Nickel in PDB 1fwj: Klebsiella Aerogenes Urease, Native

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

The structure of Klebsiella Aerogenes Urease, Native, PDB code: 1fwj 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)	N/A / 2.20
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 (%)	17.3 / n/a

The binding sites of Nickel atom in the Klebsiella Aerogenes Urease, Native (pdb code 1fwj). 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, Native, PDB code: 1fwj:
Jump to Nickel binding site number: 1; 2;

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


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, Native within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni574 b:17.9 occ:1.00 ND1 C:HIS246 2.0 10.8 1.0 OQ1 C:KCX217 2.1 4.4 1.0 O C:HOH726 2.1 20.0 0.8 O C:HOH725 2.2 20.0 0.9 NE2 C:HIS272 2.3 5.9 1.0 CE1 C:HIS246 2.8 10.9 1.0 CX C:KCX217 3.1 4.7 1.0 CD2 C:HIS272 3.1 6.2 1.0 CG C:HIS246 3.2 10.5 1.0 CE1 C:HIS272 3.3 6.0 1.0 OQ2 C:KCX217 3.3 4.2 1.0 O C:GLY277 3.4 8.0 1.0 O C:HOH727 3.4 20.0 1.2 O C:HOH719 3.5 33.3 1.0 NE2 C:HIS219 3.6 10.3 1.0 NI C:NI575 3.6 17.0 1.0 CB C:HIS246 3.8 10.3 1.0 NE2 C:HIS246 4.0 11.3 1.0 CD2 C:HIS219 4.1 9.5 1.0 CD2 C:HIS246 4.2 10.5 1.0 NZ C:KCX217 4.3 5.6 1.0 CE1 C:HIS134 4.3 5.5 1.0 CG C:HIS272 4.3 6.6 1.0 ND1 C:HIS272 4.4 6.8 1.0 C C:GLY277 4.4 8.9 1.0 CE1 C:HIS219 4.5 9.8 1.0 NE2 C:HIS134 4.5 5.6 1.0 OD2 C:ASP360 4.6 7.8 1.0 CE C:KCX217 4.8 5.7 1.0 CE1 C:HIS320 4.8 46.0 1.0 CA C:HIS246 4.9 10.0 1.0

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


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, Native within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni575 b:17.0 occ:1.00 O C:HOH725 2.0 20.0 0.9 OQ2 C:KCX217 2.1 4.2 1.0 O C:HOH727 2.1 20.0 1.2 NE2 C:HIS136 2.2 4.6 1.0 OD1 C:ASP360 2.2 7.3 1.0 NE2 C:HIS134 2.3 5.6 1.0 CG C:ASP360 3.1 7.1 1.0 CX C:KCX217 3.1 4.7 1.0 CE1 C:HIS136 3.1 5.0 1.0 CE1 C:HIS134 3.1 5.5 1.0 CD2 C:HIS136 3.2 4.4 1.0 CD2 C:HIS134 3.3 5.8 1.0 OD2 C:ASP360 3.4 7.8 1.0 O C:HOH726 3.5 20.0 0.8 OQ1 C:KCX217 3.5 4.4 1.0 NI C:NI574 3.6 17.9 1.0 O C:HOH719 4.1 33.3 1.0 NZ C:KCX217 4.2 5.6 1.0 ND1 C:HIS136 4.2 4.5 1.0 CG2 C:THR169 4.2 6.5 1.0 ND1 C:HIS134 4.3 6.1 1.0 CG C:HIS136 4.3 4.5 1.0 O C:ALA363 4.3 9.9 1.0 CB C:ASP360 4.3 6.4 1.0 CG C:HIS134 4.4 6.0 1.0 CB C:ALA363 4.5 8.3 1.0 O C:ALA167 4.5 6.1 1.0 CA C:ASP360 4.6 6.7 1.0 NE2 C:HIS219 4.9 10.3 1.0 CD2 C:HIS272 5.0 6.2 1.0 NE2 C:HIS272 5.0 5.9 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