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Magnesium in PDB 4h5t: HSC70 Nbd with Adp and Mg

Protein crystallography data

The structure of HSC70 Nbd with Adp and Mg, PDB code: 4h5t was solved by B.Stec, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.00 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 131.905, 46.379, 87.711, 90.00, 127.20, 90.00
R / Rfree (%) 23.2 / 29.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the HSC70 Nbd with Adp and Mg (pdb code 4h5t). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the HSC70 Nbd with Adp and Mg, PDB code: 4h5t:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4h5t

Go back to Magnesium Binding Sites List in 4h5t
Magnesium binding site 1 out of 2 in the HSC70 Nbd with Adp and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of HSC70 Nbd with Adp and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:39.8
occ:1.00
O3B A:ADP401 2.1 32.2 1.0
O A:HOH502 2.1 30.5 1.0
O4 A:PO4404 2.3 41.0 1.0
O A:HOH643 2.4 32.9 1.0
O A:HOH501 2.6 33.7 1.0
O A:HOH652 2.6 37.1 1.0
O A:HOH503 3.1 27.6 1.0
O1 A:PO4404 3.2 37.1 1.0
P A:PO4404 3.3 42.6 1.0
PB A:ADP401 3.4 31.0 1.0
O2B A:ADP401 3.7 31.4 1.0
O1A A:ADP401 3.8 33.2 1.0
OD1 A:ASP10 4.1 33.0 1.0
O2 A:PO4404 4.1 41.7 1.0
OD2 A:ASP10 4.1 41.9 1.0
OE1 A:GLU175 4.3 33.8 1.0
OD2 A:ASP199 4.3 42.4 1.0
O1B A:ADP401 4.3 28.9 1.0
O A:HOH633 4.4 39.6 1.0
O3A A:ADP401 4.5 24.7 1.0
CG A:ASP10 4.5 37.6 1.0
OD1 A:ASP199 4.5 31.7 1.0
O3 A:PO4404 4.5 37.1 1.0
CD A:GLU175 4.7 32.9 1.0
CA A:GLY12 4.8 32.6 1.0
PA A:ADP401 4.8 28.7 1.0
CG A:ASP199 4.9 33.8 1.0
OE2 A:GLU175 4.9 33.4 1.0
O A:HOH529 4.9 22.5 1.0
O A:TYR15 5.0 32.6 1.0

Magnesium binding site 2 out of 2 in 4h5t

Go back to Magnesium Binding Sites List in 4h5t
Magnesium binding site 2 out of 2 in the HSC70 Nbd with Adp and Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of HSC70 Nbd with Adp and Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg403

b:40.8
occ:1.00
O A:HOH703 2.2 34.2 1.0
O A:HOH613 2.6 33.8 1.0
O A:HOH718 2.6 39.6 1.0
OE2 A:GLU27 2.7 33.6 1.0
O A:HOH704 2.8 60.4 1.0
CD A:GLU27 3.4 34.6 1.0
OE1 A:GLU27 3.5 34.6 1.0
O A:HOH594 3.6 46.5 1.0
NH1 A:ARG36 3.9 36.4 1.0
O A:ILE28 4.4 33.8 1.0
O A:HOH510 4.4 26.8 1.0
CG A:GLU27 4.7 32.8 1.0

Reference:

Z.Ziming, J.Cellitti, P.Teriete, M.Pellecchia, B.Stec. New Crystal Structures of Hsc-70 Atp Binding Domain Confirm the Role of Individual Binding Pockets and Suggests A New Method of Inhibition To Be Published.
Page generated: Mon Dec 14 17:13:45 2020

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