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Calcium in PDB 1qr3: Structure of Porcine Pancreatic Elastase in Complex with FR901277, A Novel Macrocyclic Inhibitor of Elastases at 1.6 Angstrom Resolution

Enzymatic activity of Structure of Porcine Pancreatic Elastase in Complex with FR901277, A Novel Macrocyclic Inhibitor of Elastases at 1.6 Angstrom Resolution

All present enzymatic activity of Structure of Porcine Pancreatic Elastase in Complex with FR901277, A Novel Macrocyclic Inhibitor of Elastases at 1.6 Angstrom Resolution:
3.4.21.36;

Protein crystallography data

The structure of Structure of Porcine Pancreatic Elastase in Complex with FR901277, A Novel Macrocyclic Inhibitor of Elastases at 1.6 Angstrom Resolution, PDB code: 1qr3 was solved by I.Nakanishi, T.Kinoshita, A.Sato, T.Tada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.670, 57.840, 75.520, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / n/a

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of Porcine Pancreatic Elastase in Complex with FR901277, A Novel Macrocyclic Inhibitor of Elastases at 1.6 Angstrom Resolution (pdb code 1qr3). 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 Structure of Porcine Pancreatic Elastase in Complex with FR901277, A Novel Macrocyclic Inhibitor of Elastases at 1.6 Angstrom Resolution, PDB code: 1qr3:

Calcium binding site 1 out of 1 in 1qr3

Go back to Calcium Binding Sites List in 1qr3
Calcium binding site 1 out of 1 in the Structure of Porcine Pancreatic Elastase in Complex with FR901277, A Novel Macrocyclic Inhibitor of Elastases at 1.6 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Porcine Pancreatic Elastase in Complex with FR901277, A Novel Macrocyclic Inhibitor of Elastases at 1.6 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca400

b:72.2
occ:1.00
 O E:HOH463 2.4 70.8 1.0
O E:HOH437 2.5 40.3 1.0
O E:HOH561 2.5 44.5 1.0
O E:HOH643 2.5 71.5 1.0
O E:LEU73 2.6 25.3 1.0
OE1 E:GLU70 2.8 27.4 1.0
C E:LEU73 3.7 24.5 1.0
CD E:GLU70 3.8 27.9 1.0
OH E:TYR82 4.1 25.6 1.0
O E:HOH599 4.2 64.8 1.0
OE2 E:GLU70 4.2 27.6 1.0
CA E:LEU73 4.2 22.2 1.0
NE2 E:GLN34 4.3 23.0 1.0
CE2 E:TYR82 4.5 22.8 1.0
OE1 E:GLN34 4.6 22.7 1.0
O E:ASN72 4.7 19.8 1.0
N E:ASN74 4.8 26.1 1.0
CB E:LEU73 4.8 21.9 1.0
CZ E:TYR82 4.9 23.2 1.0
CD2 E:LEU73 4.9 22.3 1.0
CD E:GLN34 4.9 22.7 1.0
NH2 E:ARG65A 5.0 27.2 1.0
CG E:GLU70 5.0 27.9 1.0

Reference:

I.Nakanishi, T.Kinoshita, A.Sato, T.Tada. Structure of Porcine Pancreatic Elastase Complexed with FR901277, A Novel Macrocyclic Inhibitor of Elastases, at 1.6 A Resolution. Biopolymers V. 53 434 2000.
ISSN: ISSN 0006-3525
PubMed: 10738204
DOI: 10.1002/(SICI)1097-0282(20000415)53:5<434::AID-BIP7>3.0.CO;2-5
Page generated: Thu Jul 11 21:59:05 2024

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