Magnesium in PDB 4iyn: Structure of Mitochondrial HSP90 (TRAP1) with Adp-ALF4-

The structure of Structure of Mitochondrial HSP90 (TRAP1) with Adp-ALF4-, PDB code: 4iyn was solved by J.R.Partridge, L.A.Lavery, D.A.Agard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.81 / 2.31
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	178.896, 96.597, 125.901, 90.00, 134.26, 90.00
R / Rfree (%)	19.1 / 23.1

The structure of Structure of Mitochondrial HSP90 (TRAP1) with Adp-ALF4- also contains other interesting chemical elements:

Fluorine	(F)	8 atoms
Cobalt	(Co)	4 atoms
Aluminium	(Al)	2 atoms

The binding sites of Magnesium atom in the Structure of Mitochondrial HSP90 (TRAP1) with Adp-ALF4- (pdb code 4iyn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Mitochondrial HSP90 (TRAP1) with Adp-ALF4-, PDB code: 4iyn:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Mitochondrial HSP90 (TRAP1) with Adp-ALF4-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Mitochondrial HSP90 (TRAP1) with Adp-ALF4- within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg804 b:37.1 occ:1.00 F4 A:ALF803 1.9 31.6 1.0 O A:HOH1025 2.0 31.3 1.0 O2B A:ADP802 2.0 36.4 1.0 O A:HOH995 2.1 33.4 1.0 F1 A:ALF803 2.3 33.9 1.0 OD1 A:ASN134 2.3 35.1 1.0 O1A A:ADP802 2.4 27.0 1.0 AL A:ALF803 3.0 33.0 1.0 PB A:ADP802 3.0 39.6 1.0 O1B A:ADP802 3.2 33.2 1.0 CG A:ASN134 3.4 36.8 1.0 PA A:ADP802 3.6 36.8 1.0 O3A A:ADP802 3.6 30.6 1.0 OE1 A:GLU130 3.7 39.2 1.0 O A:HOH964 3.7 44.3 1.0 ND2 A:ASN134 3.9 37.3 1.0 O A:HOH994 4.0 27.6 1.0 O A:HOH905 4.1 26.6 1.0 F2 A:ALF803 4.3 32.5 1.0 O A:GLU130 4.3 41.2 1.0 O3B A:ADP802 4.4 39.1 1.0 CA A:GLY219 4.4 36.4 1.0 CA A:GLY214 4.5 38.4 1.0 O5' A:ADP802 4.5 30.6 1.0 F3 A:ALF803 4.6 29.4 1.0 N A:GLY219 4.6 37.9 1.0 CB A:ASN134 4.8 37.3 1.0 O2A A:ADP802 4.8 34.6 1.0 N A:ASN134 4.8 34.4 1.0 CD A:GLU130 4.8 38.7 1.0 N A:PHE220 4.9 33.5 1.0 CA A:ASN134 4.9 36.0 1.0 C A:GLY219 4.9 38.1 1.0 CB A:SER133 5.0 34.6 1.0

Magnesium binding site 2 out of 2 in the Structure of Mitochondrial HSP90 (TRAP1) with Adp-ALF4-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Mitochondrial HSP90 (TRAP1) with Adp-ALF4- within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg805 b:52.5 occ:1.00 F2 B:ALF804 1.8 51.6 0.9 O2B B:ADP803 2.0 41.0 1.0 O B:HOH1049 2.1 58.2 1.0 O B:HOH917 2.1 48.7 1.0 OD1 B:ASN134 2.3 49.6 1.0 O1A B:ADP803 2.4 44.6 1.0 F3 B:ALF804 2.9 50.1 0.9 PB B:ADP803 3.2 47.0 1.0 CG B:ASN134 3.2 50.2 1.0 AL B:ALF804 3.2 50.1 0.9 O1B B:ADP803 3.5 59.1 1.0 PA B:ADP803 3.6 44.8 1.0 ND2 B:ASN134 3.6 50.1 1.0 O3A B:ADP803 3.7 56.7 1.0 OE1 B:GLU130 3.8 48.6 1.0 O B:HOH931 3.9 44.7 1.0 O B:GLU130 4.1 49.3 1.0 O B:HOH1036 4.1 44.9 1.0 O B:HOH903 4.2 34.4 1.0 CA B:GLY219 4.3 38.0 1.0 F4 B:ALF804 4.4 46.9 0.9 O5' B:ADP803 4.4 44.5 1.0 CB B:ASN134 4.5 49.9 1.0 O3B B:ADP803 4.5 48.5 1.0 N B:ASN134 4.6 49.3 1.0 CA B:ASN134 4.6 49.5 1.0 CA B:GLY214 4.6 48.2 1.0 N B:GLY219 4.7 38.0 1.0 C B:GLY219 4.7 39.3 1.0 N B:PHE220 4.8 49.2 1.0 O2A B:ADP803 4.8 52.9 1.0 F1 B:ALF804 4.9 50.6 0.9 CD B:GLU130 4.9 48.8 1.0 CB B:SER133 5.0 46.0 1.0

L.A.Lavery, J.R.Partridge, T.A.Ramelot, D.Elnatan, M.A.Kennedy, D.A.Agard. Structural Asymmetry in the Closed State of Mitochondrial HSP90 (TRAP1) Supports A Two-Step Atp Hydrolysis Mechanism. Mol.Cell V. 53 330 2014.
ISSN: ISSN 1097-2765
PubMed: 24462206
DOI: 10.1016/J.MOLCEL.2013.12.023