Magnesium in PDB 6rp2: Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1

All present enzymatic activity of Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1:
1.12.99.6;

The structure of Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1, PDB code: 6rp2 was solved by S.B.Carr, F.A.Armstrong, L.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	86.07 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.720, 97.520, 183.060, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 15.9

The structure of Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1 also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Iron	(Fe)	26 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Magnesium atom in the Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1 (pdb code 6rp2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1, PDB code: 6rp2:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1 within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg604 b:10.0 occ:1.00 O L:HOH733 2.1 10.7 1.0 O L:CYS528 2.1 11.0 1.0 O L:HOH729 2.1 10.7 1.0 OE1 L:GLU57 2.1 10.4 1.0 O L:HOH724 2.1 11.1 1.0 NE2 L:HIS582 2.2 9.7 1.0 CD L:GLU57 3.1 10.6 1.0 CE1 L:HIS582 3.1 10.2 1.0 CD2 L:HIS582 3.2 10.5 1.0 C L:CYS528 3.3 10.0 1.0 OE2 L:GLU57 3.4 10.7 1.0 N L:CYS528 3.8 10.6 1.0 CA L:CYS528 4.0 10.8 1.0 OE2 L:GLU347 4.1 11.8 1.0 OE1 L:GLN527 4.1 12.0 1.0 OE1 L:GLU347 4.2 11.6 1.0 O L:HOH1028 4.3 11.1 1.0 NZ L:LYS399 4.3 11.3 1.0 ND1 L:HIS582 4.3 10.4 1.0 CB L:CYS528 4.3 10.8 1.0 O L:HOH811 4.3 10.7 1.0 N L:VAL529 4.3 10.2 1.0 CG L:HIS582 4.4 9.7 1.0 CG L:GLU57 4.4 10.5 1.0 CD L:LYS399 4.5 11.1 1.0 CD L:GLU347 4.5 10.9 1.0 CA L:VAL529 4.6 10.1 1.0 CE L:LYS399 4.6 11.2 1.0 C L:GLN527 4.9 10.4 1.0

Magnesium binding site 2 out of 2 in the Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Threonine to Cysteine (T225C) Variant of E Coli Hydrogenase-1 within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg603 b:9.8 occ:1.00 O M:HOH736 2.1 10.8 1.0 O M:HOH742 2.1 10.8 1.0 O M:CYS528 2.1 11.2 1.0 OE1 M:GLU57 2.1 10.8 1.0 O M:HOH730 2.1 10.6 1.0 NE2 M:HIS582 2.2 10.3 1.0 CE1 M:HIS582 3.1 10.3 1.0 CD M:GLU57 3.1 11.1 1.0 CD2 M:HIS582 3.2 10.4 1.0 C M:CYS528 3.3 11.0 1.0 OE2 M:GLU57 3.4 11.3 1.0 N M:CYS528 3.8 10.8 1.0 CA M:CYS528 4.0 10.9 1.0 OE2 M:GLU347 4.1 11.2 1.0 OE1 M:GLN527 4.2 12.7 1.0 OE1 M:GLU347 4.2 11.7 1.0 NZ M:LYS399 4.2 10.9 1.0 O M:HOH1044 4.3 11.0 1.0 ND1 M:HIS582 4.3 10.5 1.0 O M:HOH789 4.3 11.2 1.0 CB M:CYS528 4.3 10.5 1.0 N M:VAL529 4.3 10.9 1.0 CG M:HIS582 4.4 10.2 1.0 CG M:GLU57 4.5 11.0 1.0 CD M:LYS399 4.5 10.7 1.0 CD M:GLU347 4.6 11.1 1.0 CE M:LYS399 4.6 10.6 1.0 CA M:VAL529 4.7 11.0 1.0 C M:GLN527 4.9 10.6 1.0

L.Zhang, S.E.Beaton, S.B.Carr, F.A.Armstrong. Direct Visible Light Activation of A Surface Cysteine-Engineered [Nife]-Hydrogenase By Silver Nanoclusters Energy Environ Sci 2018.
ISSN: ESSN 1754-5706
DOI: 10.1039/C8EE02361A