Nickel in PDB 1qy4: Crystal Structure of Phosphoglucose Isomerase From Pyrococcus Furiosus in Complex with Gluconate 6-Phosphate

All present enzymatic activity of Crystal Structure of Phosphoglucose Isomerase From Pyrococcus Furiosus in Complex with Gluconate 6-Phosphate:
5.3.1.9;

The structure of Crystal Structure of Phosphoglucose Isomerase From Pyrococcus Furiosus in Complex with Gluconate 6-Phosphate, PDB code: 1qy4 was solved by M.K.Swan, J.T.G.Solomons, C.C.Beeson, T.Hansen, P.Schonheit, C.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	36.000, 39.700, 74.700, 73.70, 78.50, 72.60
R / Rfree (%)	21.8 / 26.6

The binding sites of Nickel atom in the Crystal Structure of Phosphoglucose Isomerase From Pyrococcus Furiosus in Complex with Gluconate 6-Phosphate (pdb code 1qy4). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of Phosphoglucose Isomerase From Pyrococcus Furiosus in Complex with Gluconate 6-Phosphate, PDB code: 1qy4:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Crystal Structure of Phosphoglucose Isomerase From Pyrococcus Furiosus in Complex with Gluconate 6-Phosphate


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Phosphoglucose Isomerase From Pyrococcus Furiosus in Complex with Gluconate 6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni210 b:42.9 occ:1.00 OE2 A:GLU97 1.6 40.5 1.0 NE2 A:HIS88 2.2 38.8 1.0 O1A A:6PG300 2.2 31.5 0.8 NE2 A:HIS136 2.3 35.4 1.0 CD A:GLU97 2.4 34.5 1.0 O2 A:6PG300 2.4 27.9 0.8 OE1 A:GLU97 2.6 36.6 1.0 CE1 A:HIS88 2.9 37.7 1.0 CE1 A:HIS136 3.0 33.1 1.0 C1 A:6PG300 3.1 31.7 0.8 C2 A:6PG300 3.2 27.2 0.8 NE2 A:HIS90 3.2 38.0 1.0 CD2 A:HIS88 3.4 36.5 1.0 CD2 A:HIS136 3.5 30.2 1.0 CD2 A:HIS90 3.8 37.6 1.0 CG A:GLU97 3.8 29.6 1.0 ND1 A:HIS88 4.1 39.3 1.0 ND1 A:HIS136 4.2 30.7 1.0 OH A:TYR99 4.3 35.5 1.0 CE1 A:HIS90 4.3 38.1 1.0 O1 A:6PG300 4.3 29.3 0.8 CD2 A:HIS158 4.3 41.1 1.0 CG A:HIS88 4.4 36.6 1.0 CG A:HIS136 4.5 29.6 1.0 C3 A:6PG300 4.6 29.7 0.8 NE2 A:HIS158 4.7 42.9 1.0 O4 A:6PG300 4.8 32.9 0.8 C4 A:6PG300 4.8 30.9 0.8 CB A:GLU97 4.8 25.1 1.0

Nickel binding site 2 out of 2 in the Crystal Structure of Phosphoglucose Isomerase From Pyrococcus Furiosus in Complex with Gluconate 6-Phosphate


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of Phosphoglucose Isomerase From Pyrococcus Furiosus in Complex with Gluconate 6-Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni211 b:36.8 occ:1.00 OE1 B:GLU97 1.4 34.3 1.0 O1A B:6PG301 2.1 30.4 0.8 NE2 B:HIS88 2.2 29.8 1.0 NE2 B:HIS136 2.2 30.7 1.0 O2 B:6PG301 2.4 20.2 0.8 CD B:GLU97 2.5 28.0 1.0 NE2 B:HIS90 2.8 35.5 1.0 OE2 B:GLU97 2.9 33.4 1.0 CE1 B:HIS88 3.0 28.5 1.0 C1 B:6PG301 3.0 28.8 0.8 CE1 B:HIS136 3.1 26.0 1.0 C2 B:6PG301 3.2 27.4 0.8 CD2 B:HIS88 3.2 25.1 1.0 CD2 B:HIS136 3.3 23.6 1.0 CD2 B:HIS90 3.5 35.8 1.0 CG B:GLU97 3.8 26.7 1.0 CE1 B:HIS90 3.8 37.7 1.0 ND1 B:HIS88 4.1 31.6 1.0 O B:HOH314 4.2 38.2 1.0 O1 B:6PG301 4.2 30.2 0.8 ND1 B:HIS136 4.2 25.4 1.0 CG B:HIS88 4.3 29.2 1.0 OH B:TYR99 4.3 27.3 1.0 CD2 B:HIS158 4.4 40.0 1.0 CG B:HIS136 4.4 24.6 1.0 NE2 B:HIS158 4.4 44.2 1.0 C3 B:6PG301 4.6 27.8 0.8 CG B:HIS90 4.8 36.2 1.0 O4 B:6PG301 4.8 32.1 0.8 ND1 B:HIS90 4.8 37.8 1.0 CB B:GLU97 4.9 22.1 1.0 C4 B:6PG301 4.9 28.1 0.8

M.K.Swan, J.T.G.Solomons, C.C.Beeson, T.Hansen, P.Schonheit, C.Davies. Structural Evidence For A Hydride Transfer Mechanism of Catalysis in Phosphoglucose Isomerase From Pyrococcus Furiosus J.Biol.Chem. V. 278 47261 2003.
ISSN: ISSN 0021-9258
PubMed: 12970347
DOI: 10.1074/JBC.M308603200