Calcium in PDB 1an1: Leech-Derived Tryptase Inhibitor/Trypsin Complex

All present enzymatic activity of Leech-Derived Tryptase Inhibitor/Trypsin Complex:
3.4.21.4;

The structure of Leech-Derived Tryptase Inhibitor/Trypsin Complex, PDB code: 1an1 was solved by J.P.Priestle, S.Di Marco, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.03
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.700, 63.700, 130.860, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 22.8

The binding sites of Calcium atom in the Leech-Derived Tryptase Inhibitor/Trypsin Complex (pdb code 1an1). 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 Leech-Derived Tryptase Inhibitor/Trypsin Complex, PDB code: 1an1:

Calcium binding site 1 out of 1 in the Leech-Derived Tryptase Inhibitor/Trypsin Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Leech-Derived Tryptase Inhibitor/Trypsin Complex within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca300 b:29.8 occ:1.00 O E:VAL75 2.2 24.9 1.0 O E:HOH355 2.3 36.7 1.0 O E:ASN72 2.3 19.5 1.0 OE1 E:GLU70 2.4 28.0 1.0 OE2 E:GLU80 2.4 21.6 1.0 OE1 E:GLU77 2.5 27.2 1.0 C E:VAL75 3.4 24.9 1.0 CD E:GLU77 3.4 41.3 1.0 CD E:GLU80 3.5 22.4 1.0 C E:ASN72 3.5 19.7 1.0 CD E:GLU70 3.5 27.4 1.0 CG E:GLU77 3.6 38.6 1.0 CG E:GLU80 3.9 20.1 1.0 N E:GLU77 4.0 28.6 1.0 OE2 E:GLU70 4.0 27.9 1.0 CA E:LEU76 4.1 26.1 1.0 N E:LEU76 4.1 24.3 1.0 N E:VAL75 4.3 23.2 1.0 N E:ASN72 4.3 15.2 1.0 CA E:ILE73 4.3 20.0 1.0 N E:ILE73 4.4 18.4 1.0 CB E:GLU77 4.4 31.8 1.0 CA E:VAL75 4.4 21.6 1.0 CA E:ASN72 4.4 17.5 1.0 C E:LEU76 4.4 27.8 1.0 OE2 E:GLU77 4.5 44.4 1.0 O E:HOH403 4.6 55.4 1.0 OE1 E:GLU80 4.6 23.7 1.0 C E:ILE73 4.6 20.8 1.0 N E:HIS71 4.6 17.9 1.0 CB E:ASN72 4.7 15.3 1.0 CG E:GLU70 4.7 26.5 1.0 CA E:GLU70 4.7 18.5 1.0 OD1 E:ASN79 4.8 56.9 1.0 CB E:GLU70 4.8 20.1 1.0 CA E:GLU77 4.9 31.7 1.0 O E:ILE73 4.9 20.3 1.0 N E:ASP74 5.0 21.6 1.0

S.Di Marco, J.P.Priestle. Structure of the Complex of Leech-Derived Tryptase Inhibitor (Ldti) with Trypsin and Modeling of the Ldti-Tryptase System. Structure V. 5 1465 1997.
ISSN: ISSN 0969-2126
PubMed: 9384562
DOI: 10.1016/S0969-2126(97)00296-7