porcine Pancreatic Elastase Bound to A Fragment (M- Toluoylcarbonyl Group) of A 5-Azaindole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca303

b:15.9
occ:0.70
 O A:ASN72 2.3 13.8 1.0
OE2 A:GLU80 2.3 14.9 1.0
O A:GLN75 2.3 18.1 1.0
OE1 A:GLU70 2.3 19.3 1.0
OD2 A:ASP77 2.4 14.4 1.0
O A:HOH628 2.4 53.3 1.0
CG A:ASP77 3.3 14.1 1.0
CD A:GLU70 3.4 15.1 1.0
CD A:GLU80 3.4 14.7 1.0
C A:ASN72 3.4 12.6 1.0
C A:GLN75 3.5 16.8 1.0
N A:ASP77 3.7 15.5 1.0
OE2 A:GLU70 3.9 21.3 1.0
CG A:GLU80 3.9 13.8 1.0
N A:ASN72 4.0 12.8 1.0
CB A:ASP77 4.0 13.8 1.0
CA A:ASN72 4.2 12.7 1.0
OD1 A:ASP77 4.2 15.6 1.0
CA A:ASN76 4.3 16.9 1.0
N A:GLN75 4.3 18.5 1.0
N A:ASN76 4.4 17.1 1.0
C A:ASN76 4.4 15.9 1.0
CB A:ASN72 4.4 15.3 1.0
N A:LEU73 4.5 12.5 1.0
OE1 A:GLU80 4.5 15.6 1.0
CA A:ASP77 4.5 15.0 1.0
CA A:GLN75 4.6 18.1 1.0
N A:HIS71 4.6 11.6 1.0
CG A:GLU70 4.6 13.9 1.0
C A:LEU73 4.6 16.7 1.0
CA A:LEU73 4.7 13.5 1.0
O A:LEU73 4.9 22.6 1.0
OH A:TYR82 4.9 25.6 1.0
N A:ASN74 4.9 17.9 1.0

Reference:

A.Gerace, V.Masini, L.Crocetti, M.P.Giovannoni, M.Ferraroni. X-Ray Structural Study of Human Neutrophil Elastase Inhibition with A Series of Azaindoles, Azaindazoles and Isoxazolones J.Mol.Struct. V.1274 34595 2023.
ISSN: ISSN 0022-2860
DOI: 10.1016/J.MOLSTRUC.2022.134595
Page generated: Thu Dec 28 01:34:21 2023

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