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Calcium in PDB 1bma: Benzyl Methyl Aminimide Inhibitor Complexed to Porcine Pancreatic Elastase

Enzymatic activity of Benzyl Methyl Aminimide Inhibitor Complexed to Porcine Pancreatic Elastase

All present enzymatic activity of Benzyl Methyl Aminimide Inhibitor Complexed to Porcine Pancreatic Elastase:
3.4.21.36;

Protein crystallography data

The structure of Benzyl Methyl Aminimide Inhibitor Complexed to Porcine Pancreatic Elastase, PDB code: 1bma was solved by E.Peisach, D.Casebier, S.L.Gallion, P.Furth, G.A.Petsko, J.C.Hogan Jr., D.Ringe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.160, 57.680, 75.520, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / n/a

Other elements in 1bma:

The structure of Benzyl Methyl Aminimide Inhibitor Complexed to Porcine Pancreatic Elastase also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Benzyl Methyl Aminimide Inhibitor Complexed to Porcine Pancreatic Elastase (pdb code 1bma). 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 Benzyl Methyl Aminimide Inhibitor Complexed to Porcine Pancreatic Elastase, PDB code: 1bma:

Calcium binding site 1 out of 1 in 1bma

Go back to Calcium Binding Sites List in 1bma
Calcium binding site 1 out of 1 in the Benzyl Methyl Aminimide Inhibitor Complexed to Porcine Pancreatic Elastase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Benzyl Methyl Aminimide Inhibitor Complexed to Porcine Pancreatic Elastase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca280

b:20.8
occ:1.00
 O A:ASN76 2.4 14.6 1.0
O A:GLN79 2.4 20.8 1.0
OE1 A:GLU74 2.5 16.4 1.0
OE2 A:GLU84 2.5 16.6 1.0
OD1 A:ASN81 2.5 20.3 1.0
O A:HOH355 2.5 27.2 1.0
OE2 A:GLU74 3.1 19.4 1.0
CD A:GLU74 3.2 17.1 1.0
C A:ASN76 3.5 13.5 1.0
CG A:ASN81 3.5 20.2 1.0
C A:GLN79 3.6 26.6 1.0
CD A:GLU84 3.6 16.6 1.0
N A:ASN81 4.0 20.9 1.0
N A:ASN76 4.0 12.6 1.0
CG A:GLU84 4.0 14.6 1.0
N A:GLN79 4.1 29.1 1.0
CB A:ASN81 4.2 19.8 1.0
CA A:ASN76 4.2 12.9 1.0
CA A:ASN80 4.2 26.1 1.0
N A:ASN80 4.3 24.4 1.0
C A:ASN80 4.4 24.8 1.0
ND2 A:ASN81 4.4 19.3 1.0
CA A:GLN79 4.4 27.7 1.0
N A:LEU77 4.4 13.1 1.0
CB A:ASN76 4.5 14.4 1.0
C A:LEU77 4.5 18.8 1.0
O A:LEU77 4.5 16.9 1.0
CA A:LEU77 4.5 16.3 1.0
OE1 A:GLU84 4.6 15.5 1.0
CG A:GLU74 4.6 14.2 1.0
CA A:ASN81 4.7 20.8 1.0
N A:HIS75 4.7 15.9 1.0
N A:ASN78 4.9 22.2 1.0
C A:HIS75 5.0 15.2 1.0

Reference:

E.Peisach, D.Casebier, S.L.Gallion, P.Furth, G.A.Petsko, J.C.Hogan Jr., D.Ringe. Interaction of A Peptidomimetic Aminimide Inhibitor with Elastase. Science V. 269 66 1995.
ISSN: ISSN 0036-8075
PubMed: 7604279
Page generated: Thu Jul 11 06:29:46 2024

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