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Calcium in PDB 1mmj: Porcine Pancreatic Elastase Complexed with A Potent Peptidyl Inhibitor, FR136706

Enzymatic activity of Porcine Pancreatic Elastase Complexed with A Potent Peptidyl Inhibitor, FR136706

All present enzymatic activity of Porcine Pancreatic Elastase Complexed with A Potent Peptidyl Inhibitor, FR136706:
3.4.21.36;

Protein crystallography data

The structure of Porcine Pancreatic Elastase Complexed with A Potent Peptidyl Inhibitor, FR136706, PDB code: 1mmj was solved by T.Kinoshita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.290, 58.310, 75.520, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 24.1

Other elements in 1mmj:

The structure of Porcine Pancreatic Elastase Complexed with A Potent Peptidyl Inhibitor, FR136706 also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Porcine Pancreatic Elastase Complexed with A Potent Peptidyl Inhibitor, FR136706 (pdb code 1mmj). 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 A Potent Peptidyl Inhibitor, FR136706, PDB code: 1mmj:

Calcium binding site 1 out of 1 in 1mmj

Go back to Calcium Binding Sites List in 1mmj
Calcium binding site 1 out of 1 in the Porcine Pancreatic Elastase Complexed with A Potent Peptidyl Inhibitor, FR136706


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 A Potent Peptidyl Inhibitor, FR136706 within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Ca250

b:26.7
occ:1.00
 O N:ASN61 2.2 14.6 1.0
O N:GLN64 2.3 17.6 1.0
O N:HOH1281 2.4 12.9 1.0
OE2 N:GLU69 2.5 16.8 1.0
OD1 N:ASP66 2.5 18.4 1.0
OE1 N:GLU59 2.6 13.0 1.0
O N:ASN63 3.3 25.1 1.0
C N:ASN61 3.4 14.8 1.0
CG N:ASP66 3.4 17.8 1.0
CD N:GLU59 3.4 12.6 1.0
CD N:GLU69 3.4 16.8 1.0
C N:GLN64 3.6 18.5 1.0
N N:ASP66 3.7 17.2 1.0
OE2 N:GLU59 3.7 11.7 1.0
CG N:GLU69 3.9 14.1 1.0
N N:ASN61 4.0 14.8 1.0
CB N:ASP66 4.0 17.1 1.0
CA N:ASN61 4.1 15.2 1.0
CA N:ASN65 4.3 18.2 1.0
CB N:ASN61 4.3 16.5 1.0
OD2 N:ASP66 4.3 15.9 1.0
N N:ASN65 4.3 17.8 1.0
C N:ASN65 4.3 18.1 1.0
CA N:ASP66 4.4 17.2 1.0
N N:LEU62 4.4 14.5 1.0
C N:ASN63 4.4 21.6 1.0
OE1 N:GLU69 4.5 16.8 1.0
C N:LEU62 4.5 19.0 1.0
CA N:LEU62 4.6 16.6 1.0
O N:LEU62 4.6 20.0 1.0
CG N:GLU59 4.6 12.4 1.0
CA N:GLN64 4.7 19.3 1.0
N N:HIS60 4.8 9.6 1.0
N N:ASN63 4.9 19.8 1.0

Reference:

T.Kinoshita, I.Nakanishi, A.Sato, T.Tada. True Interaction Mode of Porcine Pancreatic Elastase with FR136706, A Potent Peptidyl Inhibitor Bioorg.Med.Chem.Lett. V. 13 21 2003.
ISSN: ISSN 0960-894X
PubMed: 12467609
DOI: 10.1016/S0960-894X(02)00852-1
Page generated: Thu Jul 11 12:33:41 2024

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