Tungsten in PDB 6fmx: Imisx-Ep of W-Pgpb

All present enzymatic activity of Imisx-Ep of W-Pgpb:
3.1.3.27;

The structure of Imisx-Ep of W-Pgpb, PDB code: 6fmx was solved by C.-Y.Huang, V.Olieric, N.Howe, R.Warshamanage, T.Weinert, E.Panepucci, L.Vogeley, S.Basu, K.Diederichs, M.Caffrey, M.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.61 / 1.79
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.757, 76.801, 98.912, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 26.2

The binding sites of Tungsten atom in the Imisx-Ep of W-Pgpb (pdb code 6fmx). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 2 binding sites of Tungsten where determined in the Imisx-Ep of W-Pgpb, PDB code: 6fmx:
Jump to Tungsten binding site number: 1; 2;

Tungsten binding site 1 out of 2 in the Imisx-Ep of W-Pgpb


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Imisx-Ep of W-Pgpb within 5.0Å range: probe atom residue distance (Å) B Occ A:W306 b:32.0 occ:0.60 W A:WO4306 0.0 32.0 0.6 O4 A:WO4306 2.0 26.6 0.6 O2 A:WO4306 2.0 25.4 0.6 O3 A:WO4306 2.0 29.6 0.6 O1 A:WO4306 2.0 23.6 0.6 O4 A:WO4306 2.6 43.0 0.4 NE2 A:HIS171 2.6 27.9 1.0 O2 A:WO4306 3.1 31.7 0.4 CE1 A:HIS171 3.2 27.3 1.0 W A:WO4306 3.3 67.0 0.4 N A:GLY120 3.6 26.4 1.0 NH2 A:ARG165 3.7 29.9 1.0 NH2 A:ARG103 3.8 36.1 1.0 CD2 A:HIS171 3.8 25.3 1.0 ND1 A:HIS121 3.8 30.9 1.0 NZ A:LYS96 4.0 36.1 1.0 N A:HIS121 4.0 26.6 1.0 NH1 A:ARG103 4.0 30.9 1.0 CA A:GLY120 4.2 28.9 1.0 O3 A:WO4306 4.2 46.0 0.4 CZ A:ARG103 4.4 32.9 1.0 OG A:SER119 4.4 24.2 1.0 NE A:ARG165 4.4 27.6 1.0 CZ A:ARG165 4.5 30.5 1.0 ND1 A:HIS171 4.5 27.5 1.0 C A:SER119 4.5 26.1 1.0 CE1 A:HIS121 4.6 27.3 1.0 C A:GLY120 4.6 28.0 1.0 CA A:SER119 4.6 23.9 1.0 CG A:HIS121 4.7 27.2 1.0 CG A:HIS171 4.8 26.8 1.0 CB A:HIS121 4.8 27.6 1.0

Tungsten binding site 2 out of 2 in the Imisx-Ep of W-Pgpb


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Imisx-Ep of W-Pgpb within 5.0Å range: probe atom residue distance (Å) B Occ A:W306 b:67.0 occ:0.40 W A:WO4306 0.0 67.0 0.4 O3 A:WO4306 1.4 29.6 0.6 O2 A:WO4306 2.0 31.7 0.4 O4 A:WO4306 2.0 43.0 0.4 O3 A:WO4306 2.0 46.0 0.4 O1 A:WO4306 2.1 55.7 0.4 W A:WO4306 3.3 32.0 0.6 O2 A:WO4306 4.0 25.4 0.6 NZ A:LYS96 4.1 36.1 1.0 NH2 A:ARG89 4.1 49.4 1.0 ND1 A:HIS121 4.2 30.9 1.0 NH1 A:ARG89 4.4 39.2 1.0 CE1 A:HIS121 4.4 27.3 1.0 O1 A:WO4306 4.5 23.6 0.6 CA A:GLY120 4.6 28.9 1.0 CZ A:ARG89 4.7 42.8 1.0 O4 A:WO4306 4.7 26.6 0.6 N A:HIS121 4.9 26.6 1.0 N A:GLY120 5.0 26.4 1.0 OG A:SER114 5.0 38.9 1.0

C.Y.Huang, V.Olieric, N.Howe, R.Warshamanage, T.Weinert, E.Panepucci, L.Vogeley, S.Basu, K.Diederichs, M.Caffrey, M.Wang. In Situ Serial Crystallography For Rapid De Novo Membrane Protein Structure Determination. Commun Biol V. 1 124 2018.
ISSN: ESSN 2399-3642
PubMed: 30272004
DOI: 10.1038/S42003-018-0123-6