Nickel in PDB 4jc7: Human LTC4 Synthase in Complex with Product Analogs - Implications For Enzyme Catalysis

All present enzymatic activity of Human LTC4 Synthase in Complex with Product Analogs - Implications For Enzyme Catalysis:
4.4.1.20;

The structure of Human LTC4 Synthase in Complex with Product Analogs - Implications For Enzyme Catalysis, PDB code: 4jc7 was solved by D.Niegowski, A.Rinaldo-Matthis, J.Z.Haeggstrom, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.35 / 2.70
Space group	F 2 3
Cell size a, b, c (Å), α, β, γ (°)	169.392, 169.392, 169.392, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 25.1

The binding sites of Nickel atom in the Human LTC4 Synthase in Complex with Product Analogs - Implications For Enzyme Catalysis (pdb code 4jc7). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 3 binding sites of Nickel where determined in the Human LTC4 Synthase in Complex with Product Analogs - Implications For Enzyme Catalysis, PDB code: 4jc7:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in the Human LTC4 Synthase in Complex with Product Analogs - Implications For Enzyme Catalysis


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Human LTC4 Synthase in Complex with Product Analogs - Implications For Enzyme Catalysis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni201 b:34.6 occ:0.33 NE2 A:HIS1 2.3 37.5 1.0 NE2 A:HIS-1 2.4 46.1 1.0 CE1 A:HIS-1 3.2 41.0 1.0 CE1 A:HIS1 3.3 38.2 1.0 CD2 A:HIS1 3.3 37.7 1.0 CD2 A:HIS-1 3.4 46.7 1.0 ND1 A:HIS1 4.4 44.3 1.0 ND1 A:HIS-1 4.4 45.6 1.0 CG A:HIS1 4.4 36.1 1.0 CG A:HIS-1 4.5 47.4 1.0

Nickel binding site 2 out of 3 in the Human LTC4 Synthase in Complex with Product Analogs - Implications For Enzyme Catalysis


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Human LTC4 Synthase in Complex with Product Analogs - Implications For Enzyme Catalysis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni202 b:65.0 occ:0.30 NE2 A:HIS-2 2.3 72.9 1.0 NE2 A:HIS-4 2.7 85.7 1.0 CD2 A:HIS-4 3.1 79.1 1.0 CE1 A:HIS-2 3.2 67.2 1.0 CD2 A:HIS-2 3.3 72.6 1.0 CE1 A:HIS-4 3.9 83.9 1.0 ND1 A:HIS-2 4.3 67.6 1.0 CG A:HIS-2 4.4 66.5 1.0 CG A:HIS-4 4.4 91.5 1.0 ND1 A:HIS-4 4.8 94.2 1.0

Nickel binding site 3 out of 3 in the Human LTC4 Synthase in Complex with Product Analogs - Implications For Enzyme Catalysis


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Human LTC4 Synthase in Complex with Product Analogs - Implications For Enzyme Catalysis within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni203 b:90.0 occ:1.00 O A:HOH326 2.9 50.6 1.0 N A:HIS-2 3.7 68.9 1.0 ND1 A:HIS-1 3.9 45.6 1.0 CA A:HIS-3 4.0 76.9 1.0 ND1 A:HIS-3 4.0 65.1 1.0 CE1 A:HIS-1 4.1 41.0 1.0 C A:HIS-3 4.4 73.6 1.0 CB A:HIS-3 4.5 73.9 1.0 CB A:HIS-2 4.5 55.5 1.0 CA A:HIS-2 4.6 56.2 1.0 N A:HIS-3 4.6 83.6 1.0 CG A:HIS-3 4.7 74.0 1.0 CD2 A:HIS-2 4.9 72.6 1.0 N A:HIS-1 4.9 58.5 1.0 C A:HIS-2 5.0 56.9 1.0

D.Niegowski, T.Kleinschmidt, U.Olsson, S.Ahmad, A.Rinaldo-Matthis, J.Z.Haeggstrom. Crystal Structures of Leukotriene C4 Synthase in Complex with Product Analogs: Implications For the Enzyme Mechanism. J.Biol.Chem. V. 289 5199 2014.
ISSN: ISSN 0021-9258
PubMed: 24366866
DOI: 10.1074/JBC.M113.534628