Nickel in PDB 1fwe: Klebsiella Aerogenes Urease, C319A Variant with Acetohydroxamic Acid (Aha) Bound

All present enzymatic activity of Klebsiella Aerogenes Urease, C319A Variant with Acetohydroxamic Acid (Aha) Bound:
3.5.1.5;

The structure of Klebsiella Aerogenes Urease, C319A Variant with Acetohydroxamic Acid (Aha) Bound, PDB code: 1fwe 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 (%)	20.4 / n/a

The binding sites of Nickel atom in the Klebsiella Aerogenes Urease, C319A Variant with Acetohydroxamic Acid (Aha) Bound (pdb code 1fwe). 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, C319A Variant with Acetohydroxamic Acid (Aha) Bound, PDB code: 1fwe:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Klebsiella Aerogenes Urease, C319A Variant with Acetohydroxamic Acid (Aha) Bound


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, C319A Variant with Acetohydroxamic Acid (Aha) Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni574 b:22.8 occ:1.00 O2 C:HAE989 2.0 23.9 1.0 OQ1 C:KCX217 2.1 13.2 1.0 ND1 C:HIS246 2.2 15.4 1.0 NE2 C:HIS272 2.3 2.2 1.0 O C:HAE989 2.6 29.0 1.0 C2 C:HAE989 2.8 27.3 1.0 N C:HAE989 3.0 28.1 1.0 CE1 C:HIS246 3.0 15.2 1.0 CX C:KCX217 3.1 14.1 1.0 CD2 C:HIS272 3.1 7.1 1.0 CG C:HIS246 3.3 13.2 1.0 CE1 C:HIS272 3.4 4.4 1.0 OQ2 C:KCX217 3.4 13.0 1.0 O C:GLY277 3.4 7.4 1.0 NE2 C:HIS219 3.7 11.9 1.0 NI C:NI575 3.7 22.3 1.0 CB C:HIS246 3.7 11.1 1.0 CD2 C:HIS219 4.0 10.2 1.0 C1 C:HAE989 4.1 25.9 1.0 NE2 C:HIS246 4.2 15.0 1.0 NZ C:KCX217 4.3 12.1 1.0 CD2 C:HIS246 4.3 14.0 1.0 CG C:HIS272 4.3 10.0 1.0 C C:GLY277 4.4 13.0 1.0 ND1 C:HIS272 4.4 11.0 1.0 NE2 C:HIS134 4.4 9.4 1.0 CE1 C:HIS134 4.5 11.8 1.0 CE1 C:HIS219 4.7 12.9 1.0 CE C:KCX217 4.8 10.6 1.0 OD2 C:ASP360 4.8 12.3 1.0 CA C:HIS246 4.9 9.7 1.0

Nickel binding site 2 out of 2 in the Klebsiella Aerogenes Urease, C319A Variant with Acetohydroxamic Acid (Aha) Bound


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, C319A Variant with Acetohydroxamic Acid (Aha) Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni575 b:22.3 occ:1.00 O C:HAE989 1.8 29.0 1.0 OQ2 C:KCX217 2.1 13.0 1.0 OD1 C:ASP360 2.2 9.3 1.0 NE2 C:HIS136 2.2 8.5 1.0 NE2 C:HIS134 2.4 9.4 1.0 N C:HAE989 2.6 28.1 1.0 CD2 C:HIS136 3.0 3.6 1.0 CX C:KCX217 3.1 14.1 1.0 CD2 C:HIS134 3.1 11.1 1.0 CG C:ASP360 3.2 9.1 1.0 CE1 C:HIS136 3.3 8.1 1.0 CE1 C:HIS134 3.4 11.8 1.0 C2 C:HAE989 3.5 27.3 1.0 OQ1 C:KCX217 3.5 13.2 1.0 OD2 C:ASP360 3.6 12.3 1.0 NI C:NI574 3.7 22.8 1.0 CG2 C:THR169 3.8 3.8 1.0 O2 C:HAE989 3.8 23.9 1.0 NZ C:KCX217 4.2 12.1 1.0 CG C:HIS136 4.2 4.5 1.0 CG C:HIS134 4.3 9.5 1.0 CB C:ASP360 4.3 11.1 1.0 ND1 C:HIS136 4.3 7.1 1.0 O C:ALA363 4.4 26.3 1.0 ND1 C:HIS134 4.4 12.4 1.0 CB C:ALA363 4.5 9.2 1.0 CA C:ASP360 4.5 11.7 1.0 O C:ALA167 4.6 6.1 1.0 C1 C:HAE989 4.7 25.9 1.0 N C:THR169 4.9 8.7 1.0 CB C:THR169 5.0 4.7 1.0 CD2 C:PHE271 5.0 9.2 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