Calcium in PDB 1zr0: Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin

All present enzymatic activity of Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin:
3.4.21.4;

The structure of Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin, PDB code: 1zr0 was solved by A.E.Schmidt, H.S.Chand, D.Cascio, W.Kisiel, S.P.Bajaj, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	74.107, 77.013, 125.424, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 29.5

The binding sites of Calcium atom in the Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin (pdb code 1zr0). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin, PDB code: 1zr0:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:28.8 occ:1.00 OE1 A:GLU70 2.3 27.4 1.0 O A:ASN72 2.3 33.8 1.0 OE2 A:GLU80 2.4 36.5 1.0 O A:VAL75 2.4 34.1 1.0 O A:HOH1047 2.5 29.5 1.0 O A:HOH1056 2.5 34.7 1.0 CD A:GLU70 3.3 32.9 1.0 CD A:GLU80 3.5 33.5 1.0 C A:ASN72 3.5 29.1 1.0 C A:VAL75 3.6 35.4 1.0 OE2 A:GLU70 3.7 28.0 1.0 CG A:GLU80 3.9 35.9 1.0 O A:HOH1233 4.2 41.5 1.0 CA A:VAL76 4.3 36.9 1.0 N A:ASN72 4.3 32.1 1.0 N A:GLU77 4.3 40.5 1.0 CA A:ILE73 4.3 28.9 1.0 CA A:ASN72 4.4 29.6 1.0 N A:ILE73 4.4 27.4 1.0 N A:VAL76 4.4 36.2 1.0 N A:VAL75 4.5 33.3 1.0 OE1 A:GLU80 4.6 36.7 1.0 CA A:VAL75 4.6 36.2 1.0 CB A:ASN72 4.7 30.9 1.0 N A:ASP71 4.7 30.5 1.0 CG A:GLU70 4.7 28.4 1.0 C A:ILE73 4.7 28.6 1.0 O A:HOH1002 4.8 34.0 1.0 C A:VAL76 4.9 39.1 1.0 CA A:GLU70 4.9 28.7 1.0 CB A:GLU70 4.9 28.6 1.0 CB A:GLU77 5.0 44.0 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Kunitz Domain 1 of Tissue Factor Pathway Inhibitor-2 with Bovine Trypsin within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca1002 b:38.7 occ:1.00 O C:ASN72 1.9 36.9 1.0 OE2 C:GLU80 2.3 44.5 1.0 OE1 C:GLU70 2.3 33.2 1.0 O C:HOH1105 2.3 42.8 1.0 O C:VAL75 2.4 43.0 1.0 O C:HOH1032 2.5 33.5 1.0 C C:ASN72 3.3 41.2 1.0 CD C:GLU70 3.3 38.0 1.0 CD C:GLU80 3.4 43.0 1.0 C C:VAL75 3.6 45.4 1.0 OE2 C:GLU70 3.7 31.7 1.0 CG C:GLU80 3.8 39.7 1.0 N C:ILE73 4.2 42.9 1.0 CA C:ILE73 4.2 41.5 1.0 N C:GLU77 4.3 50.6 1.0 CA C:ASN72 4.3 42.8 1.0 CA C:VAL76 4.4 45.9 1.0 N C:VAL75 4.4 46.1 1.0 N C:VAL76 4.4 45.0 1.0 N C:ASN72 4.5 42.3 1.0 OE1 C:GLU80 4.5 42.9 1.0 O C:HOH1111 4.5 42.7 1.0 CA C:VAL75 4.6 45.9 1.0 CG C:GLU70 4.6 33.6 1.0 CG2 C:VAL75 4.6 49.0 1.0 C C:ILE73 4.7 41.8 1.0 CB C:ASN72 4.7 43.7 1.0 CB C:GLU77 4.8 54.1 1.0 CB C:GLU70 4.9 36.8 1.0 CA C:GLU70 4.9 37.1 1.0 C C:VAL76 4.9 48.8 1.0 O C:HOH1049 4.9 51.6 1.0 N C:ASP71 4.9 39.4 1.0 N C:ASN74 5.0 43.8 1.0

A.E.Schmidt, H.S.Chand, D.Cascio, W.Kisiel, S.P.Bajaj. Crystal Structure of Kunitz Domain 1 (KD1) of Tissue Factor Pathway Inhibitor-2 in Complex with Trypsin. Implications For KD1 Specificity of Inhibition J.Biol.Chem. V. 280 27832 2005.
ISSN: ISSN 0021-9258
PubMed: 15932872
DOI: 10.1074/JBC.M504105200