Zinc in PDB 7av1: LTA4 Hydrolase in Complex with FRAGMENT2

All present enzymatic activity of LTA4 Hydrolase in Complex with FRAGMENT2:
3.3.2.6;

The structure of LTA4 Hydrolase in Complex with FRAGMENT2, PDB code: 7av1 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 / 1.79
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	77.873, 87.109, 98.962, 90, 90, 90
R / Rfree (%)	15.7 / 19.6

The structure of LTA4 Hydrolase in Complex with FRAGMENT2 also contains other interesting chemical elements:

Ytterbium

(Yb)

2 atoms

The binding sites of Zinc atom in the LTA4 Hydrolase in Complex with FRAGMENT2 (pdb code 7av1). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the LTA4 Hydrolase in Complex with FRAGMENT2, PDB code: 7av1:

Zinc binding site 1 out of 1 in the LTA4 Hydrolase in Complex with FRAGMENT2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of LTA4 Hydrolase in Complex with FRAGMENT2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:26.6 occ:1.00 OE1 A:GLU318 2.0 26.3 1.0 NE2 A:HIS299 2.1 14.7 1.0 NE2 A:HIS295 2.1 17.4 1.0 O A:HOH801 2.4 9.2 1.0 O A:HOH906 2.4 29.6 1.0 OE2 A:GLU318 2.6 22.8 1.0 CD A:GLU318 2.6 28.7 1.0 CE1 A:HIS299 3.0 14.3 1.0 CD2 A:HIS295 3.1 16.9 1.0 CD2 A:HIS299 3.2 14.8 1.0 CE1 A:HIS295 3.2 17.4 1.0 CE2 A:TYR383 3.7 19.5 1.0 N13 A:RZK707 3.8 19.7 1.0 OH A:TYR383 3.9 26.7 1.0 CG A:GLU318 4.1 17.6 1.0 CZ A:TYR383 4.1 26.3 1.0 ND1 A:HIS299 4.2 15.4 1.0 CG A:HIS295 4.2 15.8 1.0 CG A:HIS299 4.3 13.7 1.0 ND1 A:HIS295 4.3 17.5 1.0 C15 A:RZK707 4.4 25.8 1.0 OE1 A:GLU271 4.4 15.6 1.0 O A:HOH846 4.5 20.2 1.0 CD2 A:TYR383 4.6 17.9 1.0 CG2 A:THR321 4.6 14.3 1.0 OE1 A:GLU296 4.7 29.0 1.0 OE2 A:GLU296 4.8 31.1 1.0 OE2 A:GLU271 4.8 17.5 1.0 CD A:GLU271 4.8 20.4 1.0 CB A:GLU318 4.9 13.3 1.0 C7 A:RZK707 4.9 30.1 1.0 CB A:THR321 5.0 13.2 1.0

C.Markert, G.Thoma, H.Srinivas, B.Bollbuck, R.M.Luond, W.Miltz, R.Wal̈Chli, R.Wolf, J.Hinrichs, C.Bergsdorf, K.Azzaoui, C.A.Penno, K.Klein, N.Wack, P.Jag̈Er, F.Hasler, C.Beerli, P.Loetscher, J.Dawson, G.Wieczorek, S.Numao, A.Littlewood-Evans, T.A.Rohn. Discovery of LYS006, A Potent and Highly Selective Inhibitor of Leukotriene A4 Hydrolase. J.Med.Chem. 2021.
ISSN: ISSN 0022-2623