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Potassium in PDB 4qfc: Co-Crystal Structure of Compound 3 (4-Hydroxy-6-[2-(7-Hydroxy-2-Oxo-4- Phenyl-2H-Chromen-6-Yl)Ethyl]Pyridazin-3(2H)-One) and Fad Bound to Human Daao at 2.4A

Enzymatic activity of Co-Crystal Structure of Compound 3 (4-Hydroxy-6-[2-(7-Hydroxy-2-Oxo-4- Phenyl-2H-Chromen-6-Yl)Ethyl]Pyridazin-3(2H)-One) and Fad Bound to Human Daao at 2.4A

All present enzymatic activity of Co-Crystal Structure of Compound 3 (4-Hydroxy-6-[2-(7-Hydroxy-2-Oxo-4- Phenyl-2H-Chromen-6-Yl)Ethyl]Pyridazin-3(2H)-One) and Fad Bound to Human Daao at 2.4A:
1.4.3.3;

Protein crystallography data

The structure of Co-Crystal Structure of Compound 3 (4-Hydroxy-6-[2-(7-Hydroxy-2-Oxo-4- Phenyl-2H-Chromen-6-Yl)Ethyl]Pyridazin-3(2H)-One) and Fad Bound to Human Daao at 2.4A, PDB code: 4qfc was solved by C.M.Lukacs, L.Chun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.79 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.390, 60.930, 258.450, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 22.7

Potassium Binding Sites:

The binding sites of Potassium atom in the Co-Crystal Structure of Compound 3 (4-Hydroxy-6-[2-(7-Hydroxy-2-Oxo-4- Phenyl-2H-Chromen-6-Yl)Ethyl]Pyridazin-3(2H)-One) and Fad Bound to Human Daao at 2.4A (pdb code 4qfc). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Co-Crystal Structure of Compound 3 (4-Hydroxy-6-[2-(7-Hydroxy-2-Oxo-4- Phenyl-2H-Chromen-6-Yl)Ethyl]Pyridazin-3(2H)-One) and Fad Bound to Human Daao at 2.4A, PDB code: 4qfc:

Potassium binding site 1 out of 1 in 4qfc

Go back to Potassium Binding Sites List in 4qfc
Potassium binding site 1 out of 1 in the Co-Crystal Structure of Compound 3 (4-Hydroxy-6-[2-(7-Hydroxy-2-Oxo-4- Phenyl-2H-Chromen-6-Yl)Ethyl]Pyridazin-3(2H)-One) and Fad Bound to Human Daao at 2.4A


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Co-Crystal Structure of Compound 3 (4-Hydroxy-6-[2-(7-Hydroxy-2-Oxo-4- Phenyl-2H-Chromen-6-Yl)Ethyl]Pyridazin-3(2H)-One) and Fad Bound to Human Daao at 2.4A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K401

b:37.7
occ:1.00
 O B:TYR128 2.5 33.0 1.0
O B:PHE125 2.7 28.3 1.0
O B:LEU122 2.9 34.2 1.0
C B:LEU122 3.6 33.6 1.0
C B:PHE125 3.6 30.3 1.0
C B:TYR128 3.7 30.2 1.0
CA B:PRO126 4.0 32.1 1.0
O B:PRO126 4.0 33.4 1.0
C B:PRO126 4.1 31.4 1.0
CB B:LEU122 4.2 32.9 1.0
N B:PRO126 4.2 30.3 1.0
N B:TYR128 4.3 33.7 1.0
CA B:LEU122 4.3 32.3 1.0
N B:ASP123 4.3 33.5 1.0
N B:GLY129 4.5 30.5 1.0
CA B:GLY129 4.5 30.8 1.0
CA B:TYR128 4.6 31.0 1.0
CA B:ASP123 4.6 35.2 1.0
CA B:PHE125 4.6 32.7 1.0
N B:PHE125 4.7 33.9 1.0
N B:ASP127 4.9 31.7 1.0
CB B:PHE125 5.0 33.1 1.0

Reference:

R.T.Terry-Lorenzo, L.E.Chun, S.P.Brown, M.L.Heffernan, Q.K.Fang, M.A.Orsini, L.Pollegioni, L.W.Hardy, K.L.Spear, T.H.Large. Novel Human D-Amino Acid Oxidase Inhibitors Stabilize An Active Site Lid Open Conformation. Biosci.Rep. 2014.
ISSN: ISSN 0144-8463
PubMed: 25001371
DOI: 10.1042/BSR20140071
Page generated: Mon Aug 12 11:53:47 2024

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