Nickel in PDB 3bjd: Crystal Structure of Putative 3-Oxoacyl-(Acyl-Carrier-Protein) Synthase From Pseudomonas Aeruginosa

The structure of Crystal Structure of Putative 3-Oxoacyl-(Acyl-Carrier-Protein) Synthase From Pseudomonas Aeruginosa, PDB code: 3bjd was solved by J.Osipiuk, E.Evdokimova, M.Kudritska, A.Savchenko, A.M.Edwards, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.90 / 1.85
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	97.566, 156.904, 136.022, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 20.3

The binding sites of Nickel atom in the Crystal Structure of Putative 3-Oxoacyl-(Acyl-Carrier-Protein) Synthase From Pseudomonas Aeruginosa (pdb code 3bjd). 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 Putative 3-Oxoacyl-(Acyl-Carrier-Protein) Synthase From Pseudomonas Aeruginosa, PDB code: 3bjd:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in the Crystal Structure of Putative 3-Oxoacyl-(Acyl-Carrier-Protein) Synthase From Pseudomonas Aeruginosa


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 Putative 3-Oxoacyl-(Acyl-Carrier-Protein) Synthase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni501 b:24.3 occ:1.00 ND1 A:HIS191 2.1 14.5 1.0 OE1 A:GLU181 2.1 18.1 1.0 NE2 A:HIS274 2.2 23.2 1.0 O A:HOH532 2.2 18.3 1.0 O A:HOH632 2.4 36.6 1.0 O A:HOH756 2.6 38.0 1.0 CD A:GLU181 2.9 22.5 1.0 CE1 A:HIS191 3.0 14.7 1.0 OE2 A:GLU181 3.1 24.6 1.0 CE1 A:HIS274 3.1 23.4 1.0 CG A:HIS191 3.1 15.8 1.0 CD2 A:HIS274 3.2 25.1 1.0 CB A:HIS191 3.5 13.8 1.0 NE2 A:HIS191 4.1 17.0 1.0 CD2 A:HIS191 4.2 15.8 1.0 ND1 A:HIS274 4.2 26.6 1.0 CG A:HIS274 4.3 26.7 1.0 CG A:GLU181 4.3 17.2 1.0 CA A:GLU181 4.7 14.4 1.0 O A:HOH641 4.8 35.0 1.0 CB A:GLU181 4.8 14.2 1.0 CE1 A:TYR270 4.9 21.7 1.0

Nickel binding site 2 out of 3 in the Crystal Structure of Putative 3-Oxoacyl-(Acyl-Carrier-Protein) Synthase From Pseudomonas Aeruginosa


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 Putative 3-Oxoacyl-(Acyl-Carrier-Protein) Synthase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni502 b:24.0 occ:1.00 ND1 B:HIS191 2.0 16.6 1.0 OE1 B:GLU181 2.1 18.3 1.0 NE2 B:HIS274 2.1 31.8 1.0 O1 B:EDO407 2.2 28.6 1.0 O2 B:EDO407 2.3 24.4 1.0 O B:HOH590 2.5 30.5 1.0 CD B:GLU181 2.9 21.8 1.0 CE1 B:HIS191 2.9 18.2 1.0 CE1 B:HIS274 3.1 30.1 1.0 C1 B:EDO407 3.1 29.2 1.0 C2 B:EDO407 3.1 29.7 1.0 CG B:HIS191 3.1 16.9 1.0 CD2 B:HIS274 3.1 31.6 1.0 OE2 B:GLU181 3.2 22.7 1.0 CB B:HIS191 3.6 15.8 1.0 NE2 B:HIS191 4.1 17.6 1.0 CD2 B:HIS191 4.2 16.6 1.0 ND1 B:HIS274 4.2 30.5 1.0 CG B:HIS274 4.3 31.4 1.0 CG B:GLU181 4.4 18.6 1.0 O B:HOH805 4.5 23.0 0.4 CA B:GLU181 4.7 15.8 1.0 CB B:GLU181 4.8 15.4 1.0 OE2 B:GLU244 4.9 35.0 0.6 OE1 B:GLU244 5.0 34.8 0.6

Nickel binding site 3 out of 3 in the Crystal Structure of Putative 3-Oxoacyl-(Acyl-Carrier-Protein) Synthase From Pseudomonas Aeruginosa


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 Putative 3-Oxoacyl-(Acyl-Carrier-Protein) Synthase From Pseudomonas Aeruginosa within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni503 b:21.6 occ:1.00 O2 C:EDO405 1.8 22.7 1.0 ND1 C:HIS191 2.0 12.2 1.0 OE1 C:GLU181 2.1 15.9 1.0 NE2 C:HIS274 2.1 26.0 1.0 O1 C:EDO405 2.2 16.7 1.0 O C:HOH636 2.3 22.0 1.0 CE1 C:HIS191 2.9 13.7 1.0 C2 C:EDO405 2.9 23.4 1.0 C1 C:EDO405 3.1 20.3 1.0 CE1 C:HIS274 3.1 25.1 1.0 CD C:GLU181 3.1 16.3 1.0 CG C:HIS191 3.1 12.8 1.0 CD2 C:HIS274 3.1 23.1 1.0 OE2 C:GLU181 3.3 16.2 1.0 CB C:HIS191 3.5 14.4 1.0 NE2 C:HIS191 4.1 15.9 1.0 CD2 C:HIS191 4.2 12.8 1.0 ND1 C:HIS274 4.2 25.9 1.0 OE2 C:GLU244 4.2 27.6 1.0 CG C:HIS274 4.2 24.8 1.0 CG C:GLU181 4.5 13.9 1.0 CA C:GLU181 4.6 13.4 1.0 O C:HOH826 4.6 44.5 1.0 CB C:GLU181 4.7 12.8 1.0 OE1 C:GLU244 4.9 31.8 1.0 OH C:TYR177 5.0 19.0 1.0

J.Osipiuk, E.Evdokimova, M.Kudritska, A.Savchenko, A.M.Edwards, A.Joachimiak. Crystal Structure of Putative 3-Oxoacyl-(Acyl-Carrier-Protein) Synthase From Pseudomonas Aeruginosa. To Be Published.