Nickel in PDB 1qxj: Crystal Structure of Native Phosphoglucose Isomerase From Pyrococcus Furiosus

All present enzymatic activity of Crystal Structure of Native Phosphoglucose Isomerase From Pyrococcus Furiosus:
5.3.1.9;

The structure of Crystal Structure of Native Phosphoglucose Isomerase From Pyrococcus Furiosus, PDB code: 1qxj 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 (%)	19.4 / 24.9

The binding sites of Nickel atom in the Crystal Structure of Native Phosphoglucose Isomerase From Pyrococcus Furiosus (pdb code 1qxj). 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 Native Phosphoglucose Isomerase From Pyrococcus Furiosus, PDB code: 1qxj:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Crystal Structure of Native Phosphoglucose Isomerase From Pyrococcus Furiosus


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 Native Phosphoglucose Isomerase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni250 b:22.5 occ:1.00 OE2 A:GLU97 2.1 17.4 1.0 NE2 A:HIS136 2.1 19.7 1.0 NE2 A:HIS90 2.1 21.3 1.0 O A:HOH361 2.2 19.2 1.0 O A:HOH314 2.3 25.9 1.0 NE2 A:HIS88 2.3 23.3 1.0 CE1 A:HIS136 2.9 16.1 1.0 CD A:GLU97 3.0 19.7 1.0 CE1 A:HIS90 3.1 20.9 1.0 CD2 A:HIS90 3.1 20.6 1.0 CE1 A:HIS88 3.1 24.1 1.0 OE1 A:GLU97 3.3 20.8 1.0 CD2 A:HIS136 3.3 14.0 1.0 CD2 A:HIS88 3.3 20.1 1.0 ND1 A:HIS136 4.1 18.2 1.0 ND1 A:HIS90 4.2 20.2 1.0 CG A:HIS90 4.2 22.9 1.0 ND1 A:HIS88 4.3 24.1 1.0 CG A:HIS136 4.3 18.6 1.0 O A:HOH318 4.4 31.2 1.0 O A:HOH258 4.4 25.3 1.0 CG A:GLU97 4.4 16.6 1.0 CG A:HIS88 4.4 21.7 1.0 OH A:TYR99 4.4 22.2 1.0 CB A:GLU97 4.6 14.7 1.0

Nickel binding site 2 out of 2 in the Crystal Structure of Native Phosphoglucose Isomerase From Pyrococcus Furiosus


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 Native Phosphoglucose Isomerase From Pyrococcus Furiosus within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni251 b:20.0 occ:1.00 OE2 B:GLU97 2.0 17.3 1.0 NE2 B:HIS88 2.1 18.3 1.0 NE2 B:HIS90 2.2 13.5 1.0 NE2 B:HIS136 2.2 14.3 1.0 O B:HOH373 2.2 18.6 1.0 O B:HOH292 2.3 17.9 1.0 CD B:GLU97 3.0 17.9 1.0 CE1 B:HIS136 3.0 13.1 1.0 CE1 B:HIS88 3.0 19.9 1.0 CE1 B:HIS90 3.1 16.4 1.0 CD2 B:HIS90 3.1 17.4 1.0 CD2 B:HIS88 3.2 18.8 1.0 OE1 B:GLU97 3.2 22.3 1.0 CD2 B:HIS136 3.3 12.0 1.0 ND1 B:HIS88 4.2 22.6 1.0 ND1 B:HIS136 4.2 15.5 1.0 ND1 B:HIS90 4.2 17.0 1.0 CG B:HIS90 4.3 19.0 1.0 O B:HOH266 4.3 22.4 1.0 CG B:HIS88 4.3 19.5 1.0 CG B:HIS136 4.3 14.5 1.0 O B:HOH298 4.4 27.8 1.0 CG B:GLU97 4.4 14.5 1.0 OH B:TYR99 4.5 21.1 1.0 CB B:GLU97 4.7 13.0 1.0 CD2 B:HIS158 4.8 32.1 1.0

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