Magnesium in PDB 6b1i: Disrupted Hydrogen Bond Network Impairs Atpase Activity in An HSC70 Cysteine Mutant

The structure of Disrupted Hydrogen Bond Network Impairs Atpase Activity in An HSC70 Cysteine Mutant, PDB code: 6b1i was solved by J.P.O'donnell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.73 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.830, 79.196, 76.252, 90.00, 101.45, 90.00
R / Rfree (%)	19.1 / 24.2

The binding sites of Magnesium atom in the Disrupted Hydrogen Bond Network Impairs Atpase Activity in An HSC70 Cysteine Mutant (pdb code 6b1i). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Disrupted Hydrogen Bond Network Impairs Atpase Activity in An HSC70 Cysteine Mutant, PDB code: 6b1i:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Disrupted Hydrogen Bond Network Impairs Atpase Activity in An HSC70 Cysteine Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Disrupted Hydrogen Bond Network Impairs Atpase Activity in An HSC70 Cysteine Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:20.1 occ:1.00 O2B A:ADP403 2.1 14.7 1.0 O A:HOH516 2.1 26.9 1.0 O3 A:PO4402 2.1 22.8 1.0 O A:HOH555 2.2 7.8 1.0 O A:HOH562 2.2 14.3 1.0 O A:HOH512 2.3 13.0 1.0 PB A:ADP403 3.2 17.6 1.0 O A:HOH501 3.4 5.1 1.0 O3B A:ADP403 3.5 16.4 1.0 O A:HOH508 3.5 13.0 1.0 P A:PO4402 3.5 33.9 1.0 O2A A:ADP403 3.7 21.2 1.0 O1 A:PO4402 3.8 39.5 1.0 OD2 A:ASP199 4.1 19.6 1.0 OD1 A:ASP199 4.1 17.9 1.0 O1B A:ADP403 4.2 16.7 1.0 O4 A:PO4402 4.2 30.5 1.0 OD2 A:ASP10 4.3 14.4 1.0 OE1 A:GLU175 4.3 15.6 1.0 O3A A:ADP403 4.4 15.2 1.0 CG A:ASP199 4.5 21.3 1.0 O A:HOH664 4.5 21.4 1.0 O2 A:PO4402 4.6 36.7 1.0 OD1 A:ASP10 4.6 11.5 1.0 PA A:ADP403 4.7 14.9 1.0 CG A:ASP10 4.8 21.7 1.0 O A:HOH578 4.9 16.0 1.0

Magnesium binding site 2 out of 2 in the Disrupted Hydrogen Bond Network Impairs Atpase Activity in An HSC70 Cysteine Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Disrupted Hydrogen Bond Network Impairs Atpase Activity in An HSC70 Cysteine Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:19.9 occ:1.00 O B:HOH540 2.1 11.4 1.0 O2B B:ADP403 2.1 23.1 1.0 O B:HOH567 2.1 18.1 1.0 O B:HOH516 2.2 18.4 1.0 O2 B:PO4402 2.2 40.2 1.0 O B:HOH535 2.2 24.1 1.0 PB B:ADP403 3.3 20.2 1.0 O B:HOH501 3.3 2.0 1.0 O1B B:ADP403 3.5 32.3 1.0 P B:PO4402 3.5 40.8 1.0 O B:HOH510 3.5 11.9 1.0 O4 B:PO4402 3.8 35.7 1.0 O2A B:ADP403 3.8 22.7 1.0 OD2 B:ASP10 4.1 11.8 1.0 OD1 B:ASP199 4.1 25.2 1.0 OD2 B:ASP199 4.2 20.2 1.0 O3 B:PO4402 4.2 44.9 1.0 O3A B:ADP403 4.2 44.9 1.0 OE1 B:GLU175 4.4 17.2 1.0 O3B B:ADP403 4.4 23.8 1.0 PA B:ADP403 4.6 14.8 1.0 OD1 B:ASP10 4.6 15.8 1.0 CG B:ASP199 4.6 23.5 1.0 O1 B:PO4402 4.6 39.4 1.0 O B:HOH630 4.7 14.0 1.0 CG B:ASP10 4.8 19.1 1.0 CA B:GLY12 5.0 12.2 1.0

J.P.O'donnell, H.M.Marsh, H.Sondermann, C.S.Sevier. Disrupted Hydrogen-Bond Network and Impaired Atpase Activity in An HSC70 Cysteine Mutant. Biochemistry V. 57 1073 2018.
ISSN: ISSN 1520-4995
PubMed: 29300467
DOI: 10.1021/ACS.BIOCHEM.7B01005