Ytterbium in PDB 6enc: LTA4 Hydrolase in Complex with COMPOUND11

All present enzymatic activity of LTA4 Hydrolase in Complex with COMPOUND11:
3.3.2.6;

The structure of LTA4 Hydrolase in Complex with COMPOUND11, PDB code: 6enc was solved by H.Srinivas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.18 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	78.063, 87.175, 99.154, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 19.5

The structure of LTA4 Hydrolase in Complex with COMPOUND11 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Ytterbium atom in the LTA4 Hydrolase in Complex with COMPOUND11 (pdb code 6enc). This binding sites where shown within 5.0 Angstroms radius around Ytterbium atom.
In total 2 binding sites of Ytterbium where determined in the LTA4 Hydrolase in Complex with COMPOUND11, PDB code: 6enc:
Jump to Ytterbium binding site number: 1; 2;

Ytterbium binding site 1 out of 2 in the LTA4 Hydrolase in Complex with COMPOUND11


Mono view


Stereo pair view

A full contact list of Ytterbium with other atoms in the Yb binding site number 1 of LTA4 Hydrolase in Complex with COMPOUND11 within 5.0Å range: probe atom residue distance (Å) B Occ A:Yb703 b:22.5 occ:1.00 O A:HOH1008 2.4 19.9 1.0 O A:HOH808 2.4 16.6 1.0 O A:ACT702 2.4 19.0 1.0 OD1 A:ASP481 2.4 17.4 1.0 OXT A:ACT702 2.5 27.1 1.0 OD2 A:ASP481 2.5 22.4 1.0 O A:HOH1169 2.6 27.0 1.0 C A:ACT702 2.8 23.1 1.0 CG A:ASP481 2.8 21.1 1.0 CH3 A:ACT702 4.3 19.5 1.0 CB A:ASP481 4.3 17.8 1.0 OD2 A:ASP482 4.4 27.9 1.0 OD1 A:ASP482 4.4 23.7 1.0 O A:HOH835 4.5 17.3 1.0 CG A:ASP482 4.7 26.6 1.0 O A:HOH1270 4.8 36.2 1.0 CB A:LYS479 4.8 18.1 1.0 CG A:LYS479 4.9 26.1 1.0

Ytterbium binding site 2 out of 2 in the LTA4 Hydrolase in Complex with COMPOUND11


Mono view


Stereo pair view

A full contact list of Ytterbium with other atoms in the Yb binding site number 2 of LTA4 Hydrolase in Complex with COMPOUND11 within 5.0Å range: probe atom residue distance (Å) B Occ A:Yb704 b:51.6 occ:0.41 OD1 A:ASP175 2.3 43.2 1.0 CG A:ASP175 3.3 41.4 1.0 OD2 A:ASP175 3.6 46.9 1.0 CB A:ASP175 4.6 23.2 1.0 O A:ASP175 4.7 30.5 1.0 CA A:ASP175 4.8 22.4 1.0 O A:HOH1242 4.9 59.7 1.0

S.Numao, F.Hasler, C.Laguerre, H.Srinivas, N.Wack, P.Jager, A.Schmid, A.Osmont, P.Rothlisberger, J.Houguenade, C.Bergsdorf, J.Dawson, N.Carte, A.Hofmann, C.Markert, L.Hardaker, A.Billich, R.M.Wolf, C.A.Penno, B.Bollbuck, W.Miltz, T.A.Rohn. Feasibility and Physiological Relevance of Designing Highly Potent Aminopeptidase-Sparing Leukotriene A4 Hydrolase Inhibitors. Sci Rep V. 7 13591 2017.
ISSN: ESSN 2045-2322
PubMed: 29051536
DOI: 10.1038/S41598-017-13490-1