Nickel in PDB 4x68: Crystal Structure of OP0595 Complexed with Ampc

All present enzymatic activity of Crystal Structure of OP0595 Complexed with Ampc:
3.5.2.6;

The structure of Crystal Structure of OP0595 Complexed with Ampc, PDB code: 4x68 was solved by M.Yamada, T.Watanabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.68
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.027, 54.781, 75.667, 90.00, 90.80, 90.00
R / Rfree (%)	21.2 / 24.8

The binding sites of Nickel atom in the Crystal Structure of OP0595 Complexed with Ampc (pdb code 4x68). 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 OP0595 Complexed with Ampc, PDB code: 4x68:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the Crystal Structure of OP0595 Complexed with Ampc


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 OP0595 Complexed with Ampc within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni402 b:75.0 occ:1.00 OD2 A:ASP360 2.3 31.1 1.0 NE2 A:HIS267 3.1 27.3 1.0 CD2 A:HIS267 3.4 26.3 1.0 CG A:ASP360 3.6 24.9 1.0 CB A:ASP360 4.3 22.3 1.0 CE1 A:HIS267 4.3 26.7 1.0 OD1 A:ASP360 4.5 29.4 1.0 CG A:HIS267 4.7 25.2 1.0 O A:PRO357 4.7 19.2 1.0 O A:LEU266 4.7 19.9 1.0 O A:HOH527 5.0 33.1 1.0

Nickel binding site 2 out of 2 in the Crystal Structure of OP0595 Complexed with Ampc


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 OP0595 Complexed with Ampc within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni403 b:77.3 occ:1.00 NE2 B:HIS267 2.6 24.7 1.0 OD1 B:ASP360 2.7 31.0 1.0 OD2 A:ASP149 2.8 35.2 1.0 OD2 B:ASP360 3.0 30.6 1.0 CD2 B:HIS267 3.1 23.6 1.0 CG B:ASP360 3.2 26.6 1.0 CE1 B:HIS267 3.8 24.0 1.0 CG A:ASP149 3.9 32.1 1.0 CG B:HIS267 4.4 21.9 1.0 ND1 B:HIS267 4.7 23.2 1.0 CB B:ASP360 4.7 23.5 1.0 O B:LEU266 4.7 18.8 1.0 OD1 A:ASP149 4.7 34.7 1.0 CB A:ASP149 4.7 30.1 1.0 O A:HOH615 4.9 28.6 1.0

A.Morinaka, Y.Tsutsumi, M.Yamada, K.Suzuki, T.Watanabe, T.Abe, T.Furuuchi, S.Inamura, Y.Sakamaki, N.Mitsuhashi, T.Ida, D.M.Livermore. OP0595, A New Diazabicyclooctane: Mode of Action As A Serine Beta-Lactamase Inhibitor, Antibiotic and Beta-Lactam 'Enhancer' J.Antimicrob.Chemother. V. 70 2779 2015.
ISSN: ESSN 1460-2091
PubMed: 26089439
DOI: 10.1093/JAC/DKV166