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Calcium in PDB 1ele: Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors

Enzymatic activity of Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors

All present enzymatic activity of Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors:
3.4.21.36;

Protein crystallography data

The structure of Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors, PDB code: 1ele was solved by C.Mattos, G.A.Petsko, D.Ringe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.400, 57.600, 75.300, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / n/a

Other elements in 1ele:

The structure of Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors (pdb code 1ele). 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 Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors, PDB code: 1ele:

Calcium binding site 1 out of 1 in 1ele

Go back to Calcium Binding Sites List in 1ele
Calcium binding site 1 out of 1 in the Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca280

b:31.4
occ:1.00
O E:ASN76 2.4 14.2 1.0
OE2 E:GLU84 2.5 11.8 1.0
O E:GLN79 2.5 33.2 1.0
O E:HOH327 2.5 35.8 1.0
OE1 E:GLU74 2.6 21.6 1.0
OD1 E:ASN81 2.7 18.0 1.0
OE2 E:GLU74 3.3 24.1 1.0
C E:GLN79 3.3 33.2 1.0
CD E:GLU74 3.3 20.6 1.0
CD E:GLU84 3.6 14.6 1.0
C E:ASN76 3.6 15.2 1.0
CG E:ASN81 3.8 13.1 1.0
N E:GLN79 3.9 34.4 1.0
N E:ASN80 3.9 30.6 1.0
CA E:ASN80 3.9 29.5 1.0
CG E:GLU84 4.1 11.9 1.0
N E:ASN81 4.1 25.3 1.0
O E:HOH645 4.1 42.9 1.0
O E:LEU77 4.2 18.2 1.0
CA E:GLN79 4.2 34.3 1.0
C E:LEU77 4.2 19.5 1.0
CA E:LEU77 4.3 16.9 1.0
N E:LEU77 4.4 14.7 1.0
C E:ASN80 4.4 27.7 1.0
N E:ASN76 4.4 11.8 1.0
CA E:ASN76 4.5 12.3 1.0
OE1 E:GLU84 4.6 14.2 1.0
CB E:ASN81 4.6 17.3 1.0
ND2 E:ASN81 4.6 14.2 1.0
O E:HOH647 4.6 22.4 1.0
CB E:ASN76 4.7 13.9 1.0
OH E:TYR86 4.7 29.9 1.0
CG E:GLU74 4.8 18.5 1.0
N E:ASN78 4.8 23.4 1.0
O E:HOH644 5.0 21.2 1.0

Reference:

C.Mattos, D.A.Giammona, G.A.Petsko, D.Ringe. Structural Analysis of the Active Site of Porcine Pancreatic Elastase Based on the X-Ray Crystal Structures of Complexes with Trifluoroacetyl-Dipeptide-Anilide Inhibitors. Biochemistry V. 34 3193 1995.
ISSN: ISSN 0006-2960
PubMed: 7880814
DOI: 10.1021/BI00010A008
Page generated: Thu Jul 11 07:53:14 2024

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