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Calcium in PDB 1inc: Crystal Structures of the Complex of Porcine Pancreatic Elastase with Two Valine-Derived Benzoxazinone Inhibitors

Enzymatic activity of Crystal Structures of the Complex of Porcine Pancreatic Elastase with Two Valine-Derived Benzoxazinone Inhibitors

All present enzymatic activity of Crystal Structures of the Complex of Porcine Pancreatic Elastase with Two Valine-Derived Benzoxazinone Inhibitors:
3.4.21.36;

Protein crystallography data

The structure of Crystal Structures of the Complex of Porcine Pancreatic Elastase with Two Valine-Derived Benzoxazinone Inhibitors, PDB code: 1inc was solved by E.Meyer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 1.94
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.100, 58.000, 75.100, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / n/a

Other elements in 1inc:

The structure of Crystal Structures of the Complex of Porcine Pancreatic Elastase with Two Valine-Derived Benzoxazinone Inhibitors also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structures of the Complex of Porcine Pancreatic Elastase with Two Valine-Derived Benzoxazinone Inhibitors (pdb code 1inc). 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 Crystal Structures of the Complex of Porcine Pancreatic Elastase with Two Valine-Derived Benzoxazinone Inhibitors, PDB code: 1inc:

Calcium binding site 1 out of 1 in 1inc

Go back to Calcium Binding Sites List in 1inc
Calcium binding site 1 out of 1 in the Crystal Structures of the Complex of Porcine Pancreatic Elastase with Two Valine-Derived Benzoxazinone Inhibitors


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structures of the Complex of Porcine Pancreatic Elastase with Two Valine-Derived Benzoxazinone Inhibitors within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca325

b:25.9
occ:1.00
 O A:ASN72 2.2 10.0 1.0
O A:GLN75 2.2 27.1 1.0
O A:HOH327 2.2 32.6 1.0
OE2 A:GLU80 2.3 11.7 1.0
OE1 A:GLU70 2.3 24.0 1.0
ND2 A:ASN77 2.5 14.3 1.0
CD A:GLU70 3.2 11.3 1.0
C A:ASN72 3.3 19.5 1.0
CD A:GLU80 3.3 7.1 1.0
CG A:ASN77 3.3 12.1 1.0
C A:GLN75 3.4 10.6 1.0
OE2 A:GLU70 3.4 16.5 1.0
N A:ASN77 3.9 15.6 1.0
CG A:GLU80 3.9 7.0 1.0
N A:ASN72 3.9 25.4 1.0
CA A:ASN72 4.1 16.7 1.0
OD1 A:ASN77 4.1 16.3 1.0
N A:GLN75 4.1 9.9 1.0
CB A:ASN77 4.2 8.6 1.0
CA A:ASN76 4.3 21.7 1.0
N A:ASN76 4.3 7.5 1.0
OE1 A:GLU80 4.3 10.6 1.0
CA A:GLN75 4.3 8.5 1.0
N A:LEU73 4.3 17.1 1.0
CB A:ASN72 4.4 15.1 1.0
C A:ASN76 4.5 37.1 1.0
C A:LEU73 4.5 17.7 1.0
CA A:LEU73 4.5 18.6 1.0
CA A:ASN77 4.6 9.7 1.0
CG A:GLU70 4.6 10.5 1.0
N A:HIS71 4.6 8.3 1.0
O A:LEU73 4.7 10.4 1.0
O A:HOH329 4.9 42.1 1.0
N A:ASN74 4.9 13.4 1.0
C A:HIS71 5.0 11.6 1.0

Reference:

R.Radhakrishnan, L.G.Presta, E.F.Meyer Jr., R.Wildonger. Crystal Structures of the Complex of Porcine Pancreatic Elastase with Two Valine-Derived Benzoxazinone Inhibitors. J.Mol.Biol. V. 198 417 1987.
ISSN: ISSN 0022-2836
PubMed: 3430613
DOI: 10.1016/0022-2836(87)90291-9
Page generated: Thu Jul 11 10:21:16 2024

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