Potassium in PDB 1uc4: Structure of Diol Dehydratase Complexed with (S)-1,2- Propanediol

All present enzymatic activity of Structure of Diol Dehydratase Complexed with (S)-1,2- Propanediol:
4.2.1.28;

The structure of Structure of Diol Dehydratase Complexed with (S)-1,2- Propanediol, PDB code: 1uc4 was solved by N.Shibata, Y.Nakanishi, M.Fukuoka, M.Yamanishi, N.Yasuoka, T.Toraya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.92 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.830, 121.950, 208.240, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 23

The structure of Structure of Diol Dehydratase Complexed with (S)-1,2- Propanediol also contains other interesting chemical elements:

Cobalt

(Co)

2 atoms

The binding sites of Potassium atom in the Structure of Diol Dehydratase Complexed with (S)-1,2- Propanediol (pdb code 1uc4). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Structure of Diol Dehydratase Complexed with (S)-1,2- Propanediol, PDB code: 1uc4:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Structure of Diol Dehydratase Complexed with (S)-1,2- Propanediol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of Diol Dehydratase Complexed with (S)-1,2- Propanediol within 5.0Å range: probe atom residue distance (Å) B Occ A:K2603 b:15.7 occ:1.00 OE1 A:GLU221 2.2 15.6 1.0 O A:SER362 2.4 17.7 1.0 OE1 A:GLN296 2.4 13.9 1.0 OE1 A:GLU170 2.4 14.8 1.0 OE1 A:GLN141 2.4 14.0 1.0 O1 A:PGO2602 2.5 14.2 1.0 O2 A:PGO2602 2.6 15.8 1.0 C1 A:PGO2602 3.2 16.7 1.0 CD A:GLU221 3.3 16.0 1.0 C2 A:PGO2602 3.3 16.6 1.0 CD A:GLU170 3.4 14.7 1.0 CD A:GLN296 3.4 15.0 1.0 C A:SER362 3.5 16.7 1.0 CD A:GLN141 3.6 15.5 1.0 OE2 A:GLU170 3.6 16.3 1.0 OE2 A:GLU221 3.7 16.3 1.0 NE2 A:GLN296 3.8 14.9 1.0 NE2 A:HIS143 4.0 14.0 1.0 CB A:SER362 4.1 16.4 1.0 NE2 A:GLN141 4.1 13.3 1.0 OD2 A:ASP335 4.2 16.0 1.0 OG A:SER362 4.2 17.3 1.0 NE2 A:GLN200 4.2 14.6 1.0 CA A:SER362 4.3 14.3 1.0 N A:GLY363 4.4 18.2 1.0 CD2 A:HIS143 4.4 15.1 1.0 CG A:GLU221 4.5 14.7 1.0 CA A:GLY363 4.5 17.2 1.0 CG A:GLU170 4.7 14.4 1.0 C3 A:PGO2602 4.7 16.8 1.0 CG A:GLN296 4.8 15.4 1.0 CG A:GLN141 4.8 13.7 1.0 CB A:GLU170 4.8 13.7 1.0

Potassium binding site 2 out of 2 in the Structure of Diol Dehydratase Complexed with (S)-1,2- Propanediol


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of Diol Dehydratase Complexed with (S)-1,2- Propanediol within 5.0Å range: probe atom residue distance (Å) B Occ L:K3603 b:20.5 occ:1.00 O L:SER362 2.3 18.8 1.0 OE1 L:GLN296 2.3 19.0 1.0 OE1 L:GLU221 2.4 22.4 1.0 OE1 L:GLU170 2.4 22.3 1.0 OE1 L:GLN141 2.4 16.8 1.0 O1 L:PGO3602 2.5 23.7 1.0 O2 L:PGO3602 2.6 22.9 1.0 CD L:GLU221 3.4 20.0 1.0 CD L:GLN296 3.4 19.4 1.0 C1 L:PGO3602 3.4 24.9 1.0 CD L:GLU170 3.4 24.1 1.0 C L:SER362 3.4 17.7 1.0 C2 L:PGO3602 3.4 24.7 1.0 CD L:GLN141 3.6 18.0 1.0 OE2 L:GLU170 3.7 24.7 1.0 OE2 L:GLU221 3.8 20.0 1.0 NE2 L:GLN296 3.8 19.2 1.0 NE2 L:HIS143 3.9 21.7 1.0 CB L:SER362 4.0 16.5 1.0 OG L:SER362 4.1 18.7 1.0 NE2 L:GLN141 4.1 20.1 1.0 OD2 L:ASP335 4.2 19.5 1.0 CA L:SER362 4.2 16.8 1.0 N L:GLY363 4.3 19.5 1.0 NE2 L:GLN200 4.4 25.9 1.0 CA L:GLY363 4.4 20.8 1.0 CD2 L:HIS143 4.5 21.6 1.0 CG L:GLU221 4.6 20.7 1.0 CG L:GLN296 4.7 18.6 1.0 CG L:GLU170 4.7 24.4 1.0 CG L:GLN141 4.8 18.6 1.0 C3 L:PGO3602 4.8 24.7 1.0 CB L:GLU170 4.8 24.0 1.0

N.Shibata, Y.Nakanishi, M.Fukuoka, M.Yamanishi, N.Yasuoka, T.Toraya. Structural Rationalization For the Lack of Stereospecificity in Coenzyme B12-Dependent Diol Dehydratase J.Biol.Chem. V. 278 22717 2003.
ISSN: ISSN 0021-9258
PubMed: 12684496
DOI: 10.1074/JBC.M301513200