Magnesium in PDB 6pyl: Crystal Structure of Hla-B*2703 in Complex with KK10, An Hiv Peptide

The structure of Crystal Structure of Hla-B*2703 in Complex with KK10, An Hiv Peptide, PDB code: 6pyl was solved by S.Gras, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.40 / 1.52
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.847, 82.649, 104.755, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 23

The binding sites of Magnesium atom in the Crystal Structure of Hla-B*2703 in Complex with KK10, An Hiv Peptide (pdb code 6pyl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Hla-B*2703 in Complex with KK10, An Hiv Peptide, PDB code: 6pyl:

Magnesium binding site 1 out of 1 in the Crystal Structure of Hla-B*2703 in Complex with KK10, An Hiv Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Hla-B*2703 in Complex with KK10, An Hiv Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg101 b:26.5 occ:1.00 O B:LEU87 2.2 23.1 1.0 O B:HOH277 2.4 31.0 1.0 O B:HOH262 2.4 29.4 1.0 O B:HIS84 2.5 21.4 1.0 O B:HOH286 2.6 27.4 1.0 OD1 B:ASN83 2.6 20.4 1.0 CG B:ASN83 3.4 24.1 1.0 C B:LEU87 3.4 23.4 1.0 C B:HIS84 3.5 21.2 1.0 ND2 B:ASN83 3.6 25.7 1.0 N B:HIS84 4.1 14.5 1.0 O B:VAL85 4.2 22.7 0.4 CA B:VAL85 4.2 19.1 0.4 N B:VAL85 4.2 19.2 0.4 N B:VAL85 4.2 18.2 0.6 CA B:LEU87 4.2 20.1 1.0 CA B:VAL85 4.2 17.4 0.6 N B:LEU87 4.3 21.0 1.0 C B:VAL85 4.4 22.5 0.4 CB B:LEU87 4.4 19.4 1.0 C B:VAL85 4.5 22.3 0.6 O B:VAL85 4.5 23.1 0.6 N B:SER88 4.5 22.5 1.0 CA B:HIS84 4.5 14.1 1.0 C B:SER88 4.6 26.9 1.0 CA B:SER88 4.7 22.6 0.5 O B:SER88 4.7 26.6 1.0 CA B:SER88 4.7 22.8 0.5 CB B:ASN83 4.7 16.5 1.0 N B:GLN89 4.9 24.4 1.0 C B:ASN83 5.0 18.0 1.0

T.C.C.Lim Kam Sian, S.Indumathy, H.Halim, A.Greule, M.J.Cryle, P.Bowness, J.Rossjohn, S.Gras, A.W.Purcell, R.B.Schittenhelm. Allelic Association with Ankylosing Spondylitis Fails to Correlate with Human Leukocyte Antigen B27 Homodimer Formation. J.Biol.Chem. 2019.
ISSN: ESSN 1083-351X
PubMed: 31740583
DOI: 10.1074/JBC.RA119.010257