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Nickel in PDB 1fwj: Klebsiella Aerogenes Urease, Native

Enzymatic activity of Klebsiella Aerogenes Urease, Native

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

Protein crystallography data

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

Nickel Binding Sites:

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 1fwj

Go back to Nickel Binding Sites List in 1fwj
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 1fwj

Go back to Nickel Binding Sites List in 1fwj
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

Reference:

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
Page generated: Fri Sep 25 07:53:27 2020
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