Atomistry » Calcium » PDB 3uix-3v03 » 3uqo
Atomistry »
  Calcium »
    PDB 3uix-3v03 »
      3uqo »

Calcium in PDB 3uqo: Bovine Trypsin Variant X(TRIPLEPHE227) in Complex with Small Molecule Inhibitor

Enzymatic activity of Bovine Trypsin Variant X(TRIPLEPHE227) in Complex with Small Molecule Inhibitor

All present enzymatic activity of Bovine Trypsin Variant X(TRIPLEPHE227) in Complex with Small Molecule Inhibitor:
3.4.21.4;

Protein crystallography data

The structure of Bovine Trypsin Variant X(TRIPLEPHE227) in Complex with Small Molecule Inhibitor, PDB code: 3uqo was solved by A.Tziridis, P.Neumann, P.Kolenko, M.T.Stubbs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.80
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 54.692, 54.692, 112.953, 90.00, 90.00, 120.00
R / Rfree (%) 20 / 25.6

Calcium Binding Sites:

The binding sites of Calcium atom in the Bovine Trypsin Variant X(TRIPLEPHE227) in Complex with Small Molecule Inhibitor (pdb code 3uqo). 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 Variant X(TRIPLEPHE227) in Complex with Small Molecule Inhibitor, PDB code: 3uqo:

Calcium binding site 1 out of 1 in 3uqo

Go back to Calcium Binding Sites List in 3uqo
Calcium binding site 1 out of 1 in the Bovine Trypsin Variant X(TRIPLEPHE227) in Complex with Small Molecule Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Bovine Trypsin Variant X(TRIPLEPHE227) in Complex with Small Molecule Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca480

b:18.9
occ:1.00
O A:ASN72 2.3 15.8 1.0
OE1 A:GLU70 2.3 15.8 1.0
O A:VAL75 2.4 16.8 1.0
O A:HOH1013 2.4 12.1 1.0
OE2 A:GLU80 2.4 19.3 1.0
O A:HOH1009 2.5 15.8 1.0
CD A:GLU80 3.5 20.7 1.0
CD A:GLU70 3.5 18.1 1.0
C A:VAL75 3.5 19.4 1.0
C A:ASN72 3.5 14.9 1.0
CG A:GLU80 3.7 16.0 1.0
OE2 A:GLU70 3.9 15.0 1.0
N A:GLU77 4.1 20.4 1.0
CA A:ILE73 4.2 18.0 1.0
N A:VAL75 4.2 16.6 1.0
N A:VAL76 4.3 20.7 1.0
CA A:VAL76 4.3 23.6 1.0
N A:ILE73 4.3 14.8 1.0
OE1 A:GLU77 4.3 16.6 1.0
CG A:GLU77 4.3 16.8 1.0
CA A:VAL75 4.4 16.1 1.0
C A:ILE73 4.5 18.8 1.0
CA A:ASN72 4.5 17.8 1.0
N A:ASN72 4.5 17.6 1.0
CB A:GLU77 4.6 20.8 1.0
OE1 A:GLU80 4.6 20.4 1.0
O A:HOH1051 4.6 15.0 1.0
C A:VAL76 4.6 21.4 1.0
N A:ASP71 4.7 15.4 1.0
CG A:GLU70 4.7 16.2 1.0
CD A:GLU77 4.8 21.6 1.0
N A:ASN74 4.8 16.4 1.0
CA A:GLU70 4.8 15.1 1.0
CB A:ASN72 4.9 14.7 1.0
CB A:GLU70 4.9 21.4 1.0
O A:ILE73 4.9 17.5 1.0
O A:HOH1040 4.9 25.9 1.0
CA A:GLU77 4.9 18.4 1.0

Reference:

A.Tziridis, D.Rauh, P.Neumann, P.Kolenko, A.Menzel, U.Brauer, C.Ursel, P.Steinmetzer, J.Sturzebecher, A.Schweinitz, T.Steinmetzer, M.T.Stubbs. Correlating Structure and Ligand Affinity in Drug Discovery: A Cautionary Tale Involving Second Shell Residues. Biol.Chem. V. 395 891 2014.
ISSN: ISSN 1431-6730
PubMed: 25003390
DOI: 10.1515/HSZ-2014-0158
Page generated: Sat Dec 12 04:33:17 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy