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

The structure of Hla-E*01:03 in Complex with the MTB44 Peptide Variant: MTB44*P2-Phe., PDB code: 6ggm 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)	53.18 / 2.73
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	60.930, 66.041, 72.104, 102.30, 101.22, 109.70
R / Rfree (%)	18 / 22.1

The binding sites of Zinc atom in the Hla-E*01:03 in Complex with the MTB44 Peptide Variant: MTB44*P2-Phe. (pdb code 6ggm). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Hla-E*01:03 in Complex with the MTB44 Peptide Variant: MTB44*P2-Phe., PDB code: 6ggm:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Hla-E*01:03 in Complex with the MTB44 Peptide Variant: MTB44*P2-Phe.


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-Phe. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:16.3 occ:1.00 OE1 C:GLU183 2.0 12.3 1.0 OE2 A:GLU183 2.0 9.9 1.0 NE2 C:HIS181 2.1 13.3 1.0 NE2 A:HIS181 2.2 10.6 1.0 CD2 C:HIS181 2.9 13.0 1.0 CD A:GLU183 3.0 12.5 1.0 CD2 A:HIS181 3.1 12.9 1.0 CD C:GLU183 3.1 15.3 1.0 CE1 C:HIS181 3.1 14.4 1.0 CE1 A:HIS181 3.3 12.6 1.0 OE1 A:GLU183 3.5 16.6 1.0 OE2 C:GLU183 3.6 14.8 1.0 CG C:HIS181 4.1 16.2 1.0 ND1 C:HIS181 4.2 16.1 1.0 CG A:HIS181 4.3 12.9 1.0 O A:LEU182 4.3 14.6 1.0 ND1 A:HIS181 4.3 15.0 1.0 CG A:GLU183 4.4 10.0 1.0 CG C:GLU183 4.4 17.4 1.0 O C:LEU182 4.5 9.6 1.0 CB C:GLU183 4.6 9.4 1.0 CA A:GLU183 4.6 10.5 1.0 CB A:GLU183 4.6 6.7 1.0 CA C:GLU183 4.7 11.4 1.0 CD A:PRO184 4.9 8.8 1.0

Zinc binding site 2 out of 4 in the Hla-E*01:03 in Complex with the MTB44 Peptide Variant: MTB44*P2-Phe.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Hla-E*01:03 in Complex with the MTB44 Peptide Variant: MTB44*P2-Phe. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:14.7 occ:1.00 NZ P:LYS5 2.0 13.8 1.0 ND1 A:HIS155 2.1 12.7 1.0 OE2 A:GLU152 2.3 16.6 1.0 CE P:LYS5 2.7 11.5 1.0 CD A:GLU152 2.8 17.7 1.0 OE1 A:GLU152 2.9 19.5 1.0 CE1 A:HIS155 3.0 16.7 1.0 CG A:HIS155 3.1 14.2 1.0 CB A:HIS155 3.5 10.4 1.0 CD P:LYS5 4.0 17.1 1.0 NE2 A:HIS155 4.1 21.5 1.0 CD2 A:HIS155 4.2 17.0 1.0 CG A:GLU152 4.2 15.1 1.0 CA A:GLU152 4.3 11.9 1.0 CB A:GLU152 4.5 12.8 1.0 O A:ALA150 4.7 18.9 1.0 O A:GLU152 4.9 16.1 1.0

Zinc binding site 3 out of 4 in the Hla-E*01:03 in Complex with the MTB44 Peptide Variant: MTB44*P2-Phe.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Hla-E*01:03 in Complex with the MTB44 Peptide Variant: MTB44*P2-Phe. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn303 b:94.5 occ:1.00 OD2 A:ASP196 2.5 60.0 1.0 CD2 A:HIS197 2.7 61.8 1.0 OD1 A:ASP196 2.8 68.9 1.0 CG A:ASP196 2.9 61.1 1.0 CG A:HIS197 3.2 51.9 1.0 CB A:HIS197 3.3 51.7 1.0 NE2 A:HIS197 3.7 72.3 1.0 N A:HIS197 4.0 51.7 1.0 CA A:HIS197 4.3 56.2 1.0 ND1 A:HIS197 4.3 62.1 1.0 CB A:ASP196 4.4 47.1 1.0 CE1 A:HIS197 4.6 61.9 1.0 C A:ASP196 4.7 54.5 1.0 CA A:ASP196 4.9 54.7 1.0 N A:ASP196 5.0 53.2 1.0

Zinc binding site 4 out of 4 in the Hla-E*01:03 in Complex with the MTB44 Peptide Variant: MTB44*P2-Phe.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Hla-E*01:03 in Complex with the MTB44 Peptide Variant: MTB44*P2-Phe. within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:0.9 occ:1.00 OD2 C:ASP196 2.2 83.8 1.0 OD1 C:ASP196 2.3 60.7 1.0 CG C:ASP196 2.5 68.9 1.0 CD2 C:HIS197 3.6 55.1 1.0 CB C:HIS197 4.0 46.7 1.0 CB C:ASP196 4.0 60.9 1.0 CG C:HIS197 4.0 48.6 1.0 N C:HIS197 4.2 53.3 1.0 NE2 C:HIS197 4.7 47.9 1.0 C C:ASP196 4.7 51.6 1.0 CA C:ASP196 4.7 59.5 1.0 CA C:HIS197 4.7 52.6 1.0 N C:ASP196 4.9 56.0 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