Nickel in PDB 5gol: Structure of Acetyl-Coenzyme A Synthase Alpha Subunit C-Terminal Domain F598H Mutant

All present enzymatic activity of Structure of Acetyl-Coenzyme A Synthase Alpha Subunit C-Terminal Domain F598H Mutant:
2.3.1.169;

The structure of Structure of Acetyl-Coenzyme A Synthase Alpha Subunit C-Terminal Domain F598H Mutant, PDB code: 5gol was solved by H.Yuan, Y.Z.Wei, X.S.Tan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.24 / 2.11
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	86.839, 58.569, 120.729, 90.00, 102.83, 90.00
R / Rfree (%)	20.3 / 24

The binding sites of Nickel atom in the Structure of Acetyl-Coenzyme A Synthase Alpha Subunit C-Terminal Domain F598H Mutant (pdb code 5gol). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 4 binding sites of Nickel where determined in the Structure of Acetyl-Coenzyme A Synthase Alpha Subunit C-Terminal Domain F598H Mutant, PDB code: 5gol:
Jump to Nickel binding site number: 1; 2; 3; 4;

Nickel binding site 1 out of 4 in the Structure of Acetyl-Coenzyme A Synthase Alpha Subunit C-Terminal Domain F598H Mutant


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Structure of Acetyl-Coenzyme A Synthase Alpha Subunit C-Terminal Domain F598H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni202 b:53.0 occ:1.00 NE2 D:HIS5 2.1 42.2 1.0 N A:SER1 2.1 40.1 1.0 N A:CYS2 2.3 45.9 1.0 SG A:CYS2 2.3 45.4 1.0 CA A:SER1 2.9 42.2 1.0 CD2 D:HIS5 2.9 40.3 1.0 C A:SER1 3.0 40.0 1.0 CE1 D:HIS5 3.1 42.8 1.0 CB A:CYS2 3.3 46.1 1.0 CA A:CYS2 3.3 46.5 1.0 CB A:SER1 3.4 45.7 1.0 N A:GLY3 3.6 43.8 1.0 O2 A:SO4201 3.8 47.3 1.0 C A:CYS2 3.8 45.8 1.0 O4 A:SO4201 4.0 48.0 1.0 CG D:HIS5 4.1 42.3 1.0 CB A:CYS4 4.1 48.1 1.0 N A:CYS4 4.1 39.5 1.0 ND1 D:HIS5 4.1 42.1 1.0 O A:SER1 4.2 45.1 1.0 OG A:SER1 4.2 50.5 1.0 S A:SO4201 4.5 44.9 1.0 CA A:GLY3 4.8 39.4 1.0 CA A:CYS4 4.8 41.4 1.0 O A:CYS2 4.9 49.7 1.0 C A:GLY3 5.0 38.2 1.0

Nickel binding site 2 out of 4 in the Structure of Acetyl-Coenzyme A Synthase Alpha Subunit C-Terminal Domain F598H Mutant


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Structure of Acetyl-Coenzyme A Synthase Alpha Subunit C-Terminal Domain F598H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni203 b:57.9 occ:1.00 N D:CYS2 2.0 48.9 1.0 SG D:CYS2 2.2 44.1 1.0 NE2 A:HIS5 2.2 45.9 1.0 C D:SER1 2.8 52.0 1.0 CA D:SER1 2.9 58.0 1.0 N D:SER1 2.9 58.1 1.0 CA D:CYS2 3.0 43.1 1.0 CB D:CYS2 3.0 43.2 1.0 CE1 A:HIS5 3.1 42.0 1.0 CD2 A:HIS5 3.2 41.9 1.0 O2 D:SO4201 3.4 48.0 1.0 CG2 A:THR57 3.8 45.3 1.0 N D:GLY3 3.9 43.3 1.0 O3 D:SO4201 3.9 45.5 1.0 C D:CYS2 3.9 45.0 1.0 O D:SER1 4.0 59.0 1.0 ND1 A:HIS5 4.2 42.1 1.0 CG A:HIS5 4.3 42.5 1.0 S D:SO4201 4.3 43.5 1.0 CB D:SER1 4.4 67.1 1.0 N D:CYS4 4.6 41.9 1.0 CB D:CYS4 4.6 44.6 1.0

Nickel binding site 3 out of 4 in the Structure of Acetyl-Coenzyme A Synthase Alpha Subunit C-Terminal Domain F598H Mutant


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Structure of Acetyl-Coenzyme A Synthase Alpha Subunit C-Terminal Domain F598H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni201 b:48.8 occ:1.00 N B:CYS2 2.1 36.4 1.0 N B:SER1 2.1 39.4 1.0 SG B:CYS2 2.3 34.6 1.0 C B:SER1 2.9 38.2 1.0 CA B:SER1 2.9 42.5 1.0 CA B:CYS2 2.9 35.1 1.0 CB B:CYS2 3.1 36.0 1.0 N B:GLY3 3.3 35.2 1.0 O3 B:SO4203 3.4 32.5 1.0 CB B:SER1 3.5 43.2 1.0 C B:CYS2 3.5 33.7 1.0 O1 B:SO4203 3.8 40.6 1.0 N B:CYS4 3.9 29.7 1.0 O B:SER1 4.1 39.9 1.0 CB B:CYS4 4.1 30.4 1.0 S B:SO4203 4.3 34.9 1.0 OG B:SER1 4.3 47.8 1.0 CA B:GLY3 4.5 30.9 1.0 O B:CYS2 4.5 36.8 1.0 CA B:CYS4 4.7 30.8 1.0 C B:GLY3 4.8 30.1 1.0

Nickel binding site 4 out of 4 in the Structure of Acetyl-Coenzyme A Synthase Alpha Subunit C-Terminal Domain F598H Mutant


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Structure of Acetyl-Coenzyme A Synthase Alpha Subunit C-Terminal Domain F598H Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni202 b:53.7 occ:1.00 NE2 B:HIS5 2.1 35.5 1.0 CD2 B:HIS5 2.9 33.5 1.0 CE1 B:HIS5 3.2 33.4 1.0 CG B:HIS5 4.1 33.3 1.0 ND1 B:HIS5 4.2 36.0 1.0

H.Yuan, Y.Z.Wei, X.S.Tan. Structure of Acetyl-Coenzyme A Synthase Alpha Subunit C-Terminal Domain F598H Mutant To Be Published.