Magnesium in PDB 3h80: Crystal Structure of the Amino-Terminal Domain of HSP90 From Leishmania Major, LMJF33.0312:M1-K213

The structure of Crystal Structure of the Amino-Terminal Domain of HSP90 From Leishmania Major, LMJF33.0312:M1-K213, PDB code: 3h80 was solved by A.K.Wernimont, W.Tempel, Y.H.Lin, A.Hutchinson, F.Mackenzie, A.Fairlamb, I.Kozieradzki, D.Cossar, Y.Zhao, M.Schapira, A.Bochkarev, C.H.Arrowsmith, C.Bountra, J.Weigelt, A.M.Edwards, M.A.J.Ferguson, R.Hui, J.C.Pizarro, 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)	46.68 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	122.431, 43.197, 50.502, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 27.3

The binding sites of Magnesium atom in the Crystal Structure of the Amino-Terminal Domain of HSP90 From Leishmania Major, LMJF33.0312:M1-K213 (pdb code 3h80). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Amino-Terminal Domain of HSP90 From Leishmania Major, LMJF33.0312:M1-K213, PDB code: 3h80:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Amino-Terminal Domain of HSP90 From Leishmania Major, LMJF33.0312:M1-K213


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 Amino-Terminal Domain of HSP90 From Leishmania Major, LMJF33.0312:M1-K213 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg214 b:23.0 occ:1.00 O2G A:ANP223 2.0 26.3 1.0 O2B A:ANP223 2.0 16.8 1.0 O A:HOH301 2.1 18.0 1.0 OD1 A:ASN36 2.1 18.3 1.0 O1A A:ANP223 2.2 18.2 1.0 O A:HOH300 2.2 26.7 1.0 PB A:ANP223 3.1 19.6 1.0 CG A:ASN36 3.1 16.8 1.0 PG A:ANP223 3.2 25.4 1.0 PA A:ANP223 3.3 19.0 1.0 O3A A:ANP223 3.4 17.4 1.0 ND2 A:ASN36 3.5 17.0 1.0 N3B A:ANP223 3.6 19.6 1.0 O A:HOH302 4.0 19.2 1.0 O A:HOH283 4.1 41.5 1.0 O3G A:ANP223 4.1 23.7 1.0 O5' A:ANP223 4.1 17.8 1.0 OE1 A:GLU32 4.3 22.8 1.0 O1G A:ANP223 4.3 25.9 1.0 O A:GLU32 4.4 15.4 1.0 CB A:ASN36 4.5 14.0 1.0 O1B A:ANP223 4.5 19.3 1.0 O2A A:ANP223 4.5 19.4 1.0 CA A:GLY122 4.6 15.6 1.0 OG A:SER35 4.6 16.5 0.5 CA A:ASN36 4.7 14.9 1.0 N A:PHE123 4.8 15.2 1.0 N A:ASN36 4.8 14.9 1.0 N A:GLY122 4.9 15.8 1.0 OD2 A:ASP39 4.9 24.0 1.0 C A:GLY122 5.0 15.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Amino-Terminal Domain of HSP90 From Leishmania Major, LMJF33.0312:M1-K213


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Amino-Terminal Domain of HSP90 From Leishmania Major, LMJF33.0312:M1-K213 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg222 b:51.5 occ:1.00 OG A:SER159 2.3 27.4 0.5 OE1 A:GLU143 2.7 23.9 0.5 O A:SER144 2.8 17.0 1.0 OG A:SER163 3.1 51.1 1.0 O A:THR160 3.2 40.4 1.0 CB A:SER159 3.4 27.1 0.5 O1 A:EDO220 3.4 42.5 1.0 CB A:SER159 3.5 27.1 0.5 CB A:GLU143 3.5 21.2 0.5 N A:THR160 3.6 32.3 1.0 CD A:GLU143 3.6 22.6 0.5 CB A:GLU143 3.7 21.6 0.5 CB A:SER163 3.7 50.5 1.0 CA A:SER159 3.8 27.2 0.5 CA A:SER159 3.8 27.1 0.5 C A:SER144 3.9 19.4 1.0 N A:SER144 4.1 19.3 1.0 CG A:GLU143 4.1 23.2 0.5 C A:THR160 4.2 39.5 1.0 C A:SER159 4.2 28.5 1.0 OG A:SER144 4.4 16.1 0.5 CE1 A:TYR145 4.4 22.7 1.0 O A:HOH297 4.5 43.1 1.0 CA A:THR160 4.6 37.1 1.0 CA A:SER144 4.6 19.2 0.5 CA A:SER144 4.6 18.5 0.5 C A:GLU143 4.6 20.4 1.0 CG A:GLU143 4.6 24.2 0.5 OE2 A:GLU143 4.6 26.2 0.5 C1 A:EDO220 4.6 43.4 1.0 CD1 A:TYR145 4.6 22.7 1.0 CZ A:TYR145 4.6 21.2 1.0 CA A:GLU143 4.7 21.3 0.5 O A:HOH333 4.7 32.5 1.0 CA A:GLU143 4.8 21.2 0.5 OG A:SER159 4.8 28.0 0.5 CB A:SER144 5.0 19.1 0.5

A.K.Wernimont, W.Tempel, Y.H.Lin, A.Hutchinson, F.Mackenzie, A.Fairlamb, I.Kozieradzki, D.Cossar, Y.Zhao, M.Schapira, A.Bochkarev, C.H.Arrowsmith, C.Bountra, J.Weigelt, A.M.Edwards, M.A.J.Ferguson, R.Hui, J.C.Pizarro, T.Hills. Crystal Structure of the Amino-Terminal Domain of HSP90 From Leishmania Major, LMJF33.0312:M1-K213 To Be Published.