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Calcium in PDB 9bos: Human Mesotrypsin (PRSS3) Unliganded and in An Active (E) Conformation

Enzymatic activity of Human Mesotrypsin (PRSS3) Unliganded and in An Active (E) Conformation

All present enzymatic activity of Human Mesotrypsin (PRSS3) Unliganded and in An Active (E) Conformation:
3.4.21.4;

Protein crystallography data

The structure of Human Mesotrypsin (PRSS3) Unliganded and in An Active (E) Conformation, PDB code: 9bos was solved by M.Coban, L.M.F.Vargas, B.Sankaran, E.S.Radisky, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.94 / 1.70
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 55.849, 55.849, 142.358, 90, 90, 90
R / Rfree (%) 24 / 26.2

Other elements in 9bos:

The structure of Human Mesotrypsin (PRSS3) Unliganded and in An Active (E) Conformation also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Human Mesotrypsin (PRSS3) Unliganded and in An Active (E) Conformation (pdb code 9bos). 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 (PRSS3) Unliganded and in An Active (E) Conformation, PDB code: 9bos:

Calcium binding site 1 out of 1 in 9bos

Go back to Calcium Binding Sites List in 9bos
Calcium binding site 1 out of 1 in the Human Mesotrypsin (PRSS3) Unliganded and in An Active (E) Conformation


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Human Mesotrypsin (PRSS3) Unliganded and in An Active (E) Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca301

b:44.5
occ:0.56
 OE1 A:GLU70 2.1 68.8 1.0
O A:HOH443 2.3 62.7 1.0
O A:ASN72 2.3 59.0 1.0
O A:HOH402 2.4 55.5 1.0
OE2 A:GLU80 2.5 65.4 1.0
O A:VAL75 2.5 69.6 1.0
CD A:GLU70 2.9 67.9 1.0
OE2 A:GLU70 3.1 69.8 1.0
C A:ASN72 3.4 56.8 1.0
HA A:ILE73 3.4 69.2 1.0
HA A:LEU76 3.4 87.5 1.0
HG2 A:GLU80 3.4 74.2 1.0
CD A:GLU80 3.5 65.0 1.0
C A:VAL75 3.6 71.8 1.0
H A:VAL75 3.6 78.5 1.0
H A:GLU77 3.7 83.9 1.0
H A:HIS71 3.8 73.1 1.0
HG3 A:GLU77 3.8 80.7 1.0
CG A:GLU80 3.8 61.8 1.0
HG3 A:GLU80 3.8 74.2 1.0
HA A:GLU70 4.0 73.7 1.0
H A:ASN72 4.1 63.3 1.0
CA A:ILE73 4.1 57.7 1.0
CA A:LEU76 4.1 72.9 1.0
HB3 A:ASN72 4.1 68.2 1.0
N A:GLU77 4.2 69.9 1.0
N A:ILE73 4.2 57.4 1.0
OE1 A:GLU77 4.2 61.9 1.0
N A:LEU76 4.2 73.6 1.0
N A:ASN72 4.3 52.8 1.0
N A:VAL75 4.3 65.5 1.0
CA A:ASN72 4.3 54.6 1.0
HB2 A:GLU77 4.4 81.2 1.0
CG A:GLU70 4.4 64.9 1.0
O A:HOH481 4.4 47.4 1.0
C A:ILE73 4.4 63.5 1.0
C A:LEU76 4.5 71.1 1.0
HD23 A:LEU76 4.5 88.9 1.0
N A:HIS71 4.5 61.0 1.0
CG A:GLU77 4.5 67.2 1.0
CA A:VAL75 4.6 73.9 1.0
HB3 A:GLU70 4.6 72.2 1.0
OE1 A:GLU80 4.7 66.1 1.0
H A:LYS74 4.7 73.6 1.0
HG2 A:GLU70 4.7 77.8 1.0
CB A:ASN72 4.7 56.9 1.0
N A:LYS74 4.7 61.4 1.0
CA A:GLU70 4.8 61.5 1.0
CD A:GLU77 4.8 64.2 1.0
O A:ILE73 4.8 64.9 1.0
CB A:GLU70 4.8 60.2 1.0
CB A:GLU77 4.9 67.7 1.0
HG3 A:GLU70 5.0 77.8 1.0

Reference:

M.Coban, M.Gokara, L.M.F.Vargas, S.Tanzer, S.Zhou, A.Hockla, B.Sankaran, T.R.Caulfield, E.S.Radisky. Discovery of An Autoinhibited Conformation in Mesotrypsin Reveals A New Strategy For Selective Serine Protease Inhibition. Sci Adv 2025.
ISSN: ESSN 2375-2548
DOI: 10.1126/SCIADV.ADU9129
Page generated: Thu Jul 10 09:02:24 2025

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