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Ytterbium in PDB 8t0t: Structure of Compound 4 Bound to Human ALDH1A1

Enzymatic activity of Structure of Compound 4 Bound to Human ALDH1A1

All present enzymatic activity of Structure of Compound 4 Bound to Human ALDH1A1:
1.2.1.36;

Protein crystallography data

The structure of Structure of Compound 4 Bound to Human ALDH1A1, PDB code: 8t0t was solved by T.D.Hurley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.03 / 1.75
Space group P 4 2 2
Cell size a, b, c (Å), α, β, γ (°) 109.236, 109.236, 83.245, 90, 90, 90
R / Rfree (%) 19.8 / 24

Other elements in 8t0t:

The structure of Structure of Compound 4 Bound to Human ALDH1A1 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Fluorine (F) 1 atom

Ytterbium Binding Sites:

The binding sites of Ytterbium atom in the Structure of Compound 4 Bound to Human ALDH1A1 (pdb code 8t0t). This binding sites where shown within 5.0 Angstroms radius around Ytterbium atom.
In total only one binding site of Ytterbium was determined in the Structure of Compound 4 Bound to Human ALDH1A1, PDB code: 8t0t:

Ytterbium binding site 1 out of 1 in 8t0t

Go back to Ytterbium Binding Sites List in 8t0t
Ytterbium binding site 1 out of 1 in the Structure of Compound 4 Bound to Human ALDH1A1


Mono view


Stereo pair view

A full contact list of Ytterbium with other atoms in the Yb binding site number 1 of Structure of Compound 4 Bound to Human ALDH1A1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Yb601

b:41.2
occ:1.00
O A:HOH856 2.2 16.2 1.0
O A:HOH946 2.5 22.8 1.0
O A:HOH973 2.6 32.6 1.0
O A:HOH954 2.7 31.6 1.0
O A:HOH948 2.9 26.9 1.0
O A:HOH790 3.0 30.7 1.0
OE1 A:GLU46 4.5 43.0 1.0
OE2 A:GLU46 4.6 48.0 1.0
NZ A:LYS378 4.8 54.9 1.0
O A:HOH857 4.8 38.4 1.0
O A:ASN377 4.9 42.5 1.0
CD A:GLU46 5.0 48.0 1.0

Reference:

C.Takahashi, M.Chtcherbinine, B.C.Huddle, M.W.Wilson, T.Emmel, R.M.Hohlman, S.Mcgonigal, R.J.Buckanovich, S.D.Larsen, T.D.Hurley. Development of Substituted Benzimidazoles As Inhibitors of Human Aldehyde Dehydrogenase 1A Isoenzymes. Chem.Biol.Interact. V. 391 10910 2024.
ISSN: ISSN 0009-2797
PubMed: 38364885
DOI: 10.1016/J.CBI.2024.110910
Page generated: Sat Oct 12 21:34:14 2024

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