Zinc in PDB 6gh1: Hla-E*01:03 in Complex with MTB44

All present enzymatic activity of Hla-E*01:03 in Complex with MTB44:
1.3.1.9;

The structure of Hla-E*01:03 in Complex with MTB44, PDB code: 6gh1 was solved by L.C.Walters, G.M.Gillespie, A.J.Mcmichael, D.Rozbesky, E.Y.Jones, K.Harlos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.02 / 2.10
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	48.380, 76.600, 111.150, 99.33, 99.56, 93.66
R / Rfree (%)	19.1 / 22.9

The binding sites of Zinc atom in the Hla-E*01:03 in Complex with MTB44 (pdb code 6gh1). 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 Hla-E*01:03 in Complex with MTB44, PDB code: 6gh1:

Zinc binding site 1 out of 1 in the Hla-E*01:03 in Complex with MTB44


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Hla-E*01:03 in Complex with MTB44 within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn302 b:30.4 occ:1.00 OE2 G:GLU183 2.0 51.0 1.0 NE2 G:HIS181 2.0 33.7 1.0 CD G:GLU183 2.6 48.0 1.0 CE1 G:HIS181 3.0 36.2 1.0 CD2 G:HIS181 3.1 31.7 1.0 OE1 G:GLU183 3.2 48.5 1.0 CG G:GLU183 3.5 40.2 1.0 ND1 G:HIS181 4.1 35.1 1.0 CG G:HIS181 4.2 31.8 1.0 O G:LEU182 4.3 34.3 1.0 CB G:GLU183 4.6 24.2 1.0 CA G:GLU183 4.6 25.0 1.0

L.C.Walters, K.Harlos, S.Brackenridge, D.Rozbesky, J.R.Barrett, V.Jain, T.S.Walter, C.A.O'callaghan, P.Borrow, M.Toebes, S.G.Hansen, J.Sacha, S.Abdulhaqq, J.M.Greene, K.Fruh, E.Marshall, L.J.Picker, E.Y.Jones, A.J.Mcmichael, G.M.Gillespie. Pathogen-Derived Hla-E Bound Epitopes Reveal Broad Primary Anchor Pocket Tolerability and Conformationally Malleable Peptide Binding. Nat Commun V. 9 3137 2018.
ISSN: ESSN 2041-1723
PubMed: 30087334
DOI: 10.1038/S41467-018-05459-Z