Nickel in PDB 2kau: The Crystal Structure of Urease From Klebsiella Aerogenes at 2.2 Angstroms Resolution

All present enzymatic activity of The Crystal Structure of Urease From Klebsiella Aerogenes at 2.2 Angstroms Resolution:
3.5.1.5;

The structure of The Crystal Structure of Urease From Klebsiella Aerogenes at 2.2 Angstroms Resolution, PDB code: 2kau was solved by E.Jabri, M.B.Carr, R.P.Hausinger, 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 (%)	18.5 / 22.5

The binding sites of Nickel atom in the The Crystal Structure of Urease From Klebsiella Aerogenes at 2.2 Angstroms Resolution (pdb code 2kau). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the The Crystal Structure of Urease From Klebsiella Aerogenes at 2.2 Angstroms Resolution, PDB code: 2kau:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the The Crystal Structure of Urease From Klebsiella Aerogenes at 2.2 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of The Crystal Structure of Urease From Klebsiella Aerogenes at 2.2 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni774 b:13.9 occ:1.00 OQ2 C:KCX217 2.0 6.1 1.0 ND1 C:HIS246 2.2 6.0 1.0 NE2 C:HIS272 2.3 4.1 1.0 CE1 C:HIS246 3.0 6.1 1.0 CX C:KCX217 3.0 5.9 1.0 CD2 C:HIS272 3.1 4.3 1.0 OQ1 C:KCX217 3.3 6.0 1.0 CG C:HIS246 3.3 5.9 1.0 CE1 C:HIS272 3.4 4.2 1.0 O C:GLY277 3.4 6.5 1.0 NI C:NI775 3.5 14.7 1.0 NE2 C:HIS219 3.7 6.1 1.0 CB C:HIS246 3.8 6.0 1.0 CD2 C:HIS219 4.0 6.0 1.0 NE2 C:HIS246 4.2 6.0 1.0 CE1 C:HIS134 4.2 3.1 1.0 NZ C:KCX217 4.2 5.8 1.0 NE2 C:HIS134 4.3 3.2 1.0 CG C:HIS272 4.3 4.4 1.0 CD2 C:HIS246 4.3 5.9 1.0 ND1 C:HIS272 4.4 4.5 1.0 C C:GLY277 4.4 6.8 1.0 OD2 C:ASP360 4.5 4.3 1.0 CE1 C:HIS320 4.7 51.3 1.0 CE1 C:HIS219 4.7 6.1 1.0 CE C:KCX217 4.8 5.5 1.0

Nickel binding site 2 out of 2 in the The Crystal Structure of Urease From Klebsiella Aerogenes at 2.2 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of The Crystal Structure of Urease From Klebsiella Aerogenes at 2.2 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni775 b:14.7 occ:1.00 NE2 C:HIS136 2.2 2.9 1.0 OD1 C:ASP360 2.2 4.3 1.0 OQ1 C:KCX217 2.2 6.0 1.0 NE2 C:HIS134 2.3 3.2 1.0 CG C:ASP360 3.0 4.3 1.0 CE1 C:HIS136 3.1 2.9 1.0 CX C:KCX217 3.2 5.9 1.0 CD2 C:HIS136 3.2 2.7 1.0 CE1 C:HIS134 3.2 3.1 1.0 CD2 C:HIS134 3.3 3.0 1.0 OD2 C:ASP360 3.3 4.3 1.0 NI C:NI774 3.5 13.9 1.0 OQ2 C:KCX217 3.5 6.1 1.0 ND1 C:HIS136 4.2 2.8 1.0 CG2 C:THR169 4.2 4.7 1.0 O C:ALA363 4.2 5.5 1.0 NZ C:KCX217 4.3 5.8 1.0 CG C:HIS136 4.3 2.7 1.0 ND1 C:HIS134 4.3 3.2 1.0 CB C:ASP360 4.4 4.0 1.0 CG C:HIS134 4.4 3.1 1.0 O C:ALA167 4.4 4.4 1.0 CB C:ALA363 4.5 4.8 1.0 CA C:ASP360 4.7 4.0 1.0 CD2 C:HIS272 5.0 4.3 1.0

E.Jabri, M.B.Carr, R.P.Hausinger, P.A.Karplus. The Crystal Structure of Urease From Klebsiella Aerogenes. Science V. 268 998 1995.
ISSN: ISSN 0036-8075
PubMed: 7754395