Sodium in PDB 3umc: Crystal Structure of the L-2-Haloacid Dehalogenase PA0810

All present enzymatic activity of Crystal Structure of the L-2-Haloacid Dehalogenase PA0810:
3.8.1.2;

The structure of Crystal Structure of the L-2-Haloacid Dehalogenase PA0810, PDB code: 3umc was solved by P.Petit, P.W.Y.Chan, A.Savchenko, A.F.Yakunin, E.A.Edwards, E.F.Pai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.38 / 2.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	73.424, 123.867, 125.599, 90.00, 90.97, 90.00
R / Rfree (%)	19 / 23.6

The structure of Crystal Structure of the L-2-Haloacid Dehalogenase PA0810 also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Sodium atom in the Crystal Structure of the L-2-Haloacid Dehalogenase PA0810 (pdb code 3umc). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of the L-2-Haloacid Dehalogenase PA0810, PDB code: 3umc:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of the L-2-Haloacid Dehalogenase PA0810


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of the L-2-Haloacid Dehalogenase PA0810 within 5.0Å range: probe atom residue distance (Å) B Occ C:Na235 b:37.3 occ:1.00 O C:HOH456 2.0 30.0 1.0 O C:HOH558 2.0 33.9 1.0 O C:HOH556 2.1 34.7 1.0 OE1 C:GLN46 2.2 24.1 1.0 CD C:GLN46 3.3 26.3 1.0 NE2 C:GLN46 3.7 21.9 1.0 O C:HOH270 4.1 24.1 1.0 OE1 C:GLU78 4.2 30.8 1.0 CG C:GLN46 4.6 31.7 1.0 CA C:GLN46 4.6 33.5 1.0 OE2 C:GLU78 4.6 32.6 1.0 CB C:GLN46 4.7 32.6 1.0 CD C:GLU78 4.7 38.5 1.0 O C:ARG42 4.9 33.3 1.0 N C:GLN46 5.0 34.9 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of the L-2-Haloacid Dehalogenase PA0810


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of the L-2-Haloacid Dehalogenase PA0810 within 5.0Å range: probe atom residue distance (Å) B Occ D:Na235 b:45.3 occ:1.00 O D:HOH557 2.0 43.5 1.0 OE1 D:GLN46 2.0 36.5 1.0 O D:HOH555 2.1 39.2 1.0 O D:HOH457 2.1 36.5 1.0 CD D:GLN46 3.0 36.3 1.0 NE2 D:GLN46 3.6 34.5 1.0 CA D:GLN46 4.2 36.7 1.0 CG D:GLN46 4.3 36.6 1.0 OE2 D:GLU78 4.3 41.1 1.0 O D:HOH407 4.3 37.2 1.0 CB D:GLN46 4.3 36.5 1.0 O D:HOH447 4.4 36.0 1.0 OE1 D:GLU78 4.4 40.9 1.0 N D:GLN46 4.7 36.8 1.0 O D:ARG42 4.7 41.0 1.0 CD D:GLU78 4.7 42.3 1.0 CD2 D:LEU75 4.8 44.1 1.0

P.W.Y.Chan, T.K.W.To, P.Petit, C.Tran, M.Waelti, A.Savchenko, A.F.Yakunin, E.A.Edwards, E.F.Pai. Structural Adaptations of L-2-Haloacid Dehalogenases That Enable Hydrolytic Defluorination To Be Published.