Ytterbium in PDB 4wb9: Human ALDH1A1 Complexed with Nadh

All present enzymatic activity of Human ALDH1A1 Complexed with Nadh:
1.2.1.36;

The structure of Human ALDH1A1 Complexed with Nadh, PDB code: 4wb9 was solved by C.A.Morgan, T.D.Hurley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	109.42 / 2.07
Space group	P 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	109.415, 109.415, 83.448, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 23.4

The structure of Human ALDH1A1 Complexed with Nadh also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Ytterbium atom in the Human ALDH1A1 Complexed with Nadh (pdb code 4wb9). This binding sites where shown within 5.0 Angstroms radius around Ytterbium atom.
In total 2 binding sites of Ytterbium where determined in the Human ALDH1A1 Complexed with Nadh, PDB code: 4wb9:
Jump to Ytterbium binding site number: 1; 2;

Ytterbium binding site 1 out of 2 in the Human ALDH1A1 Complexed with Nadh


Mono view


Stereo pair view

A full contact list of Ytterbium with other atoms in the Yb binding site number 1 of Human ALDH1A1 Complexed with Nadh within 5.0Å range: probe atom residue distance (Å) B Occ A:Yb5502 b:35.9 occ:0.80 O A:HOH5815 1.8 17.1 1.0 O A:HOH5813 1.9 12.2 1.0 O A:HOH5814 2.2 39.3 1.0 O A:HOH5645 2.2 41.0 1.0 O A:HOH5677 2.3 34.4 1.0 O A:HOH5816 2.5 29.2 1.0 O A:HOH5675 2.5 19.7 1.0 OE2 A:GLU46 4.3 48.0 1.0 O A:ASN377 4.5 51.7 1.0 OE1 A:GLU46 4.8 55.0 1.0 CD A:GLU46 5.0 49.6 1.0

Ytterbium binding site 2 out of 2 in the Human ALDH1A1 Complexed with Nadh


Mono view


Stereo pair view

A full contact list of Ytterbium with other atoms in the Yb binding site number 2 of Human ALDH1A1 Complexed with Nadh within 5.0Å range: probe atom residue distance (Å) B Occ A:Yb5503 b:48.1 occ:0.80 O1N A:NAI5501 2.2 40.0 1.0 CL A:CL5504 2.2 59.4 0.8 O A:HOH5806 2.2 27.0 1.0 O2A A:NAI5501 2.4 36.7 1.0 CL A:CL5506 2.9 53.8 0.8 CL A:CL5505 3.0 56.2 0.8 PN A:NAI5501 3.5 46.3 1.0 PA A:NAI5501 3.6 39.0 1.0 O3 A:NAI5501 3.9 41.2 1.0 OE2 A:GLU349 4.1 72.0 1.0 OE1 A:GLU349 4.3 68.1 1.0 CG2 A:VAL250 4.6 49.1 1.0 O1A A:NAI5501 4.6 39.9 1.0 O2N A:NAI5501 4.6 48.0 1.0 C8A A:NAI5501 4.6 34.6 1.0 O5B A:NAI5501 4.6 40.8 1.0 O5D A:NAI5501 4.7 44.2 1.0 C5D A:NAI5501 4.7 45.4 1.0 CD A:GLU349 4.7 59.0 1.0 N7A A:NAI5501 4.9 35.1 1.0 OG A:SER247 4.9 34.9 1.0

C.A.Morgan, T.D.Hurley. Development of A High-Throughput in Vitro Assay to Identify Selective Inhibitors For Human ALDH1A1. Chem.Biol.Interact. 2014.
ISSN: ISSN 0009-2797
PubMed: 25450233
DOI: 10.1016/J.CBI.2014.10.028