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Calcium in PDB 3otj: A Crystal Structure of Trypsin Complexed with Bpti (Bovine Pancreatic Trypsin Inhibitor) By X-Ray/Neutron Joint Refinement

Enzymatic activity of A Crystal Structure of Trypsin Complexed with Bpti (Bovine Pancreatic Trypsin Inhibitor) By X-Ray/Neutron Joint Refinement

All present enzymatic activity of A Crystal Structure of Trypsin Complexed with Bpti (Bovine Pancreatic Trypsin Inhibitor) By X-Ray/Neutron Joint Refinement:
3.4.21.4;

Protein crystallography data

The structure of A Crystal Structure of Trypsin Complexed with Bpti (Bovine Pancreatic Trypsin Inhibitor) By X-Ray/Neutron Joint Refinement, PDB code: 3otj was solved by K.Kawamura, T.Yamada, K.Kurihara, T.Tamada, R.Kuroki, I.Tanaka, H.Takahashi, N.Niimura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.15
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 75.604, 85.361, 122.551, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 20.9

Calcium Binding Sites:

The binding sites of Calcium atom in the A Crystal Structure of Trypsin Complexed with Bpti (Bovine Pancreatic Trypsin Inhibitor) By X-Ray/Neutron Joint Refinement (pdb code 3otj). 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 A Crystal Structure of Trypsin Complexed with Bpti (Bovine Pancreatic Trypsin Inhibitor) By X-Ray/Neutron Joint Refinement, PDB code: 3otj:

Calcium binding site 1 out of 1 in 3otj

Go back to Calcium Binding Sites List in 3otj
Calcium binding site 1 out of 1 in the A Crystal Structure of Trypsin Complexed with Bpti (Bovine Pancreatic Trypsin Inhibitor) By X-Ray/Neutron Joint Refinement


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of A Crystal Structure of Trypsin Complexed with Bpti (Bovine Pancreatic Trypsin Inhibitor) By X-Ray/Neutron Joint Refinement within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Ca1000

b:20.0
occ:1.00
 O E:ASN72 2.4 22.4 1.0
OE2 E:GLU70 2.4 20.6 1.0
O E:DOD1029 2.4 24.5 1.0
OE2 E:GLU80 2.4 23.4 1.0
O E:DOD1030 2.5 23.8 1.0
O E:VAL75 2.5 29.5 1.0
D2 E:DOD1029 2.8 25.1 1.0
D2 E:DOD1030 3.1 24.1 1.0
D1 E:DOD1030 3.1 25.7 1.0
HA E:VAL76 3.2 31.9 1.0
D1 E:DOD1029 3.2 26.6 1.0
D E:GLU77 3.3 34.8 1.0
HG2 E:GLU80 3.3 23.4 1.0
HA E:ILE73 3.4 24.1 1.0
CD E:GLU70 3.4 21.3 1.0
CD E:GLU80 3.5 23.8 1.0
C E:VAL75 3.5 29.7 1.0
C E:ASN72 3.6 22.9 1.0
D E:VAL75 3.6 28.1 1.0
D E:ASP71 3.7 19.1 1.0
HG3 E:GLU77 3.7 35.7 1.0
CG E:GLU80 3.7 23.9 1.0
HG3 E:GLU80 3.8 23.8 1.0
OE1 E:GLU70 3.8 19.1 1.0
HA E:GLU70 3.9 18.6 1.0
HB2 E:GLU77 4.0 33.9 1.0
HB3 E:ASN72 4.0 23.7 1.0
N E:GLU77 4.0 32.6 1.0
CA E:VAL76 4.1 32.1 1.0
D E:ASN72 4.2 22.2 1.0
N E:VAL76 4.2 32.8 1.0
CA E:ILE73 4.3 23.9 1.0
N E:VAL75 4.3 26.2 1.0
N E:ILE73 4.4 21.4 1.0
OE1 E:GLU77 4.4 32.3 1.0
N E:ASN72 4.4 21.6 1.0
HB3 E:GLU70 4.5 20.1 1.0
CA E:ASN72 4.5 22.1 1.0
CA E:VAL75 4.5 28.2 1.0
CG E:GLU77 4.5 34.4 1.0
C E:VAL76 4.5 32.4 1.0
C E:ILE73 4.6 24.1 1.0
OE1 E:GLU80 4.6 25.0 1.0
N E:ASP71 4.6 19.0 1.0
O E:DOD1052 4.7 33.0 1.0
CB E:GLU77 4.7 34.0 1.0
CG E:GLU70 4.7 18.9 1.0
D2 E:DOD1023 4.7 17.5 1.0
D1 E:DOD1023 4.8 16.9 1.0
CB E:ASN72 4.8 23.2 1.0
CA E:GLU70 4.8 19.6 1.0
HB E:VAL75 4.9 29.4 1.0
CB E:GLU70 4.9 19.9 1.0
D2 E:DOD1085 4.9 36.3 1.0
N E:ASN74 4.9 29.5 1.0
HG22 E:VAL76 4.9 32.3 1.0
CD E:GLU77 4.9 35.7 1.0
D E:ASN74 4.9 28.0 1.0
O E:ILE73 5.0 22.9 1.0

Reference:

K.Kawamura, T.Yamada, K.Kurihara, T.Tamada, R.Kuroki, I.Tanaka, H.Takahashi, N.Niimura. X-Ray and Neutron Protein Crystallographic Analysis of the Trypsin-Bpti Complex. Acta Crystallogr.,Sect.D V. 67 140 2011.
ISSN: ISSN 0907-4449
PubMed: 21245536
DOI: 10.1107/S0907444910053382
Page generated: Tue Jul 8 15:10:59 2025

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