Ytterbium in PDB 7um9: Human ALDH1A1 with Bound Compound CM38

All present enzymatic activity of Human ALDH1A1 with Bound Compound CM38:
1.2.1.36;

The structure of Human ALDH1A1 with Bound Compound CM38, PDB code: 7um9 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)	48.79 / 1.80
Space group	P 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	109.108, 109.108, 83.077, 90, 90, 90
R / Rfree (%)	17.8 / 21.6

The structure of Human ALDH1A1 with Bound Compound CM38 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Ytterbium atom in the Human ALDH1A1 with Bound Compound CM38 (pdb code 7um9). This binding sites where shown within 5.0 Angstroms radius around Ytterbium atom.
In total 3 binding sites of Ytterbium where determined in the Human ALDH1A1 with Bound Compound CM38, PDB code: 7um9:
Jump to Ytterbium binding site number: 1; 2; 3;

Ytterbium binding site 1 out of 3 in the Human ALDH1A1 with Bound Compound CM38


Mono view


Stereo pair view

A full contact list of Ytterbium with other atoms in the Yb binding site number 1 of Human ALDH1A1 with Bound Compound CM38 within 5.0Å range: probe atom residue distance (Å) B Occ A:Yb602 b:31.6 occ:1.00 O A:HOH896 2.3 32.6 1.0 O A:HOH779 2.4 23.7 1.0 O A:HOH914 2.6 22.6 1.0 O A:HOH905 2.6 33.8 1.0 O A:HOH818 2.7 30.7 1.0 OE2 A:GLU46 4.2 35.3 1.0 O A:HOH904 4.3 31.4 1.0 O A:HOH749 4.4 30.9 1.0 O A:ASN377 4.5 37.4 1.0 OE1 A:GLU46 4.5 33.9 1.0 CD A:GLU46 4.8 34.7 1.0

Ytterbium binding site 2 out of 3 in the Human ALDH1A1 with Bound Compound CM38


Mono view


Stereo pair view

A full contact list of Ytterbium with other atoms in the Yb binding site number 2 of Human ALDH1A1 with Bound Compound CM38 within 5.0Å range: probe atom residue distance (Å) B Occ A:Yb603 b:40.0 occ:1.00 O A:HOH701 2.2 26.7 1.0 O1N A:NAD605 2.3 27.8 1.0 O2A A:NAD605 2.5 39.4 1.0 O A:HOH899 2.5 25.6 1.0 O A:HOH873 2.5 30.3 1.0 O A:HOH890 2.5 34.4 1.0 O A:HOH878 2.9 36.2 1.0 PN A:NAD605 3.6 34.6 1.0 PA A:NAD605 3.7 31.5 1.0 O3 A:NAD605 3.9 32.9 1.0 OE2 A:GLU349 4.0 45.9 1.0 OE1 A:GLU349 4.4 43.8 1.0 O2N A:NAD605 4.5 36.3 1.0 CG2 A:VAL250 4.5 24.5 1.0 O1A A:NAD605 4.6 30.7 1.0 O A:HOH707 4.7 32.8 1.0 C5D A:NAD605 4.7 34.2 1.0 CD A:GLU349 4.7 49.3 1.0 O5D A:NAD605 4.7 33.5 1.0 O5B A:NAD605 4.7 29.0 1.0 C8A A:NAD605 4.7 31.6 1.0 O A:HOH906 4.7 33.4 1.0 OG A:SER247 4.9 27.0 1.0

Ytterbium binding site 3 out of 3 in the Human ALDH1A1 with Bound Compound CM38


Mono view


Stereo pair view

A full contact list of Ytterbium with other atoms in the Yb binding site number 3 of Human ALDH1A1 with Bound Compound CM38 within 5.0Å range: probe atom residue distance (Å) B Occ A:Yb604 b:50.0 occ:0.41 OD1 A:ASP283 2.5 34.6 1.0 OD2 A:ASP283 2.8 47.3 1.0 CG A:ASP283 3.0 42.9 1.0 CB A:ASP285 4.0 38.7 1.0 N A:ASN286 4.1 28.4 1.0 O A:HOH843 4.2 34.6 1.0 CB A:ASN286 4.4 26.4 1.0 CB A:ASP283 4.5 35.1 1.0 CA A:ASN286 4.7 29.6 1.0 C A:ASP285 4.8 31.8 1.0 CA A:ASP285 4.8 28.9 1.0 N A:ASP285 4.9 33.6 1.0

T.D.Hurley, T.D.Hurley. N/A N/A.