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Calcium in PDB 1v2k: Factor Xa Specific Inhibitor in Complex with Bovine Trypsin Variant X(Triple.Glu)Bt.D2

Enzymatic activity of Factor Xa Specific Inhibitor in Complex with Bovine Trypsin Variant X(Triple.Glu)Bt.D2

All present enzymatic activity of Factor Xa Specific Inhibitor in Complex with Bovine Trypsin Variant X(Triple.Glu)Bt.D2:
3.4.21.4;

Protein crystallography data

The structure of Factor Xa Specific Inhibitor in Complex with Bovine Trypsin Variant X(Triple.Glu)Bt.D2, PDB code: 1v2k was solved by D.Rauh, G.Klebe, M.T.Stubbs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.00
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 54.750, 54.750, 144.070, 90.00, 90.00, 120.00
R / Rfree (%) 19.2 / 22.3

Other elements in 1v2k:

The structure of Factor Xa Specific Inhibitor in Complex with Bovine Trypsin Variant X(Triple.Glu)Bt.D2 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Factor Xa Specific Inhibitor in Complex with Bovine Trypsin Variant X(Triple.Glu)Bt.D2 (pdb code 1v2k). 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 Factor Xa Specific Inhibitor in Complex with Bovine Trypsin Variant X(Triple.Glu)Bt.D2, PDB code: 1v2k:

Calcium binding site 1 out of 1 in 1v2k

Go back to Calcium Binding Sites List in 1v2k
Calcium binding site 1 out of 1 in the Factor Xa Specific Inhibitor in Complex with Bovine Trypsin Variant X(Triple.Glu)Bt.D2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Factor Xa Specific Inhibitor in Complex with Bovine Trypsin Variant X(Triple.Glu)Bt.D2 within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Ca480

b:24.2
occ:1.00
 OE1 T:GLU70 2.4 19.3 1.0
O T:VAL75 2.5 26.6 1.0
OE2 T:GLU80 2.5 22.2 1.0
O T:ASN72 2.6 19.9 1.0
O T:HOH610 2.6 20.4 1.0
O T:HOH614 2.7 23.2 1.0
CD T:GLU80 3.5 25.9 1.0
C T:VAL75 3.5 26.1 1.0
CD T:GLU70 3.5 21.5 1.0
CG T:GLU80 3.6 25.3 1.0
C T:ASN72 3.7 19.6 1.0
OE2 T:GLU70 3.8 24.7 1.0
CA T:VAL76 4.0 26.9 1.0
N T:GLU77 4.1 29.6 1.0
N T:VAL76 4.1 26.8 1.0
N T:VAL75 4.3 25.1 1.0
OE1 T:GLU77 4.3 34.1 1.0
CA T:ILE73 4.3 22.3 1.0
N T:ASN72 4.4 21.2 1.0
N T:ILE73 4.4 20.9 1.0
CG T:GLU77 4.5 33.3 1.0
CA T:VAL75 4.5 24.0 1.0
O T:HOH634 4.5 25.4 1.0
C T:VAL76 4.5 29.2 1.0
N T:ASP71 4.5 22.6 1.0
C T:ILE73 4.6 22.5 1.0
CA T:ASN72 4.6 21.4 1.0
OE1 T:GLU80 4.6 25.2 1.0
CG T:GLU70 4.7 20.8 1.0
CD T:GLU77 4.8 34.5 1.0
CA T:GLU70 4.8 21.1 1.0
CB T:GLU77 4.8 31.9 1.0
N T:ASN74 4.9 22.4 1.0
O T:HOH659 4.9 29.9 1.0
CB T:ASN72 4.9 21.1 1.0
CB T:GLU70 4.9 20.7 1.0

Reference:

D.Rauh, G.Klebe, M.T.Stubbs. Understanding Protein-Ligand Interactions: the Price of Protein Flexibility J.Mol.Biol. V. 335 1325 2004.
ISSN: ISSN 0022-2836
PubMed: 14729347
DOI: 10.1016/J.JMB.2003.11.041
Page generated: Thu Jul 11 23:50:53 2024

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