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Calcium in PDB 6eaw: Crystallographic Structure of the Cyclic Heptapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 21 21 21

Enzymatic activity of Crystallographic Structure of the Cyclic Heptapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 21 21 21

All present enzymatic activity of Crystallographic Structure of the Cyclic Heptapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 21 21 21:
3.4.21.4;

Protein crystallography data

The structure of Crystallographic Structure of the Cyclic Heptapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 21 21 21, PDB code: 6eaw was solved by J.C.Fernandes, N.F.Valadares, S.M.Freitas, J.A.R.G.Barbosa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.38 / 1.29
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 60.094, 61.494, 66.544, 90.00, 90.00, 90.00
R / Rfree (%) 14.3 / 15.5

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystallographic Structure of the Cyclic Heptapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 21 21 21 (pdb code 6eaw). 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 Crystallographic Structure of the Cyclic Heptapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 21 21 21, PDB code: 6eaw:

Calcium binding site 1 out of 1 in 6eaw

Go back to Calcium Binding Sites List in 6eaw
Calcium binding site 1 out of 1 in the Crystallographic Structure of the Cyclic Heptapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 21 21 21


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystallographic Structure of the Cyclic Heptapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 21 21 21 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca306

b:11.4
occ:1.00
 OE1 A:GLU70 2.1 11.5 1.0
O A:VAL75 2.2 11.4 1.0
O A:ASN72 2.2 12.2 1.0
OE2 A:GLU80 2.2 11.7 1.0
O A:HOH508 2.3 12.0 1.0
O A:HOH418 2.3 11.7 1.0
HG2 A:GLU80 3.2 15.6 1.0
CD A:GLU70 3.2 11.1 1.0
CD A:GLU80 3.2 13.1 1.0
HA A:VAL76 3.3 15.8 1.0
C A:VAL75 3.3 11.6 1.0
H A:GLU77 3.4 13.7 1.0
C A:ASN72 3.4 12.3 1.0
HA A:ILE73 3.4 14.2 1.0
H A:VAL75 3.5 15.5 1.0
HG3 A:GLU77 3.5 19.9 1.0
CG A:GLU80 3.5 13.0 1.0
HG3 A:GLU80 3.6 15.6 1.0
OE2 A:GLU70 3.6 11.4 1.0
H A:ASP71 3.7 14.3 1.0
HA A:GLU70 3.8 12.7 1.0
HB3 A:ASN72 3.9 15.6 1.0
N A:GLU77 4.0 11.4 1.0
CA A:VAL76 4.0 13.2 1.0
HB2 A:GLU77 4.1 18.1 1.0
H A:ASN72 4.1 15.6 1.0
N A:VAL76 4.1 13.4 1.0
CA A:ILE73 4.1 11.8 1.0
N A:VAL75 4.2 12.9 1.0
N A:ILE73 4.2 12.1 1.0
OE1 A:GLU77 4.2 14.8 1.0
N A:ASN72 4.3 13.0 1.0
O A:HOH427 4.3 13.6 1.0
CG A:GLU77 4.3 16.6 1.0
CA A:ASN72 4.3 13.3 1.0
HB3 A:GLU70 4.3 12.4 1.0
OE1 A:GLU80 4.4 13.9 1.0
CA A:VAL75 4.4 12.6 1.0
C A:ILE73 4.4 13.8 1.0
N A:ASP71 4.4 11.9 1.0
CG A:GLU70 4.5 10.4 1.0
C A:VAL76 4.5 13.0 1.0
HB A:VAL75 4.6 16.5 1.0
CB A:ASN72 4.6 13.0 1.0
CB A:GLU77 4.6 15.1 1.0
CA A:GLU70 4.6 10.6 1.0
O A:HOH673 4.6 19.6 1.0
CB A:GLU70 4.7 10.3 1.0
CD A:GLU77 4.7 16.1 1.0
N A:ASN74 4.7 12.7 1.0
O A:ILE73 4.8 14.2 1.0
H A:ASN74 4.8 15.2 1.0
HG22 A:VAL76 4.9 18.7 1.0
C A:ASP71 4.9 13.0 1.0
HG2 A:GLU70 4.9 12.5 1.0
HE1 A:PHE82 4.9 14.2 1.0
H A:VAL76 4.9 16.0 1.0
HZ A:PHE82 5.0 13.6 1.0
CA A:GLU77 5.0 12.2 1.0
CB A:GLU80 5.0 13.7 1.0

Reference:

J.F.Fenandes, N.F.Valadares, S.M.Freitas, J.A.R.G.Barbosa. Crystallographic Structure of the Cyclic Heptapeptide Derived From the Btci Inhibitor Bound to Beta-Trypsin in Space Group P 21 21 21 To Be Published.
Page generated: Wed Jul 9 13:37:13 2025

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