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Zinc in PDB 5m6h: Small Molecule Inhibitors of Iap

Protein crystallography data

The structure of Small Molecule Inhibitors of Iap, PDB code: 5m6h 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) 35.49 / 2.50
Space group P 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 70.986, 70.986, 105.656, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 26.4

Other elements in 5m6h:

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

Sodium (Na) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Small Molecule Inhibitors of Iap (pdb code 5m6h). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Small Molecule Inhibitors of Iap, PDB code: 5m6h:

Zinc binding site 1 out of 1 in 5m6h

Go back to Zinc Binding Sites List in 5m6h
Zinc binding site 1 out of 1 in the Small Molecule Inhibitors of Iap


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Small Molecule Inhibitors of Iap within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn401

b:32.1
occ:1.00
NE2 A:HIS320 2.1 23.3 1.0
SG A:CYS303 2.3 30.6 1.0
SG A:CYS327 2.3 31.9 1.0
SG A:CYS300 2.3 30.6 1.0
CE1 A:HIS320 2.9 23.6 1.0
CB A:CYS327 3.1 26.4 1.0
CB A:CYS300 3.1 25.8 1.0
CD2 A:HIS320 3.3 23.5 1.0
CB A:CYS303 3.3 27.1 1.0
N A:CYS303 3.5 26.9 1.0
CA A:CYS303 4.0 27.0 1.0
ND1 A:HIS320 4.1 24.8 1.0
CG A:HIS320 4.3 23.2 1.0
CA A:CYS327 4.5 26.3 1.0
CB A:HIS302 4.5 23.6 1.0
CA A:CYS300 4.6 25.7 1.0
C A:HIS302 4.6 29.8 1.0
CB A:TYR329 4.8 23.3 1.0
CB A:TYR324 4.8 25.7 1.0
N A:HIS302 4.8 26.4 1.0
CA A:HIS302 4.9 24.2 1.0
C A:CYS303 4.9 29.3 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: Wed Dec 16 06:32:17 2020

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