Magnesium in PDB 5lmm: Structure of E Coli Hydrogenase Hyd-1 Mutant E28Q

All present enzymatic activity of Structure of E Coli Hydrogenase Hyd-1 Mutant E28Q:
1.12.99.6;

The structure of Structure of E Coli Hydrogenase Hyd-1 Mutant E28Q, PDB code: 5lmm was solved by S.B.Carr, S.E.V.Phillips, R.M.Evans, E.J.Brooke, F.A.Armstrong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	91.74 / 1.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.981, 97.799, 183.474, 90.00, 90.00, 90.00
R / Rfree (%)	11.8 / 14.6

The structure of Structure of E Coli Hydrogenase Hyd-1 Mutant E28Q also contains other interesting chemical elements:

Nickel	(Ni)	2 atoms
Iron	(Fe)	26 atoms
Chlorine	(Cl)	3 atoms

The binding sites of Magnesium atom in the Structure of E Coli Hydrogenase Hyd-1 Mutant E28Q (pdb code 5lmm). 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 E Coli Hydrogenase Hyd-1 Mutant E28Q, PDB code: 5lmm:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of E Coli Hydrogenase Hyd-1 Mutant E28Q


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of E Coli Hydrogenase Hyd-1 Mutant E28Q within 5.0Å range: probe atom residue distance (Å) B Occ L:Mg604 b:6.4 occ:1.00 O L:HOH735 2.1 9.3 1.0 O L:HOH749 2.1 9.1 1.0 O L:CYS528 2.1 9.0 1.0 O L:HOH748 2.1 9.1 1.0 OE2 L:GLU57 2.2 8.1 1.0 NE2 L:HIS582 2.2 8.0 1.0 CE1 L:HIS582 3.1 8.0 1.0 CD L:GLU57 3.1 8.8 1.0 CD2 L:HIS582 3.2 8.6 1.0 C L:CYS528 3.3 8.4 1.0 OE1 L:GLU57 3.4 8.7 1.0 N L:CYS528 3.8 7.9 1.0 CA L:CYS528 4.0 8.9 1.0 OE2 L:GLU347 4.1 10.4 1.0 OE1 L:GLU347 4.2 10.6 1.0 OE1 L:GLN527 4.2 11.7 1.0 NZ L:LYS399 4.2 9.4 1.0 ND1 L:HIS582 4.3 8.8 1.0 O L:HOH990 4.3 8.7 1.0 O L:HOH822 4.3 8.6 1.0 CB L:CYS528 4.3 9.1 1.0 CG L:HIS582 4.4 8.4 1.0 N L:VAL529 4.4 8.5 1.0 CG L:GLU57 4.5 8.8 1.0 CD L:LYS399 4.5 9.8 1.0 CD L:GLU347 4.6 9.6 1.0 CA L:VAL529 4.7 8.3 1.0 CE L:LYS399 4.7 9.7 1.0 C L:GLN527 4.9 8.6 1.0

Magnesium binding site 2 out of 2 in the Structure of E Coli Hydrogenase Hyd-1 Mutant E28Q


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of E Coli Hydrogenase Hyd-1 Mutant E28Q within 5.0Å range: probe atom residue distance (Å) B Occ M:Mg603 b:6.5 occ:1.00 O M:HOH727 2.1 9.1 1.0 O M:HOH729 2.1 8.7 1.0 O M:CYS528 2.1 8.6 1.0 O M:HOH726 2.1 8.9 1.0 OE2 M:GLU57 2.2 8.5 1.0 NE2 M:HIS582 2.2 8.5 1.0 CD M:GLU57 3.1 8.5 1.0 CE1 M:HIS582 3.1 7.8 1.0 CD2 M:HIS582 3.2 8.5 1.0 C M:CYS528 3.3 7.9 1.0 OE1 M:GLU57 3.4 9.2 1.0 N M:CYS528 3.8 8.5 1.0 CA M:CYS528 4.0 8.1 1.0 OE2 M:GLU347 4.1 9.9 1.0 OE1 M:GLU347 4.2 10.3 1.0 OE1 M:GLN527 4.2 11.9 1.0 NZ M:LYS399 4.2 9.1 1.0 ND1 M:HIS582 4.3 8.6 1.0 O M:HOH1006 4.3 8.6 1.0 O M:HOH776 4.3 9.2 1.0 CB M:CYS528 4.3 8.8 1.0 CG M:HIS582 4.4 8.0 1.0 N M:VAL529 4.4 8.3 1.0 CG M:GLU57 4.5 9.5 1.0 CD M:LYS399 4.6 9.6 1.0 CD M:GLU347 4.6 9.9 1.0 CA M:VAL529 4.7 8.5 1.0 CE M:LYS399 4.7 9.5 1.0 C M:GLN527 4.9 7.8 1.0

S.B.Carr, S.E.V.Phillips, R.M.Evans, E.J.Brooke, S.T.A.Islam, G.M.Roberts, S.A.M.Wehlin, F.A.Armstrong. Kinetic Consequences of Re-Engineering the Outer Shell "Canopy" Above the Active Site of A [Nife]-Hydrogenase. To Be Published.