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Sodium in PDB 6r61: Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258

Protein crystallography data

The structure of Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258, PDB code: 6r61 was solved by R.Krystufek, P.Sacha, J.Brynda, J.Konvalinka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 73.78 / 1.81
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 97.17, 113.39, 91.22, 90, 90, 90
R / Rfree (%) 18.6 / 20.2

Other elements in 6r61:

The structure of Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258 (pdb code 6r61). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258, PDB code: 6r61:

Sodium binding site 1 out of 1 in 6r61

Go back to Sodium Binding Sites List in 6r61
Sodium binding site 1 out of 1 in the Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na412

b:21.6
occ:0.50
O A:HOH605 2.1 29.0 1.0
O A:GLY229 2.3 35.3 1.0
O A:ASN232 2.6 21.2 1.0
C A:GLY229 3.4 35.1 1.0
O A:HOH533 3.4 41.4 1.0
C A:ASN232 3.7 23.3 1.0
CA A:GLY229 4.0 36.4 1.0
N A:ASN232 4.1 28.6 1.0
N A:GLY230 4.4 37.1 1.0
CA A:ASN232 4.5 24.7 1.0
OE1 A:GLN328 4.6 20.8 1.0
CA A:GLY230 4.6 36.2 1.0
N A:PRO233 4.6 20.9 1.0
CA A:PRO233 4.7 21.6 1.0
C A:GLY230 4.7 41.7 1.0
N A:SER231 4.8 37.5 1.0
N A:SER234 4.9 21.4 1.0
O1 A:PGE410 5.0 42.0 0.5
C A:PRO233 5.0 21.9 1.0

Reference:

R.Krystufek, P.Sacha, J.Brynda, J.Konvalinka. Major Aspartyl Peptidase 1 From C. Neoformans in Complex with Inhibitor LP258 To Be Published.
Page generated: Tue Oct 8 13:03:42 2024

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