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Calcium in PDB 3hgp: Structure of Porcine Pancreatic Elastase Complexed with A Potent Peptidyl Inhibitor FR130180 Determined By High Resolution Crystallography

Enzymatic activity of Structure of Porcine Pancreatic Elastase Complexed with A Potent Peptidyl Inhibitor FR130180 Determined By High Resolution Crystallography

All present enzymatic activity of Structure of Porcine Pancreatic Elastase Complexed with A Potent Peptidyl Inhibitor FR130180 Determined By High Resolution Crystallography:
3.4.21.36;

Protein crystallography data

The structure of Structure of Porcine Pancreatic Elastase Complexed with A Potent Peptidyl Inhibitor FR130180 Determined By High Resolution Crystallography, PDB code: 3hgp was solved by T.Tamada, T.Kinoshita, R.Kuroki, T.Tada, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 0.94
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 49.859, 57.049, 74.333, 90.00, 90.00, 90.00
R / Rfree (%) 10.6 / 12.8

Other elements in 3hgp:

The structure of Structure of Porcine Pancreatic Elastase Complexed with A Potent Peptidyl Inhibitor FR130180 Determined By High Resolution Crystallography also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of Porcine Pancreatic Elastase Complexed with A Potent Peptidyl Inhibitor FR130180 Determined By High Resolution Crystallography (pdb code 3hgp). 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 Complexed with A Potent Peptidyl Inhibitor FR130180 Determined By High Resolution Crystallography, PDB code: 3hgp:

Calcium binding site 1 out of 1 in 3hgp

Go back to Calcium Binding Sites List in 3hgp
Calcium binding site 1 out of 1 in the Structure of Porcine Pancreatic Elastase Complexed with A Potent Peptidyl Inhibitor FR130180 Determined By High Resolution Crystallography


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 Complexed with A Potent Peptidyl Inhibitor FR130180 Determined By High Resolution Crystallography within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca250

b:9.1
occ:1.00
 O A:ASN72 2.3 5.5 1.0
O A:GLN75 2.3 8.3 1.0
OE2 A:GLU80 2.4 4.4 1.0
OE1 A:GLU70 2.4 7.6 1.0
OD1 A:ASP77 2.4 4.6 1.0
O A:HOH437 2.4 45.7 1.0
O A:HOH565 2.8 19.1 1.0
H A:ASP77 3.0 5.5 1.0
H A:ASN72 3.3 5.1 1.0
CG A:ASP77 3.3 4.4 1.0
CD A:GLU70 3.4 4.7 1.0
CD A:GLU80 3.4 4.1 1.0
C A:ASN72 3.5 4.7 1.0
C A:GLN75 3.5 7.0 1.0
HG2 A:GLU80 3.6 5.7 1.0
N A:ASP77 3.7 4.6 1.0
HA A:ASN76 3.7 7.2 1.0
H A:GLN75 3.7 10.1 1.0
HB2 A:ASP77 3.7 5.3 1.0
HB3 A:ASN72 3.7 6.9 1.0
H A:HIS71 3.8 4.7 1.0
OE2 A:GLU70 3.8 8.7 1.0
N A:ASN72 3.9 4.2 1.0
CG A:GLU80 3.9 4.7 1.0
HG3 A:GLU80 4.0 5.7 1.0
CB A:ASP77 4.0 4.4 1.0
CA A:ASN72 4.2 4.9 1.0
HA A:GLU70 4.2 4.6 1.0
HA A:LEU73 4.2 6.2 1.0
OD2 A:ASP77 4.2 5.0 1.0
CA A:ASN76 4.3 6.0 1.0
C A:ASN76 4.3 5.4 1.0
N A:ASN76 4.3 7.2 1.0
N A:GLN75 4.4 8.4 1.0
CA A:ASP77 4.4 4.7 1.0
CB A:ASN72 4.4 5.8 1.0
O A:HOH355 4.5 40.0 1.0
N A:LEU73 4.5 4.5 1.0
OE1 A:GLU80 4.5 4.5 1.0
N A:HIS71 4.6 4.0 1.0
CA A:GLN75 4.6 9.8 1.0
OH A:TYR82 4.6 9.8 1.0
CG A:GLU70 4.6 4.6 1.0
CA A:LEU73 4.7 5.2 1.0
HH A:TYR82 4.7 14.7 1.0
HG3 A:GLU70 4.7 5.5 1.0
C A:LEU73 4.7 6.2 1.0
HA A:ASP77 4.8 5.6 1.0
HB2 A:GLN75 4.8 17.0 1.0
HB3 A:ASP77 4.9 5.3 1.0

Reference:

T.Tamada, T.Kinoshita, K.Kurihara, M.Adachi, T.Ohhara, K.Imai, R.Kuroki, T.Tada. Combined High-Resolution Neutron and X-Ray Analysis of Inhibited Elastase Confirms the Active-Site Oxyanion Hole But Rules Against A Low-Barrier Hydrogen Bond J.Am.Chem.Soc. V. 131 11033 2009.
ISSN: ISSN 0002-7863
PubMed: 19603802
DOI: 10.1021/JA9028846
Page generated: Sat Jul 13 10:59:43 2024

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