Calcium in PDB 4u32: Human Mesotrypsin Complexed with Hai-2 Kunitz Domain 1

All present enzymatic activity of Human Mesotrypsin Complexed with Hai-2 Kunitz Domain 1:
3.4.21.4;

The structure of Human Mesotrypsin Complexed with Hai-2 Kunitz Domain 1, PDB code: 4u32 was solved by R.Wang, A.S.Soares, E.S.Radisky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.00 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.194, 70.190, 123.033, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 21.3

The binding sites of Calcium atom in the Human Mesotrypsin Complexed with Hai-2 Kunitz Domain 1 (pdb code 4u32). 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 Human Mesotrypsin Complexed with Hai-2 Kunitz Domain 1, PDB code: 4u32:

Calcium binding site 1 out of 1 in the Human Mesotrypsin Complexed with Hai-2 Kunitz Domain 1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Mesotrypsin Complexed with Hai-2 Kunitz Domain 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:13.8 occ:1.00 OE2 A:GLU70 2.1 19.9 1.0 O A:VAL75 2.2 14.1 1.0 O A:ASN72 2.3 13.5 1.0 OE2 A:GLU80 2.4 11.7 1.0 OE2 A:GLU77 2.5 12.1 1.0 CD A:GLU70 3.2 16.9 1.0 C A:VAL75 3.4 17.0 1.0 CD A:GLU77 3.4 13.0 1.0 C A:ASN72 3.5 11.7 1.0 CD A:GLU80 3.5 10.7 1.0 OE1 A:GLU70 3.7 19.1 1.0 CG A:GLU77 3.7 16.3 1.0 CG A:GLU80 3.9 10.6 1.0 N A:GLU77 4.1 15.6 1.0 N A:ASN72 4.1 10.1 1.0 CA A:LEU76 4.1 15.1 1.0 N A:LEU76 4.2 15.6 1.0 N A:VAL75 4.2 16.4 1.0 CA A:ASN72 4.3 10.9 1.0 CB A:ASN72 4.4 12.4 1.0 CA A:VAL75 4.4 17.5 1.0 N A:ILE73 4.5 10.8 1.0 CG A:GLU70 4.5 14.9 1.0 CA A:ILE73 4.6 12.9 1.0 CA A:GLU70 4.6 10.2 1.0 OE1 A:GLU77 4.6 14.8 1.0 CB A:GLU70 4.6 11.4 1.0 OE1 A:GLU80 4.6 11.5 1.0 C A:LEU76 4.6 18.2 1.0 CB A:GLU77 4.6 15.8 1.0 N A:HIS71 4.7 8.2 1.0 C A:ILE73 4.7 14.2 1.0 O A:HOH507 4.7 17.6 1.0 CG1 A:VAL75 4.8 24.3 1.0 N A:LYS74 4.9 14.7 1.0 CD2 A:LEU76 4.9 14.5 1.0

D.Pendlebury, R.Wang, R.D.Henin, A.Hockla, A.S.Soares, B.J.Madden, M.D.Kazanov, E.S.Radisky. Sequence and Conformational Specificity in Substrate Recognition: Several Human Kunitz Protease Inhibitor Domains Are Specific Substrates of Mesotrypsin. J.Biol.Chem. 2014.
ISSN: ESSN 1083-351X
PubMed: 25301953
DOI: 10.1074/JBC.M114.609560