Nickel in PDB 5i0c: Crystal Structure of Predicted Acyltransferase Yjdj with Acyl-Coa N- Acyltransferase Domain From Escherichia Coli Str. K-12

The structure of Crystal Structure of Predicted Acyltransferase Yjdj with Acyl-Coa N- Acyltransferase Domain From Escherichia Coli Str. K-12, PDB code: 5i0c was solved by E.V.Filippova, G.Minasov, Z.Wawrzak, L.Shuvalova, I.Dubrovska, J.Winsor, S.Grimshaw, A.J.Wolfe, W.F.Anderson, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.19 / 1.92
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	53.690, 87.840, 41.580, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 26.6

The structure of Crystal Structure of Predicted Acyltransferase Yjdj with Acyl-Coa N- Acyltransferase Domain From Escherichia Coli Str. K-12 also contains other interesting chemical elements:

Cadmium

(Cd)

1 atom

The binding sites of Nickel atom in the Crystal Structure of Predicted Acyltransferase Yjdj with Acyl-Coa N- Acyltransferase Domain From Escherichia Coli Str. K-12 (pdb code 5i0c). 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 Predicted Acyltransferase Yjdj with Acyl-Coa N- Acyltransferase Domain From Escherichia Coli Str. K-12, PDB code: 5i0c:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in the Crystal Structure of Predicted Acyltransferase Yjdj with Acyl-Coa N- Acyltransferase Domain From Escherichia Coli Str. K-12


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 Predicted Acyltransferase Yjdj with Acyl-Coa N- Acyltransferase Domain From Escherichia Coli Str. K-12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni101 b:26.0 occ:1.00 OE1 A:GLU22 2.3 36.8 1.0 OE2 A:GLU22 3.0 36.8 1.0 CD A:GLU22 3.0 31.8 1.0 CD2 A:HIS37 4.2 35.7 1.0 O A:HOH233 4.2 41.1 1.0 NE2 A:HIS37 4.5 35.9 1.0 CG A:GLU22 4.5 31.7 1.0 O A:HOH246 4.8 47.9 1.0 CG2 A:VAL24 5.0 28.6 1.0

Nickel binding site 2 out of 3 in the Crystal Structure of Predicted Acyltransferase Yjdj with Acyl-Coa N- Acyltransferase Domain From Escherichia Coli Str. K-12


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 Predicted Acyltransferase Yjdj with Acyl-Coa N- Acyltransferase Domain From Escherichia Coli Str. K-12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni102 b:0.6 occ:0.50 O A:HOH202 2.3 67.8 1.0 O A:HOH223 2.4 74.1 1.0 NZ A:LYS81 3.6 62.9 1.0 NE2 A:HIS77 3.6 72.6 1.0 O A:HOH247 3.7 58.1 1.0 CE1 A:HIS77 4.6 72.1 1.0 CD2 A:HIS77 4.6 67.4 1.0 CE A:LYS81 4.8 61.8 1.0

Nickel binding site 3 out of 3 in the Crystal Structure of Predicted Acyltransferase Yjdj with Acyl-Coa N- Acyltransferase Domain From Escherichia Coli Str. K-12


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 Predicted Acyltransferase Yjdj with Acyl-Coa N- Acyltransferase Domain From Escherichia Coli Str. K-12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni103 b:41.4 occ:1.00 OE2 A:GLU2 2.3 52.2 1.0 O A:HOH203 2.3 31.8 1.0 CD A:GLU2 3.0 48.6 1.0 CB A:GLU2 3.1 44.0 1.0 CG A:GLU2 3.1 48.1 1.0 OE1 A:GLU2 4.2 46.8 1.0 O A:HOH255 4.5 42.9 1.0 CA A:GLU2 4.6 42.1 1.0

E.V.Filippova, G.Minasov, Z.Wawrzak, L.Shuvalova, I.Dubrovska, J.Winsor, S.Grimshaw, A.J.Wolfe, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). Crystal Structure of Predicted Acyltransferase Yjdj with Acyl-Coa N-Acyltransferase Domain From Escherichia Coli Str. K-12 To Be Published.