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Sodium in PDB 8bk5: A Structure of the Truncated Lpmip with Bound Inhibitor JK095.

Enzymatic activity of A Structure of the Truncated Lpmip with Bound Inhibitor JK095.

All present enzymatic activity of A Structure of the Truncated Lpmip with Bound Inhibitor JK095.:
5.2.1.8;

Protein crystallography data

The structure of A Structure of the Truncated Lpmip with Bound Inhibitor JK095., PDB code: 8bk5 was solved by J.J.Whittaker, A.Guskov, B.Goretzki, U.A.Hellmich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.37 / 1.44
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 53.54, 53.54, 77.36, 90, 90, 120
R / Rfree (%) 18.4 / 22.3

Other elements in 8bk5:

The structure of A Structure of the Truncated Lpmip with Bound Inhibitor JK095. also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the A Structure of the Truncated Lpmip with Bound Inhibitor JK095. (pdb code 8bk5). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the A Structure of the Truncated Lpmip with Bound Inhibitor JK095., PDB code: 8bk5:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in 8bk5

Go back to Sodium Binding Sites List in 8bk5
Sodium binding site 1 out of 3 in the A Structure of the Truncated Lpmip with Bound Inhibitor JK095.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of A Structure of the Truncated Lpmip with Bound Inhibitor JK095. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na202

b:33.3
occ:1.00
O A:HOH338 2.8 24.6 1.0
OD1 A:ASN7 2.8 22.5 1.0
O A:HOH387 2.9 31.2 1.0
O A:HOH315 3.0 33.0 1.0
O A:HOH317 3.6 24.8 1.0
CD A:LYS10 3.6 30.6 1.0
CA A:ASN7 3.8 21.2 1.0
NZ A:LYS10 3.8 39.2 1.0
CG A:ASN7 3.9 21.4 1.0
CB A:LYS10 3.9 22.9 1.0
O A:GLU6 3.9 23.2 1.0
O A:HOH371 4.0 25.8 1.0
N A:ASN7 4.0 23.8 1.0
C A:GLU6 4.1 24.7 1.0
CE A:LYS10 4.1 35.6 1.0
CG A:LYS10 4.3 26.1 1.0
CB A:ASN7 4.4 20.6 1.0
CB A:GLU6 4.6 27.4 1.0
O A:HOH351 4.6 25.3 1.0
OE1 A:GLU121 4.8 21.8 1.0
C A:ASN7 4.9 20.8 1.0
CA A:GLU6 5.0 26.5 1.0

Sodium binding site 2 out of 3 in 8bk5

Go back to Sodium Binding Sites List in 8bk5
Sodium binding site 2 out of 3 in the A Structure of the Truncated Lpmip with Bound Inhibitor JK095.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of A Structure of the Truncated Lpmip with Bound Inhibitor JK095. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na203

b:27.1
occ:1.00
O A:GLY95 2.7 21.4 1.0
O A:HOH384 2.8 39.0 1.0
OG1 A:THR97 2.8 18.9 1.0
ND2 A:ASN37 3.0 34.0 1.0
N A:THR97 3.4 15.2 1.0
C A:SER96 3.6 16.4 1.0
CB A:ASN37 3.6 25.8 1.0
CB A:THR97 3.6 16.6 1.0
CD2 A:HIS128 3.7 19.9 1.0
NE2 A:HIS128 3.8 20.6 1.0
C A:GLY95 3.8 18.2 1.0
CG A:ASN37 3.8 31.8 1.0
CA A:SER96 4.0 17.4 1.0
O A:HOH347 4.1 40.9 1.0
CA A:THR97 4.1 15.1 1.0
O A:SER96 4.1 16.6 1.0
O A:ASN37 4.1 21.9 1.0
O A:HOH336 4.3 30.3 1.0
N A:SER96 4.3 17.9 1.0
CG A:HIS128 4.4 19.0 1.0
CE1 A:HIS128 4.5 20.1 1.0
O A:HOH389 4.5 45.6 1.0
C A:ASN37 4.6 21.8 1.0
O A:HOH323 4.7 24.0 1.0
CA A:ASN37 4.7 21.8 1.0
ND1 A:HIS128 4.8 20.4 1.0
CA A:GLY95 4.9 18.1 1.0

Sodium binding site 3 out of 3 in 8bk5

Go back to Sodium Binding Sites List in 8bk5
Sodium binding site 3 out of 3 in the A Structure of the Truncated Lpmip with Bound Inhibitor JK095.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of A Structure of the Truncated Lpmip with Bound Inhibitor JK095. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na204

b:30.0
occ:1.00
O A:HOH355 3.7 32.8 1.0
N A:LYS69 3.7 21.9 1.0
N A:GLY71 3.8 24.9 1.0
CA A:LYS69 3.9 24.3 1.0
CA A:GLY71 4.2 26.4 1.0
N A:THR70 4.2 23.4 1.0
C A:LYS69 4.3 23.6 1.0
C A:GLU68 4.8 20.7 1.0
O A:THR67 4.9 17.4 1.0
C A:GLY71 4.9 27.4 1.0
C A:THR70 5.0 24.3 1.0

Reference:

C.Wiedemann, J.J.Whittaker, V.H.P.Carrillo, B.Goretzki, M.Dajka, F.Tebbe, J.M.Harder, P.R.Krajczy, B.Joseph, F.Hausch, A.Guskov, U.A.Hellmich. Legionella Pneumophila Macrophage Infectivity Potentiator Protein Appendage Domains Modulate Protein Dynamics and Inhibitor Binding. Int.J.Biol.Macromol. 26366 2023.
ISSN: ISSN 0141-8130
PubMed: 37633566
DOI: 10.1016/J.IJBIOMAC.2023.126366
Page generated: Wed Oct 9 10:46:36 2024

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