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Calcium in PDB 1e36: Porcine Pancreatic Elastase Complexed with (3S, 4S)N-Para- Nitrobenzenesulphonyl -3-Ethyl-4-(Carboxylic Acid)Pyrrolidin-2-One

Enzymatic activity of Porcine Pancreatic Elastase Complexed with (3S, 4S)N-Para- Nitrobenzenesulphonyl -3-Ethyl-4-(Carboxylic Acid)Pyrrolidin-2-One

All present enzymatic activity of Porcine Pancreatic Elastase Complexed with (3S, 4S)N-Para- Nitrobenzenesulphonyl -3-Ethyl-4-(Carboxylic Acid)Pyrrolidin-2-One:
3.4.21.36;

Protein crystallography data

The structure of Porcine Pancreatic Elastase Complexed with (3S, 4S)N-Para- Nitrobenzenesulphonyl -3-Ethyl-4-(Carboxylic Acid)Pyrrolidin-2-One, PDB code: 1e36 was solved by P.A.Wright, 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) 18.30 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.170, 57.560, 74.410, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 22

Calcium Binding Sites:

The binding sites of Calcium atom in the Porcine Pancreatic Elastase Complexed with (3S, 4S)N-Para- Nitrobenzenesulphonyl -3-Ethyl-4-(Carboxylic Acid)Pyrrolidin-2-One (pdb code 1e36). 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, 4S)N-Para- Nitrobenzenesulphonyl -3-Ethyl-4-(Carboxylic Acid)Pyrrolidin-2-One, PDB code: 1e36:

Calcium binding site 1 out of 1 in 1e36

Go back to Calcium Binding Sites List in 1e36
Calcium binding site 1 out of 1 in the Porcine Pancreatic Elastase Complexed with (3S, 4S)N-Para- Nitrobenzenesulphonyl -3-Ethyl-4-(Carboxylic Acid)Pyrrolidin-2-One


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, 4S)N-Para- Nitrobenzenesulphonyl -3-Ethyl-4-(Carboxylic Acid)Pyrrolidin-2-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca260

b:18.5
occ:1.00
 OE1 B:GLU70 2.3 19.2 1.0
OD1 B:ASN77 2.3 19.6 1.0
OE2 B:GLU80 2.3 16.1 1.0
O B:ASN72 2.4 18.2 1.0
O B:GLN75 2.4 20.9 1.0
O B:HOH2054 2.4 27.6 1.0
OE2 B:GLU70 3.0 23.7 1.0
CD B:GLU70 3.0 18.6 1.0
CG B:ASN77 3.4 19.7 1.0
CD B:GLU80 3.4 16.4 1.0
C B:ASN72 3.5 16.7 1.0
C B:GLN75 3.6 23.3 1.0
N B:ASN77 3.8 20.9 1.0
CG B:GLU80 3.9 16.5 1.0
N B:ASN72 4.0 14.3 1.0
CB B:ASN77 4.0 18.6 1.0
CA B:ASN72 4.2 16.2 1.0
CA B:ASN76 4.3 22.7 1.0
C B:ASN76 4.3 22.4 1.0
N B:GLN75 4.4 23.6 1.0
N B:ASN76 4.4 22.2 1.0
CG B:GLU70 4.4 17.1 1.0
N B:LEU73 4.4 16.5 1.0
ND2 B:ASN77 4.5 17.4 1.0
OE1 B:GLU80 4.5 18.4 1.0
CB B:ASN72 4.5 18.7 1.0
CA B:ASN77 4.5 19.9 1.0
CA B:LEU73 4.6 17.5 1.0
CA B:GLN75 4.6 25.1 1.0
N B:HIS71 4.6 14.3 1.0
C B:LEU73 4.7 19.9 1.0
O B:HOH2049 4.9 25.9 1.0

Reference:

P.A.Wright, R.C.Wilmouth, I.J.Clifton, C.J.Schofield. 'pH-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes Biochem.J. V. 351 335 2000.
ISSN: ISSN 0264-6021
PubMed: 11023818
DOI: 10.1042/0264-6021:3510335
Page generated: Thu Jul 11 07:43:41 2024

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