Calcium in PDB 1ezu: Ecotin Y69F, D70P Bound to D102N Trypsin

All present enzymatic activity of Ecotin Y69F, D70P Bound to D102N Trypsin:
3.4.21.4;

The structure of Ecotin Y69F, D70P Bound to D102N Trypsin, PDB code: 1ezu was solved by S.A.Gillmor, T.Takeuchi, S.Q.Yang, C.S.Craik, R.J.Fletterick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.920, 82.749, 81.752, 90.00, 97.24, 90.00
R / Rfree (%)	21.8 / 26.5

The binding sites of Calcium atom in the Ecotin Y69F, D70P Bound to D102N Trypsin (pdb code 1ezu). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Ecotin Y69F, D70P Bound to D102N Trypsin, PDB code: 1ezu:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Ecotin Y69F, D70P Bound to D102N Trypsin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Ecotin Y69F, D70P Bound to D102N Trypsin within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca650 b:47.9 occ:1.00 O C:ASN472 2.4 41.9 1.0 OE2 C:GLU480 2.5 55.5 1.0 O C:VAL475 2.5 55.4 1.0 OE2 C:GLU477 2.8 88.2 1.0 OE1 C:GLU470 2.8 47.9 1.0 CD C:GLU480 3.3 56.3 1.0 OE1 C:GLU480 3.3 56.5 1.0 CD C:GLU477 3.4 89.3 1.0 C C:ASN472 3.5 44.7 1.0 C C:VAL475 3.6 54.6 1.0 CG C:GLU477 3.7 82.9 1.0 CD C:GLU470 3.8 44.0 1.0 N C:GLU477 3.9 68.8 1.0 N C:ASN472 3.9 39.9 1.0 CA C:ASN472 4.1 44.7 1.0 CA C:LEU476 4.1 64.3 1.0 CB C:ASN472 4.2 47.6 1.0 N C:LEU476 4.2 58.7 1.0 OE1 C:GLU477 4.4 95.9 1.0 CB C:GLU477 4.4 75.9 1.0 CG1 C:VAL475 4.4 56.9 1.0 N C:HIS471 4.4 38.9 1.0 OE2 C:GLU470 4.4 49.3 1.0 C C:LEU476 4.4 67.5 1.0 N C:ILE473 4.5 47.1 1.0 N C:VAL475 4.5 50.2 1.0 CA C:VAL475 4.6 53.2 1.0 CG C:GLU480 4.7 56.7 1.0 CA C:ILE473 4.7 49.7 1.0 CA C:GLU470 4.7 38.6 1.0 CG C:GLU470 4.7 42.8 1.0 CB C:GLU470 4.8 39.7 1.0 CA C:GLU477 4.8 71.8 1.0 C C:ILE473 4.8 48.8 1.0 O C:ILE473 5.0 47.3 1.0

Calcium binding site 2 out of 2 in the Ecotin Y69F, D70P Bound to D102N Trypsin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Ecotin Y69F, D70P Bound to D102N Trypsin within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca950 b:80.1 occ:1.00 O D:ASN772 2.4 56.2 1.0 O D:VAL775 2.7 69.5 1.0 OE2 D:GLU780 2.7 77.7 1.0 OE2 D:GLU777 2.9 99.8 1.0 OE1 D:GLU770 3.1 53.9 1.0 C D:VAL775 3.4 68.2 1.0 OE1 D:GLU780 3.4 77.2 1.0 C D:ASN772 3.5 55.0 1.0 CD D:GLU780 3.5 75.2 1.0 CG D:GLU777 3.5 99.8 1.0 CD D:GLU777 3.5 99.6 1.0 N D:ASN772 3.8 53.7 1.0 N D:GLU777 3.8 83.4 1.0 CG1 D:VAL775 3.8 71.2 1.0 N D:LEU776 4.0 72.3 1.0 CB D:ASN772 4.0 54.9 1.0 CA D:LEU776 4.0 73.7 1.0 CA D:ASN772 4.0 53.7 1.0 CD D:GLU770 4.2 54.1 1.0 CB D:GLU777 4.3 96.3 1.0 C D:LEU776 4.3 76.7 1.0 N D:VAL775 4.3 65.7 1.0 CA D:VAL775 4.3 66.6 1.0 N D:HIS771 4.4 52.2 1.0 N D:ILE773 4.6 56.6 1.0 OE1 D:GLU777 4.7 99.6 1.0 CA D:GLU777 4.7 92.8 1.0 CB D:VAL775 4.7 67.8 1.0 CA D:ILE773 4.9 58.6 1.0 CA D:GLU770 4.9 47.4 1.0 CG D:GLU780 4.9 71.9 1.0 C D:HIS771 4.9 54.8 1.0 CB D:GLU770 5.0 46.1 1.0 OE2 D:GLU770 5.0 59.2 1.0

S.A.Gillmor, T.Takeuchi, S.Q.Yang, C.S.Craik, R.J.Fletterick. Compromise and Accommodation in Ecotin, A Dimeric Macromolecular Inhibitor of Serine Proteases. J.Mol.Biol. V. 299 993 2000.
ISSN: ISSN 0022-2836
PubMed: 10843853
DOI: 10.1006/JMBI.2000.3812