Nickel in PDB 4diq: Crystal Structure of Human NO66

All present enzymatic activity of Crystal Structure of Human NO66:
1.14.11.27;

The structure of Crystal Structure of Human NO66, PDB code: 4diq was solved by M.Vollmar, T.Krojer, S.Ng, E.Pilka, J.Bray, A.C.W.Pike, P.Filippakopoulos, A.Roos, C.H.Arrowsmith, E.Edwards, C.Bountra, F.Von Delft, U.Oppermann, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.46 / 2.40
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.674, 149.550, 105.311, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 23

The binding sites of Nickel atom in the Crystal Structure of Human NO66 (pdb code 4diq). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of Human NO66, PDB code: 4diq:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Crystal Structure of Human NO66


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 Human NO66 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni700 b:49.1 occ:1.00 NE2 A:HIS340 2.1 50.1 1.0 O A:HOH835 2.2 50.8 1.0 O22 A:PD2701 2.2 32.9 1.0 OD2 A:ASP342 2.3 56.5 1.0 N1 A:PD2701 2.4 52.8 1.0 NE2 A:HIS405 2.4 42.3 1.0 CE1 A:HIS340 2.9 53.3 1.0 C21 A:PD2701 3.1 43.9 1.0 CG A:ASP342 3.2 47.8 1.0 C2 A:PD2701 3.2 44.5 1.0 CD2 A:HIS340 3.2 54.7 1.0 C6 A:PD2701 3.3 47.3 1.0 CD2 A:HIS405 3.3 45.2 1.0 OD1 A:ASP342 3.3 48.0 1.0 CE1 A:HIS405 3.4 48.1 1.0 ND1 A:HIS340 4.1 38.8 1.0 O21 A:PD2701 4.3 44.8 1.0 CG A:HIS340 4.3 45.4 1.0 OH A:TYR328 4.4 48.7 1.0 C3 A:PD2701 4.5 47.0 1.0 ND1 A:HIS405 4.5 47.9 1.0 CG A:HIS405 4.5 48.1 1.0 CB A:ASP342 4.6 59.9 1.0 C5 A:PD2701 4.6 66.2 1.0

Nickel binding site 2 out of 2 in the Crystal Structure of Human NO66


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 Human NO66 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni701 b:33.7 occ:1.00 O B:HOH883 2.0 37.3 1.0 O22 B:PD2702 2.1 14.6 1.0 N1 B:PD2702 2.2 22.6 1.0 OD2 B:ASP342 2.2 34.8 1.0 NE2 B:HIS340 2.2 28.5 1.0 NE2 B:HIS405 2.3 27.9 1.0 C6 B:PD2702 3.1 32.1 1.0 C2 B:PD2702 3.1 21.8 1.0 C21 B:PD2702 3.1 25.7 1.0 CE1 B:HIS340 3.1 36.9 1.0 CG B:ASP342 3.2 32.9 1.0 CD2 B:HIS405 3.2 29.8 1.0 CD2 B:HIS340 3.3 44.7 1.0 CE1 B:HIS405 3.3 28.9 1.0 OD1 B:ASP342 3.5 39.5 1.0 O B:HOH856 4.0 46.5 1.0 ND1 B:HIS340 4.3 31.4 1.0 O21 B:PD2702 4.3 23.0 1.0 OH B:TYR328 4.4 40.3 1.0 C5 B:PD2702 4.4 17.6 1.0 CG B:HIS340 4.4 33.8 1.0 C3 B:PD2702 4.4 29.2 1.0 ND1 B:HIS405 4.4 36.0 1.0 CG B:HIS405 4.4 27.7 1.0 CB B:ASP342 4.5 33.1 1.0 C4 B:PD2702 5.0 19.5 1.0

M.Vollmar, T.Krojer, N.G.Stan, E.Pilka, C.Phillips, N.Burgess-Brown, J.Bray, A.C.W.Pike, P.Filippakopoulos, A.Roos, C.H.Arrowsmith, A.Edwards, C.Bountra, F.Von Delft, U.Oppermann. Crystal Structure of Human NO66 To Be Published.