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Calcium in PDB 1b0e: Crystal Structure of Porcine Pancreatic Elastase with Mdl 101,146

Enzymatic activity of Crystal Structure of Porcine Pancreatic Elastase with Mdl 101,146

All present enzymatic activity of Crystal Structure of Porcine Pancreatic Elastase with Mdl 101,146:
3.4.21.36;

Protein crystallography data

The structure of Crystal Structure of Porcine Pancreatic Elastase with Mdl 101,146, PDB code: 1b0e was solved by H.A.Schreuder, W.A.Metz, N.P.Peet, J.T.Pelton, C.Tardif, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.80
Space group P 31
Cell size a, b, c (Å), α, β, γ (°) 69.100, 69.100, 51.100, 90.00, 90.00, 120.00
R / Rfree (%) 18 / n/a

Other elements in 1b0e:

The structure of Crystal Structure of Porcine Pancreatic Elastase with Mdl 101,146 also contains other interesting chemical elements:

Fluorine (F) 5 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Porcine Pancreatic Elastase with Mdl 101,146 (pdb code 1b0e). 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 Structure of Porcine Pancreatic Elastase with Mdl 101,146, PDB code: 1b0e:

Calcium binding site 1 out of 1 in 1b0e

Go back to Calcium Binding Sites List in 1b0e
Calcium binding site 1 out of 1 in the Crystal Structure of Porcine Pancreatic Elastase with Mdl 101,146


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Porcine Pancreatic Elastase with Mdl 101,146 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca301

b:20.4
occ:1.00
 O A:GLN75 2.3 29.0 1.0
O A:ASN72 2.4 17.3 1.0
OE1 A:GLU70 2.4 13.5 1.0
O A:HOH315 2.5 24.8 1.0
OE2 A:GLU80 2.5 18.2 1.0
OD1 A:ASN77 2.5 21.5 1.0
CD A:GLU70 3.2 17.9 1.0
OE2 A:GLU70 3.2 20.0 1.0
CG A:ASN77 3.5 27.5 1.0
C A:ASN72 3.5 17.3 1.0
C A:GLN75 3.5 31.4 1.0
CD A:GLU80 3.5 17.6 1.0
N A:ASN77 3.9 30.0 1.0
CG A:GLU80 3.9 16.4 1.0
N A:ASN72 4.0 15.1 1.0
CB A:ASN77 4.2 26.8 1.0
CA A:ASN72 4.2 16.8 1.0
CA A:ASN76 4.3 33.0 1.0
N A:GLN75 4.3 29.4 1.0
N A:ASN76 4.4 32.1 1.0
ND2 A:ASN77 4.4 27.2 1.0
C A:ASN76 4.5 32.3 1.0
N A:LEU73 4.5 19.2 1.0
CB A:ASN72 4.5 15.3 1.0
CA A:GLN75 4.5 30.9 1.0
CG A:GLU70 4.6 12.4 1.0
OE1 A:GLU80 4.6 19.8 1.0
N A:HIS71 4.7 13.5 1.0
CA A:LEU73 4.7 21.2 1.0
C A:LEU73 4.7 23.9 1.0
CA A:ASN77 4.7 28.0 1.0
O A:LEU73 4.9 24.2 1.0
OH A:TYR82 4.9 27.4 1.0

Reference:

R.J.Cregge, S.L.Durham, R.A.Farr, S.L.Gallion, C.M.Hare, R.V.Hoffman, M.J.Janusz, H.O.Kim, J.R.Koehl, S.Mehdi, W.A.Metz, N.P.Peet, J.T.Pelton, H.A.Schreuder, S.Sunder, C.Tardif. Inhibition of Human Neutrophil Elastase. 4. Design, Synthesis, X-Ray Crystallographic Analysis, and Structure-Activity Relationships For A Series of P2-Modified, Orally Active Peptidyl Pentafluoroethyl Ketones. J.Med.Chem. V. 41 2461 1998.
ISSN: ISSN 0022-2623
PubMed: 9651152
DOI: 10.1021/JM970812E
Page generated: Thu Jul 11 06:12:31 2024

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