Nickel in PDB 4goa: Crystal Structure of Jack Bean Urease Inhibited with Fluoride

All present enzymatic activity of Crystal Structure of Jack Bean Urease Inhibited with Fluoride:
3.5.1.5;

The structure of Crystal Structure of Jack Bean Urease Inhibited with Fluoride, PDB code: 4goa was solved by A.Balasubramania, K.Ponnuraj, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.92 / 2.20
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	139.490, 139.490, 198.081, 90.00, 90.00, 120.00
R / Rfree (%)	16.1 / 21

The structure of Crystal Structure of Jack Bean Urease Inhibited with Fluoride also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Nickel atom in the Crystal Structure of Jack Bean Urease Inhibited with Fluoride (pdb code 4goa). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of Jack Bean Urease Inhibited with Fluoride, PDB code: 4goa:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Crystal Structure of Jack Bean Urease Inhibited with Fluoride


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Jack Bean Urease Inhibited with Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni901 b:5.0 occ:0.95 F A:F904 2.1 11.3 1.0 OD1 A:ASP633 2.1 11.6 1.0 NE2 A:HIS409 2.1 3.9 1.0 NE2 A:HIS407 2.2 4.6 1.0 O A:HOH1002 2.3 9.2 1.0 OQ1 A:KCX490 2.3 6.9 1.0 CE1 A:HIS409 3.0 4.5 1.0 CG A:ASP633 3.1 9.1 1.0 CE1 A:HIS407 3.1 9.6 1.0 CD2 A:HIS409 3.1 3.0 1.0 CD2 A:HIS407 3.2 6.0 1.0 CX A:KCX490 3.3 11.7 1.0 OD2 A:ASP633 3.5 10.3 1.0 OQ2 A:KCX490 3.6 6.2 1.0 NI A:NI902 3.6 9.4 1.0 F A:F903 3.7 15.4 1.0 O A:HOH1005 3.7 8.8 1.0 ND1 A:HIS409 4.2 3.1 1.0 ND1 A:HIS407 4.2 8.0 1.0 CG A:HIS409 4.2 2.9 1.0 CG A:HIS407 4.3 7.4 1.0 CB A:ALA636 4.3 6.3 1.0 CB A:ASP633 4.3 5.6 1.0 CG2 A:THR442 4.3 8.1 1.0 O A:ALA636 4.4 13.5 1.0 NZ A:KCX490 4.5 9.6 1.0 CA A:ASP633 4.6 5.8 1.0 O A:ALA440 4.6 5.3 1.0 CD2 A:HIS545 4.8 6.6 1.0 NE2 A:HIS545 4.9 3.3 1.0

Nickel binding site 2 out of 2 in the Crystal Structure of Jack Bean Urease Inhibited with Fluoride


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of Jack Bean Urease Inhibited with Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni902 b:9.4 occ:1.00 F A:F904 2.0 11.3 1.0 O A:HOH1005 2.1 8.8 1.0 NE2 A:HIS545 2.1 3.3 1.0 ND1 A:HIS519 2.2 7.1 1.0 OQ2 A:KCX490 2.3 6.2 1.0 CD2 A:HIS545 3.0 6.6 1.0 CE1 A:HIS519 3.1 2.3 1.0 CE1 A:HIS545 3.2 8.4 1.0 CG A:HIS519 3.2 6.8 1.0 O A:GLY550 3.4 7.0 1.0 CX A:KCX490 3.4 11.7 1.0 F A:F903 3.5 15.4 1.0 CB A:HIS519 3.5 7.6 1.0 NI A:NI901 3.6 5.0 0.9 OQ1 A:KCX490 3.6 6.9 1.0 NE2 A:HIS492 3.6 9.8 1.0 O A:HOH1002 3.7 9.2 1.0 O A:HOH1465 4.1 39.1 1.0 CD2 A:HIS492 4.1 6.9 1.0 CG A:HIS545 4.2 7.7 1.0 CE1 A:HIS407 4.2 9.6 1.0 ND1 A:HIS545 4.2 7.5 1.0 NE2 A:HIS519 4.2 7.0 1.0 CD2 A:HIS519 4.3 5.7 1.0 C A:GLY550 4.4 7.8 1.0 NE2 A:HIS407 4.4 4.6 1.0 NZ A:KCX490 4.5 9.6 1.0 CE1 A:HIS492 4.6 10.3 1.0 OD2 A:ASP633 4.6 10.3 1.0 CA A:HIS519 4.7 6.2 1.0 CE A:KCX490 4.9 11.7 1.0 OD1 A:ASP633 5.0 11.6 1.0

A.Balasubramanian, K.Ponnuraj. Crystal Structure of Jack Bean Urease Inhibited with Fluoride To Be Published.