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Calcium in PDB 3p95: Human Mesotrypsin Complexed with Bovine Pancreatic Trypsin Inhibitor Variant (Bpti-K15R/R17D)

Enzymatic activity of Human Mesotrypsin Complexed with Bovine Pancreatic Trypsin Inhibitor Variant (Bpti-K15R/R17D)

All present enzymatic activity of Human Mesotrypsin Complexed with Bovine Pancreatic Trypsin Inhibitor Variant (Bpti-K15R/R17D):
3.4.21.4;

Protein crystallography data

The structure of Human Mesotrypsin Complexed with Bovine Pancreatic Trypsin Inhibitor Variant (Bpti-K15R/R17D), PDB code: 3p95 was solved by M.A.Salameh, 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) 33.82 / 1.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 43.915, 39.095, 68.460, 90.00, 100.13, 90.00
R / Rfree (%) 11.1 / 13.2

Calcium Binding Sites:

The binding sites of Calcium atom in the Human Mesotrypsin Complexed with Bovine Pancreatic Trypsin Inhibitor Variant (Bpti-K15R/R17D) (pdb code 3p95). 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 Bovine Pancreatic Trypsin Inhibitor Variant (Bpti-K15R/R17D), PDB code: 3p95:

Calcium binding site 1 out of 1 in 3p95

Go back to Calcium Binding Sites List in 3p95
Calcium binding site 1 out of 1 in the Human Mesotrypsin Complexed with Bovine Pancreatic Trypsin Inhibitor Variant (Bpti-K15R/R17D)


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 Bovine Pancreatic Trypsin Inhibitor Variant (Bpti-K15R/R17D) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1

b:15.6
occ:1.00
 O A:ASN72 2.3 15.3 1.0
OE1 A:GLU70 2.3 14.4 1.0
O A:VAL75 2.3 17.7 1.0
OE2 A:GLU80 2.3 15.8 1.0
O A:HOH308 2.4 17.6 1.0
OE1 A:GLU77 2.4 20.0 1.0
HG3 A:GLU77 3.3 28.1 1.0
CD A:GLU77 3.3 21.9 1.0
CD A:GLU70 3.4 14.2 1.0
HG2 A:GLU80 3.4 21.1 1.0
CD A:GLU80 3.4 16.9 1.0
HA A:LEU76 3.4 27.8 1.0
C A:VAL75 3.5 19.2 1.0
C A:ASN72 3.5 14.4 1.0
HA A:ILE73 3.6 18.9 1.0
H A:GLU77 3.6 24.9 1.0
H A:VAL75 3.7 23.0 1.0
OE2 A:GLU70 3.7 15.2 1.0
HG3 A:GLU80 3.8 21.1 1.0
CG A:GLU80 3.8 17.6 1.0
CG A:GLU77 3.8 23.4 1.0
H A:HIS71 3.8 15.7 1.0
H A:ASN72 3.9 17.5 1.0
HB3 A:ASN72 4.0 19.4 1.0
HA A:GLU70 4.0 14.1 1.0
HB2 A:GLU77 4.1 27.2 1.0
N A:GLU77 4.1 20.7 1.0
CA A:LEU76 4.2 23.1 1.0
HD23 A:LEU76 4.2 43.7 1.0
N A:LEU76 4.2 20.7 1.0
N A:VAL75 4.2 19.2 1.0
CA A:ILE73 4.2 15.8 1.0
OE2 A:GLU77 4.3 22.1 1.0
N A:ASN72 4.3 14.6 1.0
N A:ILE73 4.3 14.5 1.0
CA A:ASN72 4.4 14.7 1.0
O A:HOH368 4.4 26.2 1.0
CB A:GLU77 4.4 22.6 1.0
CA A:VAL75 4.4 21.6 1.0
C A:ILE73 4.5 16.4 1.0
C A:LEU76 4.5 22.8 1.0
OE1 A:GLU80 4.5 17.3 1.0
HB3 A:GLU70 4.6 15.0 1.0
HB A:VAL75 4.6 32.6 1.0
HG2 A:GLU77 4.6 28.1 1.0
N A:HIS71 4.6 13.1 1.0
CG A:GLU70 4.6 13.0 1.0
CB A:ASN72 4.7 16.2 1.0
O A:HOH388 4.8 32.0 1.0
CA A:GLU70 4.8 11.7 1.0
N A:LYS74 4.8 17.5 1.0
O A:ILE73 4.9 16.4 1.0
CB A:GLU70 4.9 12.5 1.0
H A:LYS74 4.9 21.0 1.0
CA A:GLU77 4.9 21.4 1.0

Reference:

M.A.Salameh, A.S.Soares, A.Hockla, D.C.Radisky, E.S.Radisky. The P2' Residue Is A Key Determinant of Mesotrypsin Specificity: Engineering A High-Affinity Inhibitor with Anticancer Activity. Biochem.J. V. 440 95 2011.
ISSN: ISSN 0264-6021
PubMed: 21806544
DOI: 10.1042/BJ20110788
Page generated: Tue Jul 8 15:24:44 2025

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