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Calcium in PDB 1mcv: Crystal Structure Analysis of A Hybrid Squash Inhibitor in Complex with Porcine Pancreatic Elastase

Enzymatic activity of Crystal Structure Analysis of A Hybrid Squash Inhibitor in Complex with Porcine Pancreatic Elastase

All present enzymatic activity of Crystal Structure Analysis of A Hybrid Squash Inhibitor in Complex with Porcine Pancreatic Elastase:
3.4.21.36;

Protein crystallography data

The structure of Crystal Structure Analysis of A Hybrid Squash Inhibitor in Complex with Porcine Pancreatic Elastase, PDB code: 1mcv was solved by J.Ay, K.Hilpert, N.Krauss, J.Schneider-Mergener, W.Hoehne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.00 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.330, 56.440, 72.760, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 22.1

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure Analysis of A Hybrid Squash Inhibitor in Complex with Porcine Pancreatic Elastase (pdb code 1mcv). 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 Crystal Structure Analysis of A Hybrid Squash Inhibitor in Complex with Porcine Pancreatic Elastase, PDB code: 1mcv:

Calcium binding site 1 out of 1 in 1mcv

Go back to Calcium Binding Sites List in 1mcv
Calcium binding site 1 out of 1 in the Crystal Structure Analysis of A Hybrid Squash Inhibitor in Complex with Porcine Pancreatic Elastase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure Analysis of A Hybrid Squash Inhibitor in Complex with Porcine Pancreatic Elastase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1

b:13.4
occ:1.00
 O A:GLN75 2.2 20.3 1.0
OE2 A:GLU80 2.3 14.0 1.0
O A:ASN72 2.3 12.4 1.0
OE1 A:GLU70 2.3 11.8 1.0
OD1 A:ASP77 2.3 14.5 1.0
O A:HOH603 2.5 35.3 1.0
CD A:GLU70 3.0 11.0 1.0
OE2 A:GLU70 3.1 12.7 1.0
CD A:GLU80 3.3 13.7 1.0
CG A:ASP77 3.4 15.6 1.0
C A:ASN72 3.4 12.9 1.0
C A:GLN75 3.4 21.1 1.0
N A:ASP77 3.8 18.3 1.0
CG A:GLU80 3.8 13.3 1.0
N A:ASN72 4.0 11.7 1.0
CB A:ASP77 4.1 16.6 1.0
CA A:ASN72 4.2 12.4 1.0
N A:GLN75 4.2 20.9 1.0
CA A:ASN76 4.2 20.0 1.0
N A:ASN76 4.3 20.7 1.0
OD2 A:ASP77 4.4 15.3 1.0
C A:ASN76 4.4 19.2 1.0
CA A:GLN75 4.4 21.4 1.0
OE1 A:GLU80 4.4 14.3 1.0
N A:LEU73 4.4 13.4 1.0
CB A:ASN72 4.4 12.7 1.0
CG A:GLU70 4.5 10.6 1.0
CA A:ASP77 4.6 17.5 1.0
N A:HIS71 4.6 10.9 1.0
CA A:LEU73 4.6 14.8 1.0
C A:LEU73 4.7 16.0 1.0
OH A:TYR82 4.7 16.6 1.0
O A:HOH715 4.9 47.3 1.0
O A:LEU73 4.9 16.0 1.0
N A:ASN74 4.9 17.9 1.0

Reference:

J.Ay, K.Hilpert, N.Krauss, J.Schneider-Mergener, W.Hohne. Structure of A Hybrid Squash Inhibitor in Complex with Porcine Pancreatic Elastase at 1.8 A Resolution. Acta Crystallogr.,Sect.D V. 59 247 2003.
ISSN: ISSN 0907-4449
PubMed: 12554935
DOI: 10.1107/S0907444902020887
Page generated: Thu Jul 11 12:29:14 2024

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