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Calcium in PDB 1btu: Porcine Pancreatic Elastase Complexed with (3S, 4R)-1- Toluenesulphonyl-3-Ethyl-Azetidin-2-One-4-Carboxylic Acid

Enzymatic activity of Porcine Pancreatic Elastase Complexed with (3S, 4R)-1- Toluenesulphonyl-3-Ethyl-Azetidin-2-One-4-Carboxylic Acid

All present enzymatic activity of Porcine Pancreatic Elastase Complexed with (3S, 4R)-1- Toluenesulphonyl-3-Ethyl-Azetidin-2-One-4-Carboxylic Acid:
3.4.21.36;

Protein crystallography data

The structure of Porcine Pancreatic Elastase Complexed with (3S, 4R)-1- Toluenesulphonyl-3-Ethyl-Azetidin-2-One-4-Carboxylic Acid, PDB code: 1btu was solved by R.C.Wilmouth, I.J.Clifton, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 23.80 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.570, 57.930, 74.720, 90.00, 90.00, 90.00
R / Rfree (%) 19.2 / 22

Calcium Binding Sites:

The binding sites of Calcium atom in the Porcine Pancreatic Elastase Complexed with (3S, 4R)-1- Toluenesulphonyl-3-Ethyl-Azetidin-2-One-4-Carboxylic Acid (pdb code 1btu). 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 Porcine Pancreatic Elastase Complexed with (3S, 4R)-1- Toluenesulphonyl-3-Ethyl-Azetidin-2-One-4-Carboxylic Acid, PDB code: 1btu:

Calcium binding site 1 out of 1 in 1btu

Go back to Calcium Binding Sites List in 1btu
Calcium binding site 1 out of 1 in the Porcine Pancreatic Elastase Complexed with (3S, 4R)-1- Toluenesulphonyl-3-Ethyl-Azetidin-2-One-4-Carboxylic Acid


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Porcine Pancreatic Elastase Complexed with (3S, 4R)-1- Toluenesulphonyl-3-Ethyl-Azetidin-2-One-4-Carboxylic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca260

b:16.0
occ:1.00
 O A:ASN72 2.2 12.7 1.0
OE1 A:GLU70 2.3 20.1 1.0
O A:GLN75 2.3 16.5 1.0
OD1 A:ASN77 2.3 15.1 1.0
OE2 A:GLU80 2.4 12.0 1.0
O A:HOH483 2.4 25.9 1.0
OE2 A:GLU70 2.8 22.4 1.0
CD A:GLU70 2.9 18.4 1.0
C A:ASN72 3.4 11.4 1.0
CG A:ASN77 3.4 14.6 1.0
CD A:GLU80 3.5 11.6 1.0
C A:GLN75 3.6 17.6 1.0
N A:ASN77 3.7 13.0 1.0
N A:ASN72 4.0 9.5 1.0
CG A:GLU80 4.0 13.7 1.0
CB A:ASN77 4.1 13.0 1.0
CA A:ASN72 4.1 10.8 1.0
CA A:ASN76 4.3 16.9 1.0
C A:ASN76 4.3 16.4 1.0
ND2 A:ASN77 4.3 11.3 1.0
O A:HOH430 4.4 27.0 1.0
N A:ASN76 4.4 15.4 1.0
N A:LEU73 4.4 13.4 1.0
N A:GLN75 4.4 20.4 1.0
CB A:ASN72 4.4 12.7 1.0
CG A:GLU70 4.4 14.3 1.0
OE1 A:GLU80 4.5 14.1 1.0
CA A:ASN77 4.5 14.2 1.0
CA A:GLN75 4.6 19.4 1.0
CA A:LEU73 4.6 14.0 1.0
N A:HIS71 4.7 9.7 1.0
C A:LEU73 4.7 15.6 1.0
O A:HOH414 4.9 25.4 1.0

Reference:

R.C.Wilmouth, N.J.Westwood, K.Anderson, W.Brownlee, T.D.Claridge, I.J.Clifton, G.J.Pritchard, R.T.Aplin, C.J.Schofield. Inhibition of Elastase By N-Sulfonylaryl Beta-Lactams: Anatomy of A Stable Acyl-Enzyme Complex. Biochemistry V. 37 17506 1998.
ISSN: ISSN 0006-2960
PubMed: 9860865
DOI: 10.1021/BI9816249
Page generated: Sat Dec 12 02:50:13 2020

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