Zinc in PDB 5cgs: Crystal Structure of Fox-4 Cephamycinase

All present enzymatic activity of Crystal Structure of Fox-4 Cephamycinase:
3.5.2.6;

The structure of Crystal Structure of Fox-4 Cephamycinase, PDB code: 5cgs was solved by V.N.Malashkevich, R.Toro, S.Lefurgy, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.71 / 1.63
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.854, 57.085, 56.747, 90.00, 96.45, 90.00
R / Rfree (%)	20.1 / 23

The binding sites of Zinc atom in the Crystal Structure of Fox-4 Cephamycinase (pdb code 5cgs). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Fox-4 Cephamycinase, PDB code: 5cgs:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Fox-4 Cephamycinase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Fox-4 Cephamycinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:39.7 occ:1.00 NE2 A:HIS160 2.1 35.8 1.0 O A:HOH664 2.3 27.3 1.0 O A:HOH656 2.6 27.9 1.0 CD2 A:HIS160 3.0 29.5 1.0 CE1 A:HIS160 3.1 35.4 1.0 HD2 A:HIS160 3.1 35.4 1.0 HE1 A:HIS160 3.4 42.4 1.0 O A:HOH700 3.7 51.1 1.0 HE1 A:TRP95 3.8 33.4 1.0 HE21 A:GLN132 4.0 63.4 1.0 HZ2 A:TRP95 4.1 29.1 1.0 CG A:HIS160 4.2 21.4 1.0 ND1 A:HIS160 4.2 20.9 1.0 NE1 A:TRP95 4.4 27.8 1.0 HD23 A:LEU161 4.5 17.1 1.0 HE1 A:MET131 4.7 45.9 1.0 CZ2 A:TRP95 4.7 24.2 1.0 NE2 A:GLN132 4.7 52.8 1.0 HE22 A:GLN132 4.8 63.4 1.0 HB2 A:ASN164 4.8 18.7 1.0 OD1 A:ASN128 4.9 46.0 1.0 CE2 A:TRP95 4.9 25.0 1.0 HD21 A:LEU161 4.9 17.1 1.0 HD22 A:ASN164 5.0 41.4 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Fox-4 Cephamycinase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Fox-4 Cephamycinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:28.6 occ:1.00 ND1 A:HIS39 2.0 26.9 1.0 O A:HOH565 2.0 27.6 1.0 O A:HOH678 2.1 35.6 1.0 CE1 A:HIS39 2.8 29.0 1.0 HE1 A:HIS39 2.9 34.8 1.0 CG A:HIS39 3.1 25.4 1.0 HB3 A:HIS39 3.3 29.7 1.0 HA A:HIS39 3.4 29.0 1.0 CB A:HIS39 3.6 24.8 1.0 CA A:HIS39 4.0 24.1 1.0 NE2 A:HIS39 4.0 30.4 1.0 O A:ALA38 4.0 24.7 1.0 O A:HOH612 4.1 27.2 1.0 CD2 A:HIS39 4.1 26.2 1.0 HB2 A:HIS39 4.5 29.7 1.0 HD23 A:LEU8 4.6 82.2 1.0 C A:ALA38 4.7 23.4 1.0 HE2 A:HIS39 4.7 36.5 1.0 N A:HIS39 4.7 23.1 1.0 H A:TYR40 4.8 33.3 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Fox-4 Cephamycinase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Fox-4 Cephamycinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:28.5 occ:1.00 OD2 A:ASP126 1.9 30.9 1.0 OE1 A:GLU124 2.2 29.3 1.0 CG A:ASP126 2.7 25.5 1.0 O A:HOH657 2.7 31.9 1.0 HZ3 A:LYS130 2.7 36.3 1.0 OD1 A:ASP126 2.8 27.9 1.0 CD A:GLU124 3.0 50.0 1.0 OE2 A:GLU124 3.1 34.0 1.0 NZ A:LYS130 3.5 30.2 1.0 HZ2 A:LYS130 3.6 36.3 1.0 HA A:GLU124 3.6 41.0 1.0 HZ1 A:LYS130 3.7 36.3 1.0 O A:HOH513 4.0 33.1 1.0 CB A:ASP126 4.2 24.0 1.0 HB2 A:ASP126 4.4 28.8 1.0 CG A:GLU124 4.4 29.9 1.0 HB3 A:ASP126 4.5 28.8 1.0 CA A:GLU124 4.5 34.2 1.0 HB3 A:GLU124 4.6 45.7 1.0 CE A:LYS130 4.7 30.7 1.0 CB A:GLU124 4.7 38.1 1.0 O A:GLU124 4.8 25.5 1.0 HE3 A:LYS130 4.8 36.9 1.0 HE2 A:LYS130 4.9 36.9 1.0 HG2 A:GLU124 4.9 35.8 1.0 HG3 A:GLU124 4.9 35.8 1.0 H A:ASP126 5.0 26.9 1.0 C A:GLU124 5.0 28.8 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Fox-4 Cephamycinase


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Fox-4 Cephamycinase within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn404 b:68.8 occ:1.00 ND1 A:HIS185 2.5 40.7 1.0 CE1 A:HIS185 3.3 55.3 1.0 HE1 A:HIS185 3.4 66.4 1.0 HA A:HIS185 3.5 33.0 1.0 HB3 A:HIS185 3.5 33.3 1.0 CG A:HIS185 3.5 30.6 1.0 HG3 A:PRO180 3.7 24.8 1.0 CB A:HIS185 3.9 27.7 1.0 O A:HOH675 4.1 38.1 1.0 CA A:HIS185 4.2 27.5 1.0 HA A:PRO180 4.2 22.9 1.0 HB3 A:PRO180 4.2 24.2 1.0 NE2 A:HIS185 4.4 50.5 1.0 CG A:PRO180 4.6 20.7 1.0 CD2 A:HIS185 4.6 33.1 1.0 CB A:PRO180 4.7 20.2 1.0 HB2 A:HIS185 4.8 33.3 1.0 CA A:PRO180 4.9 19.1 1.0 O A:HIS185 4.9 30.1 1.0

S.T.Lefurgy, V.N.Malashkevich, J.T.Aguilan, E.Nieves, E.C.Mundorff, B.Biju, M.A.Noel, R.Toro, D.Baiwir, K.M.Papp-Wallace, S.C.Almo, J.M.Frere, G.Bou, R.A.Bonomo. Fox-4 Cephamycinase: An Analysis of Structure and Function. Antimicrob.Agents Chemother. 2015.
ISSN: ESSN 1098-6596
PubMed: 26525784
DOI: 10.1128/AAC.01887-15