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Calcium in PDB 5aqe: Cooperative Bio-Metallic Selectivity in A Tailored Protease Enables Creation of A C-C Cross-Coupling Heckase

Enzymatic activity of Cooperative Bio-Metallic Selectivity in A Tailored Protease Enables Creation of A C-C Cross-Coupling Heckase

All present enzymatic activity of Cooperative Bio-Metallic Selectivity in A Tailored Protease Enables Creation of A C-C Cross-Coupling Heckase:
3.4.21.62;

Protein crystallography data

The structure of Cooperative Bio-Metallic Selectivity in A Tailored Protease Enables Creation of A C-C Cross-Coupling Heckase, PDB code: 5aqe was solved by M.Sharma, A.Diaz-Rodriguez, W.A.Offen, M.E.Palm-Espling, A.Pordea, M.R.Wormald, M.Mcdonough, G.J.Davies, B.G.Davis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.34 / 1.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.648, 61.246, 74.615, 90.00, 90.00, 90.00
R / Rfree (%) 7.64 / 8.77

Other elements in 5aqe:

The structure of Cooperative Bio-Metallic Selectivity in A Tailored Protease Enables Creation of A C-C Cross-Coupling Heckase also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Cooperative Bio-Metallic Selectivity in A Tailored Protease Enables Creation of A C-C Cross-Coupling Heckase (pdb code 5aqe). 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 Cooperative Bio-Metallic Selectivity in A Tailored Protease Enables Creation of A C-C Cross-Coupling Heckase, PDB code: 5aqe:

Calcium binding site 1 out of 1 in 5aqe

Go back to Calcium Binding Sites List in 5aqe
Calcium binding site 1 out of 1 in the Cooperative Bio-Metallic Selectivity in A Tailored Protease Enables Creation of A C-C Cross-Coupling Heckase


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Cooperative Bio-Metallic Selectivity in A Tailored Protease Enables Creation of A C-C Cross-Coupling Heckase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1278

b:2.8
occ:1.00
 O A:LEU75 2.3 3.1 1.0
O A:ILE79 2.3 3.2 1.0
O A:VAL81 2.4 3.2 1.0
OE1 A:GLN2 2.4 3.3 1.0
OD1 A:ASN77 2.4 2.9 1.0
OD1 A:ASP41 2.4 3.2 1.0
OD2 A:ASP41 2.5 3.2 1.0
CG A:ASP41 2.8 2.7 1.0
CG A:ASN77 3.4 2.8 1.0
CD A:GLN2 3.4 3.4 1.0
C A:LEU75 3.5 2.7 1.0
C A:VAL81 3.5 2.9 1.0
C A:ILE79 3.5 3.2 1.0
N A:VAL81 3.7 3.3 1.0
ND2 A:ASN77 3.9 3.2 1.0
CG A:GLN2 3.9 3.8 1.0
N A:ASN77 4.0 2.9 1.0
C A:GLY80 4.1 3.3 1.0
CA A:VAL81 4.2 3.4 1.0
CA A:GLY80 4.3 3.4 1.0
N A:LEU75 4.3 2.6 1.0
CB A:ASP41 4.3 2.8 1.0
N A:ILE79 4.3 3.3 1.0
CA A:LEU75 4.4 2.7 1.0
N A:GLY80 4.4 3.5 1.0
CG1 A:ILE79 4.4 5.1 1.0
N A:ASN76 4.5 2.7 1.0
CA A:ILE79 4.5 3.6 1.0
CB A:GLN2 4.5 4.1 1.0
NE2 A:GLN2 4.6 4.2 1.0
N A:LEU82 4.6 3.2 1.0
CA A:ASN76 4.6 3.1 1.0
CB A:ASN77 4.6 3.0 1.0
CA A:ASN77 4.6 3.1 1.0
C A:ASN77 4.7 3.1 1.0
O A:ASN77 4.7 4.1 1.0
CB A:LEU75 4.7 2.8 1.0
C A:ASN76 4.8 3.0 1.0
CA A:LEU82 4.8 3.3 1.0
C A:ALA74 4.8 2.5 1.0
O A:GLY80 4.8 4.2 1.0

Reference:

M.Sharma, A.Diaz-Rodriguez, W.A.Offen, A.Pordea, M.R.Wormald, M.Mcdonough, G.J.Davies, B.G.Davis. Bisubstrate Localisation By A Tailored Serine Protease Allows Creation of A Heck-Ase To Be Published.
Page generated: Wed Jul 9 04:14:37 2025

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