Mercury in PDB 5lu8: Crystal Structure of Yvad-Cmk Bound Human Legumain (Aep) in Complex with Compound 11B

All present enzymatic activity of Crystal Structure of Yvad-Cmk Bound Human Legumain (Aep) in Complex with Compound 11B:
3.4.22.34;

The structure of Crystal Structure of Yvad-Cmk Bound Human Legumain (Aep) in Complex with Compound 11B, PDB code: 5lu8 was solved by E.Dall, K.Ye, H.Brandstetter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.90 / 1.95
Space group	P 42
Cell size a, b, c (Å), α, β, γ (°)	64.320, 64.320, 78.910, 90.00, 90.00, 90.00
R / Rfree (%)	21.9 / 25.1

The binding sites of Mercury atom in the Crystal Structure of Yvad-Cmk Bound Human Legumain (Aep) in Complex with Compound 11B (pdb code 5lu8). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the Crystal Structure of Yvad-Cmk Bound Human Legumain (Aep) in Complex with Compound 11B, PDB code: 5lu8:

Mercury binding site 1 out of 1 in the Crystal Structure of Yvad-Cmk Bound Human Legumain (Aep) in Complex with Compound 11B


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of Yvad-Cmk Bound Human Legumain (Aep) in Complex with Compound 11B within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg305 b:32.6 occ:1.00 HG A:EMC305 0.0 32.6 1.0 C1 A:EMC305 2.4 31.7 1.0 SG A:CYS219 2.5 25.7 1.0 C2 A:EMC305 3.2 32.6 1.0 CB A:CYS219 3.2 24.9 1.0 CG1 A:VAL235 3.7 25.4 1.0 CZ A:TYR220 3.7 24.7 1.0 CE1 A:TYR220 3.8 23.9 1.0 CE3 A:TRP232 3.8 27.1 1.0 CE2 A:TYR220 3.9 24.4 1.0 CD1 A:TYR220 3.9 23.0 1.0 CZ3 A:TRP232 4.0 27.5 1.0 CD2 A:TYR220 4.0 23.7 1.0 CG A:TYR220 4.1 23.4 1.0 CD2 A:TRP232 4.1 25.8 1.0 CB A:VAL235 4.1 24.5 1.0 O A:HOH443 4.2 31.1 1.0 OH A:TYR220 4.3 25.0 1.0 CH2 A:TRP232 4.4 27.2 1.0 CA A:TRP232 4.5 23.2 1.0 CE2 A:TRP232 4.5 26.4 1.0 N A:TYR220 4.5 23.2 1.0 CA A:CYS219 4.6 23.9 1.0 CG2 A:VAL235 4.7 24.8 1.0 CZ2 A:TRP232 4.7 27.4 1.0 CG A:TRP232 4.7 24.7 1.0 C A:CYS219 4.8 23.8 1.0 N A:TRP232 4.9 22.3 1.0 CB A:TYR220 5.0 23.1 1.0

Z.Zhang, O.Obianyo, E.Dall, Y.Du, H.Fu, X.Liu, S.S.Kang, M.Song, S.P.Yu, C.Cabrele, M.Schubert, X.Li, J.Z.Wang, H.Brandstetter, K.Ye. Inhibition of Delta-Secretase Improves Cognitive Functions in Mouse Models of Alzheimer'S Disease. Nat Commun V. 8 14740 2017.
ISSN: ESSN 2041-1723
PubMed: 28345579
DOI: 10.1038/NCOMMS14740