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Sodium in PDB 5m6f: Small Molecule Inhibitors of Iap

Protein crystallography data

The structure of Small Molecule Inhibitors of Iap, PDB code: 5m6f was solved by P.A.Williams, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.43 / 2.39
Space group P 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 71.688, 71.688, 106.015, 90.00, 90.00, 90.00
R / Rfree (%) 20.2 / 26.1

Other elements in 5m6f:

The structure of Small Molecule Inhibitors of Iap also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Small Molecule Inhibitors of Iap (pdb code 5m6f). 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 Small Molecule Inhibitors of Iap, PDB code: 5m6f:

Sodium binding site 1 out of 1 in 5m6f

Go back to Sodium Binding Sites List in 5m6f
Sodium binding site 1 out of 1 in the Small Molecule Inhibitors of Iap


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Small Molecule Inhibitors of Iap within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na402

b:49.9
occ:0.50
O A:HOH584 2.4 43.3 1.0
O A:HOH541 2.4 34.5 1.0
O A:PHE272 2.7 40.6 1.0
C A:PHE272 3.7 40.0 1.0
O A:HOH537 4.2 48.1 1.0
O A:THR274 4.2 44.7 1.0
N A:GLY273 4.4 36.6 1.0
O A:THR271 4.4 44.6 1.0
CA A:GLY273 4.4 38.8 1.0
O A:HOH520 4.7 39.1 1.0
CA A:PHE272 4.7 35.6 1.0
C A:GLY273 4.8 44.7 1.0
N A:THR274 4.9 42.8 1.0
CA A:GLY293 5.0 38.3 1.0

Reference:

E.Tamanini, I.M.Buck, G.Chessari, E.Chiarparin, J.E.H.Day, M.Frederickson, C.M.Griffiths-Jones, K.Hearn, T.D.Heightman, A.Iqbal, C.N.Johnson, E.J.Lewis, V.Martins, T.Peakman, M.Reader, S.J.Rich, G.A.Ward, P.A.Williams, N.E.Wilsher. Discovery of A Potent Nonpeptidomimetic, Small-Molecule Antagonist of Cellular Inhibitor of Apoptosis Protein 1 (CIAP1) and X-Linked Inhibitor of Apoptosis Protein (Xiap). J. Med. Chem. V. 60 4611 2017.
ISSN: ISSN 1520-4804
PubMed: 28492317
DOI: 10.1021/ACS.JMEDCHEM.6B01877
Page generated: Tue Dec 15 11:16:11 2020

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