Nickel in PDB 1fwg: Klebsiella Aerogenes Urease, C319S Variant

All present enzymatic activity of Klebsiella Aerogenes Urease, C319S Variant:
3.5.1.5;

The structure of Klebsiella Aerogenes Urease, C319S Variant, PDB code: 1fwg was solved by M.A.Pearson, P.A.Karplus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.00
Space group	I 21 3
Cell size a, b, c (Å), α, β, γ (°)	170.800, 170.800, 170.800, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / n/a

The binding sites of Nickel atom in the Klebsiella Aerogenes Urease, C319S Variant (pdb code 1fwg). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Klebsiella Aerogenes Urease, C319S Variant, PDB code: 1fwg:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Klebsiella Aerogenes Urease, C319S Variant


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Klebsiella Aerogenes Urease, C319S Variant within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni574 b:17.0 occ:0.57 OQ1 C:KCX217 2.0 20.3 1.0 ND1 C:HIS246 2.2 21.3 1.0 O C:HOH803 2.2 20.0 0.5 NE2 C:HIS272 2.2 13.4 1.0 O C:HOH802 2.3 20.0 0.8 CE1 C:HIS246 3.0 21.2 1.0 CX C:KCX217 3.1 19.5 1.0 CD2 C:HIS272 3.1 18.6 1.0 CG C:HIS246 3.2 19.3 1.0 CE1 C:HIS272 3.2 16.9 1.0 O C:GLY277 3.3 21.1 1.0 OQ2 C:KCX217 3.4 17.2 1.0 NE2 C:HIS219 3.5 25.7 1.0 CB C:HIS246 3.6 17.9 1.0 NI C:NI575 3.7 17.0 0.6 O C:HOH804 3.7 20.0 0.8 O C:HOH718 3.8 41.8 1.0 CD2 C:HIS219 4.0 23.1 1.0 NE2 C:HIS246 4.1 25.6 1.0 CD2 C:HIS246 4.2 21.8 1.0 NZ C:KCX217 4.3 20.9 1.0 CG C:HIS272 4.3 20.2 1.0 ND1 C:HIS272 4.3 22.7 1.0 CE1 C:HIS134 4.3 17.1 1.0 NE2 C:HIS134 4.4 18.1 1.0 C C:GLY277 4.4 21.2 1.0 CE1 C:HIS219 4.5 21.3 1.0 OD2 C:ASP360 4.5 20.6 1.0 CE C:KCX217 4.7 19.5 1.0 CA C:HIS246 4.9 18.2 1.0

Nickel binding site 2 out of 2 in the Klebsiella Aerogenes Urease, C319S Variant


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Klebsiella Aerogenes Urease, C319S Variant within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni575 b:17.0 occ:0.57 O C:HOH802 1.7 20.0 0.8 OQ2 C:KCX217 2.0 17.2 1.0 OD1 C:ASP360 2.1 20.0 1.0 NE2 C:HIS136 2.3 15.9 1.0 O C:HOH804 2.3 20.0 0.8 NE2 C:HIS134 2.4 18.1 1.0 CG C:ASP360 3.0 18.4 1.0 CX C:KCX217 3.0 19.5 1.0 O C:HOH803 3.1 20.0 0.5 CD2 C:HIS136 3.1 14.8 1.0 CD2 C:HIS134 3.2 17.3 1.0 CE1 C:HIS134 3.3 17.1 1.0 OD2 C:ASP360 3.4 20.6 1.0 CE1 C:HIS136 3.4 19.6 1.0 OQ1 C:KCX217 3.4 20.3 1.0 NI C:NI574 3.7 17.0 0.6 CG2 C:THR169 4.1 12.2 1.0 NZ C:KCX217 4.1 20.9 1.0 CB C:ASP360 4.3 12.9 1.0 CG C:HIS136 4.3 15.3 1.0 CG C:HIS134 4.4 18.5 1.0 ND1 C:HIS134 4.4 21.0 1.0 ND1 C:HIS136 4.4 17.5 1.0 O C:ALA363 4.5 25.6 1.0 O C:ALA167 4.5 18.4 1.0 O C:HOH718 4.5 41.8 1.0 CA C:ASP360 4.5 12.4 1.0 CB C:ALA363 4.6 20.8 1.0 NE2 C:HIS219 4.9 25.7 1.0

M.A.Pearson, L.O.Michel, R.P.Hausinger, P.A.Karplus. Structures of CYS319 Variants and Acetohydroxamate-Inhibited Klebsiella Aerogenes Urease. Biochemistry V. 36 8164 1997.
ISSN: ISSN 0006-2960
PubMed: 9201965
DOI: 10.1021/BI970514J