Nickel in PDB 2uui: Crystal Structure of Human Leukotriene C4 Synthase

All present enzymatic activity of Crystal Structure of Human Leukotriene C4 Synthase:
4.4.1.20;

The structure of Crystal Structure of Human Leukotriene C4 Synthase, PDB code: 2uui was solved by D.Martinez Molina, A.Wetterholm, A.Kohl, A.A.Mccarthy, D.Niegowski, E.Ohlson, T.Hammarberg, S.Eshaghi, J.Z.Haeggstrom, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.27 / 2.0
Space group	F 2 3
Cell size a, b, c (Å), α, β, γ (°)	169.670, 169.670, 169.670, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23.7

The binding sites of Nickel atom in the Crystal Structure of Human Leukotriene C4 Synthase (pdb code 2uui). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 3 binding sites of Nickel where determined in the Crystal Structure of Human Leukotriene C4 Synthase, PDB code: 2uui:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in the Crystal Structure of Human Leukotriene C4 Synthase


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 Human Leukotriene C4 Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1151 b:35.1 occ:0.33 NE2 A:HIS-1 2.3 35.4 1.0 NE2 A:HIS1 2.4 32.4 1.0 CE1 A:HIS-1 3.2 37.0 1.0 CD2 A:HIS1 3.3 30.1 1.0 CD2 A:HIS-1 3.3 33.5 1.0 CE1 A:HIS1 3.4 32.4 1.0 ND1 A:HIS-1 4.4 37.3 1.0 CG A:HIS1 4.4 34.7 1.0 CG A:HIS-1 4.5 38.3 1.0 ND1 A:HIS1 4.5 31.7 1.0

Nickel binding site 2 out of 3 in the Crystal Structure of Human Leukotriene C4 Synthase


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 Human Leukotriene C4 Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1152 b:39.0 occ:0.30 NE2 A:HIS-2 2.2 40.9 1.0 NE2 A:HIS-4 2.4 51.2 1.0 CD2 A:HIS-4 3.0 51.5 1.0 CE1 A:HIS-2 3.1 42.8 1.0 CD2 A:HIS-2 3.2 39.1 1.0 CE1 A:HIS-4 3.6 51.4 1.0 ND1 A:HIS-2 4.3 41.5 1.0 CG A:HIS-4 4.3 54.5 1.0 CG A:HIS-2 4.3 39.9 1.0 ND1 A:HIS-4 4.5 52.7 1.0 O A:HOH2003 4.7 61.5 0.3

Nickel binding site 3 out of 3 in the Crystal Structure of Human Leukotriene C4 Synthase


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Crystal Structure of Human Leukotriene C4 Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1153 b:98.2 occ:1.00 O A:HOH2001 2.6 62.5 1.0 N A:HIS-2 3.6 44.6 1.0 ND1 A:HIS-3 3.7 49.4 1.0 ND1 A:HIS-1 3.8 37.3 1.0 CA A:HIS-3 3.8 50.1 1.0 CE1 A:HIS-1 4.0 37.0 1.0 CB A:HIS-3 4.3 50.0 1.0 C A:HIS-3 4.3 47.9 1.0 N A:HIS-3 4.4 52.9 1.0 CG A:HIS-3 4.5 50.4 1.0 CA A:HIS-2 4.5 42.4 1.0 CB A:HIS-2 4.6 41.9 1.0 CE1 A:HIS-3 4.7 51.1 1.0 N A:HIS-1 4.8 39.1 1.0 CD2 A:HIS-2 4.8 39.1 1.0 C A:HIS-2 4.9 41.6 1.0

D.Martinez Molina, A.Wetterholm, A.Kohl, A.A.Mccarthy, D.Niegowski, E.Ohlson, T.Hammarberg, S.Eshaghi, J.Z.Haeggstrom, P.Nordlund. Structural Basis For Synthesis of Inflammatory Mediators By Human Leukotriene C4 Synthase. Nature V. 448 613 2007.
ISSN: ISSN 0028-0836
PubMed: 17632546
DOI: 10.1038/NATURE06009