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Calcium in PDB 2xtt: Bovine Trypsin in Complex with Evolutionary Enhanced Schistocerca Gregaria Protease Inhibitor 1 (Sgpi-1-P02)

Enzymatic activity of Bovine Trypsin in Complex with Evolutionary Enhanced Schistocerca Gregaria Protease Inhibitor 1 (Sgpi-1-P02)

All present enzymatic activity of Bovine Trypsin in Complex with Evolutionary Enhanced Schistocerca Gregaria Protease Inhibitor 1 (Sgpi-1-P02):
3.4.21.4;

Protein crystallography data

The structure of Bovine Trypsin in Complex with Evolutionary Enhanced Schistocerca Gregaria Protease Inhibitor 1 (Sgpi-1-P02), PDB code: 2xtt was solved by W.Y.Wahlgren, G.Pal, J.Kardos, P.Porrogi, B.Szenthe, A.Patthy, L.Graf, G.Katona, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 0.93
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 36.910, 63.610, 43.870, 90.00, 93.85, 90.00
R / Rfree (%) n/a / 14

Calcium Binding Sites:

The binding sites of Calcium atom in the Bovine Trypsin in Complex with Evolutionary Enhanced Schistocerca Gregaria Protease Inhibitor 1 (Sgpi-1-P02) (pdb code 2xtt). 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 Bovine Trypsin in Complex with Evolutionary Enhanced Schistocerca Gregaria Protease Inhibitor 1 (Sgpi-1-P02), PDB code: 2xtt:

Calcium binding site 1 out of 1 in 2xtt

Go back to Calcium Binding Sites List in 2xtt
Calcium binding site 1 out of 1 in the Bovine Trypsin in Complex with Evolutionary Enhanced Schistocerca Gregaria Protease Inhibitor 1 (Sgpi-1-P02)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bovine Trypsin in Complex with Evolutionary Enhanced Schistocerca Gregaria Protease Inhibitor 1 (Sgpi-1-P02) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca301

b:6.7
occ:0.90
 OE1 B:GLU70 2.3 7.7 1.0
O B:VAL75 2.3 8.5 1.0
OE2 B:GLU80 2.3 6.8 1.0
O B:ASN72 2.3 8.3 1.0
O B:HOH413 2.4 6.8 1.0
O B:HOH574 2.4 11.3 1.0
HA B:VAL76 3.4 9.2 1.0
CD B:GLU70 3.4 6.7 1.0
CD B:GLU80 3.4 7.7 1.0
HG2 B:GLU80 3.4 13.1 1.0
C B:VAL75 3.4 7.8 1.0
H B:GLU77 3.4 8.5 1.0
C B:ASN72 3.5 8.5 1.0
HG3 B:GLU77 3.7 8.7 1.0
HA B:ILE73 3.7 18.4 1.0
H B:VAL75 3.7 12.1 1.0
HG3 B:GLU80 3.7 13.1 1.0
CG B:GLU80 3.8 10.9 1.0
H B:ASP71 3.8 6.6 1.0
OE2 B:GLU70 3.9 8.5 1.0
HA B:GLU70 3.9 6.3 1.0
HB3 B:ASN72 4.1 10.3 1.0
CA B:VAL76 4.2 7.6 1.0
N B:GLU77 4.2 7.1 1.0
N B:VAL76 4.2 8.1 1.0
N B:VAL75 4.2 10.1 1.0
HB2 B:GLU77 4.3 9.5 1.0
OE2 B:GLU77 4.3 7.8 1.0
H B:ASN72 4.3 7.5 1.0
CA B:ILE73 4.3 15.3 1.0
N B:ILE73 4.4 11.9 1.0
HB3 B:GLU70 4.4 6.8 1.0
N B:ASN72 4.4 6.2 1.0
CA B:ASN72 4.5 8.0 1.0
C B:ILE73 4.5 12.3 1.0
CA B:VAL75 4.5 8.8 1.0
CG B:GLU77 4.5 7.2 1.0
OE1 B:GLU80 4.5 9.3 1.0
OD1 B:ASN79 4.5 10.4 1.0
N B:ASP71 4.6 5.5 1.0
HB B:VAL75 4.6 11.4 1.0
CG B:GLU70 4.6 5.8 1.0
C B:VAL76 4.7 7.5 1.0
CA B:GLU70 4.7 5.3 1.0
O B:HOH666 4.7 22.1 1.0
CB B:ASN72 4.7 8.6 1.0
N B:ASN74 4.8 10.7 1.0
CB B:GLU70 4.8 5.7 1.0
CB B:GLU77 4.8 8.0 1.0
O B:ILE73 4.8 12.4 1.0
H B:ASN74 4.8 12.8 1.0
CD B:GLU77 4.9 8.0 1.0
HG23 B:VAL76 5.0 15.6 1.0
H B:VAL76 5.0 9.7 1.0

Reference:

W.Y.Wahlgren, G.Pal, J.Kardos, P.Porrogi, B.Szenthe, A.Patthy, L.Graf, G.Katona. The Catalytic Aspartate Is Protonated in the Michaelis Complex Formed Between Trypsin and An in Vitro Evolved Substrate-Like Inhibitor: A Refined Mechanism of Serine Protease Action. J.Biol.Chem. V. 286 3587 2011.
ISSN: ESSN 1083-351X
PubMed: 21097875
DOI: 10.1074/JBC.M110.161604
Page generated: Sat Dec 12 03:59:28 2020

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