Zinc in PDB 6gh4: Hla-E*01:03 in Complex with the MTB44 Peptide Variant: MTB44*P2-Gln.

The structure of Hla-E*01:03 in Complex with the MTB44 Peptide Variant: MTB44*P2-Gln., PDB code: 6gh4 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)	67.47 / 2.16
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	48.317, 76.412, 111.309, 99.39, 99.83, 93.50
R / Rfree (%)	20.2 / 24.2

The binding sites of Zinc atom in the Hla-E*01:03 in Complex with the MTB44 Peptide Variant: MTB44*P2-Gln. (pdb code 6gh4). 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 the MTB44 Peptide Variant: MTB44*P2-Gln., PDB code: 6gh4:

Zinc binding site 1 out of 1 in the Hla-E*01:03 in Complex with the MTB44 Peptide Variant: MTB44*P2-Gln.


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 the MTB44 Peptide Variant: MTB44*P2-Gln. within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:34.5 occ:1.00 OE1 E:GLU183 2.0 41.5 1.0 OE1 C:GLU183 2.0 36.7 1.0 NE2 E:HIS181 2.2 34.3 1.0 NE2 C:HIS181 2.2 24.4 1.0 O E:HOH432 2.7 21.9 1.0 O C:HOH465 2.8 20.4 1.0 CD E:GLU183 2.9 36.3 1.0 CD C:GLU183 3.0 28.1 1.0 CD2 C:HIS181 3.0 22.4 1.0 CE1 E:HIS181 3.1 31.0 1.0 OE2 E:GLU183 3.1 38.7 1.0 CD2 E:HIS181 3.2 29.6 1.0 OE2 C:GLU183 3.2 29.4 1.0 CE1 C:HIS181 3.3 24.3 1.0 ND1 E:HIS181 4.2 31.1 1.0 CG C:HIS181 4.2 21.9 1.0 CG E:HIS181 4.3 29.6 1.0 CG E:GLU183 4.3 30.2 1.0 ND1 C:HIS181 4.3 24.6 1.0 CG C:GLU183 4.4 22.3 1.0 O E:HOH492 4.5 27.5 1.0 CB E:GLU183 4.7 25.4 1.0 CB C:GLU183 4.7 18.9 1.0 O C:LEU182 4.8 19.8 1.0 CA C:GLU183 4.9 18.9 1.0 CA E:GLU183 4.9 24.3 1.0 O E:LEU182 4.9 32.1 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