Magnesium in PDB 3u67: Crystal Structure of the N-Terminal Domain of HSP90 From Leishmania Major(LMJF33.0312)in Complex with Adp

The structure of Crystal Structure of the N-Terminal Domain of HSP90 From Leishmania Major(LMJF33.0312)in Complex with Adp, PDB code: 3u67 was solved by J.C.Pizarro, A.K.Wernimont, A.Hutchinson, F.Mackenzie, A.Fairlamb, C.H.Arrowsmith, C.Bountra, J.Weigelt, A.M.Edwards, M.A.J.Ferguson, R.Hui, T.Hills, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.94 / 1.77
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	121.865, 42.991, 51.253, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 24

The binding sites of Magnesium atom in the Crystal Structure of the N-Terminal Domain of HSP90 From Leishmania Major(LMJF33.0312)in Complex with Adp (pdb code 3u67). 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 the N-Terminal Domain of HSP90 From Leishmania Major(LMJF33.0312)in Complex with Adp, PDB code: 3u67:

Magnesium binding site 1 out of 1 in the Crystal Structure of the N-Terminal Domain of HSP90 From Leishmania Major(LMJF33.0312)in Complex with Adp


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 the N-Terminal Domain of HSP90 From Leishmania Major(LMJF33.0312)in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg215 b:28.8 occ:1.00 OD1 A:ASN36 2.0 27.8 1.0 O1A A:ADP214 2.1 25.8 1.0 O1B A:ADP214 2.1 26.7 1.0 O A:HOH356 2.1 29.1 1.0 O A:HOH358 2.2 27.3 1.0 O A:HOH357 2.2 26.7 1.0 CG A:ASN36 3.0 28.5 1.0 PB A:ADP214 3.2 26.5 1.0 PA A:ADP214 3.3 26.3 1.0 ND2 A:ASN36 3.4 24.5 1.0 O3A A:ADP214 3.5 26.7 1.0 O3B A:ADP214 3.8 27.4 1.0 O A:HOH225 3.9 25.5 1.0 O5' A:ADP214 3.9 27.1 1.0 O A:HOH234 4.0 27.9 1.0 OE1 A:GLU32 4.1 31.4 1.0 O A:HOH280 4.3 40.3 1.0 CB A:ASN36 4.3 24.3 1.0 O A:HOH325 4.4 48.5 1.0 OG A:SER35 4.5 39.7 1.0 O A:GLU32 4.5 27.7 1.0 O2B A:ADP214 4.5 28.4 1.0 OD2 A:ASP39 4.5 28.7 1.0 CA A:ASN36 4.5 23.9 1.0 O2A A:ADP214 4.5 27.3 1.0 N A:ASN36 4.5 23.5 1.0 CA A:GLY122 4.9 26.4 1.0 CB A:SER35 4.9 27.8 1.0

J.C.Pizarro, T.Hills, G.Senisterra, A.K.Wernimont, C.Mackenzie, N.R.Norcross, M.A.Ferguson, P.G.Wyatt, I.H.Gilbert, R.Hui. Exploring the Trypanosoma Brucei HSP83 Potential As A Target For Structure Guided Drug Design. Plos Negl Trop Dis V. 7 E2492 2013.
ISSN: ESSN 1935-2735
PubMed: 24147171
DOI: 10.1371/JOURNAL.PNTD.0002492