Nickel in PDB 4jrz: 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: 4jrz 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)	20.66 / 2.40
Space group	F 2 3
Cell size a, b, c (Å), α, β, γ (°)	169.108, 169.108, 169.108, 90.00, 90.00, 90.00
R / Rfree (%)	23.3 / 26.4

The binding sites of Nickel atom in the Human LTC4 Synthase in Complex with Product Analogs - Implications For Enzyme Catalysis (pdb code 4jrz). 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: 4jrz:
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:52.4 occ:0.33 NE2 A:HIS1 2.2 56.9 1.0 NE2 A:HIS-1 2.3 58.7 1.0 CE1 A:HIS1 3.1 56.4 1.0 CD2 A:HIS1 3.2 58.5 1.0 CE1 A:HIS-1 3.2 58.8 1.0 CD2 A:HIS-1 3.3 57.0 1.0 ND1 A:HIS1 4.3 58.9 1.0 CG A:HIS1 4.3 58.6 1.0 ND1 A:HIS-1 4.4 66.5 1.0 CG A:HIS-1 4.4 62.6 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:59.2 occ:0.30 NE2 A:HIS-2 2.1 64.8 1.0 NE2 A:HIS-4 2.4 72.5 1.0 CD2 A:HIS-4 2.9 66.0 1.0 CE1 A:HIS-2 3.0 62.5 1.0 CD2 A:HIS-2 3.2 58.3 1.0 CE1 A:HIS-4 3.7 70.4 1.0 ND1 A:HIS-2 4.1 63.9 1.0 CG A:HIS-4 4.2 73.5 1.0 CG A:HIS-2 4.3 62.4 1.0 ND1 A:HIS-4 4.5 68.1 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:0.1 occ:1.00 O A:HOH317 2.7 73.5 1.0 N A:HIS-2 3.4 64.7 1.0 ND1 A:HIS-1 3.5 66.5 1.0 CA A:HIS-3 3.6 73.7 1.0 ND1 A:HIS-3 3.8 70.5 1.0 CE1 A:HIS-1 3.8 58.8 1.0 C A:HIS-3 4.1 73.6 1.0 CB A:HIS-3 4.3 75.2 1.0 N A:HIS-3 4.3 77.4 1.0 CA A:HIS-2 4.4 65.0 1.0 CG A:HIS-3 4.5 74.2 1.0 CB A:HIS-2 4.5 63.5 1.0 N A:HIS-1 4.7 64.2 1.0 C A:HIS-2 4.7 68.5 1.0 CE1 A:HIS-3 4.8 74.6 1.0 CG A:HIS-1 4.8 62.6 1.0 CD2 A:HIS-2 4.9 58.3 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