Iron in PDB 1nx8: Structure of Carbapenem Synthase (Carc) Complexed with N-Acetyl Proline

The structure of Structure of Carbapenem Synthase (Carc) Complexed with N-Acetyl Proline, PDB code: 1nx8 was solved by I.J.Clifton, L.X.Doan, M.C.Sleeman, M.Topf, H.Suzuki, R.C.Wilmouth, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.65 / 2.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	80.443, 164.082, 146.330, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 27.5

The binding sites of Iron atom in the Structure of Carbapenem Synthase (Carc) Complexed with N-Acetyl Proline (pdb code 1nx8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Structure of Carbapenem Synthase (Carc) Complexed with N-Acetyl Proline, PDB code: 1nx8:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Structure of Carbapenem Synthase (Carc) Complexed with N-Acetyl Proline


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Carbapenem Synthase (Carc) Complexed with N-Acetyl Proline within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe300 b:38.9 occ:1.00 O5 A:AKG280 1.8 49.7 1.0 OD1 A:ASP103 2.1 15.7 1.0 NE2 A:HIS251 2.2 20.2 1.0 NE2 A:HIS101 2.2 19.8 1.0 O2 A:AKG280 2.7 55.2 1.0 C2 A:AKG280 2.8 53.8 1.0 CG A:ASP103 3.0 20.1 1.0 CE1 A:HIS251 3.1 19.9 1.0 CD2 A:HIS101 3.1 19.1 1.0 OD2 A:ASP103 3.1 20.8 1.0 CE1 A:HIS101 3.1 18.9 1.0 CD2 A:HIS251 3.1 20.1 1.0 C1 A:AKG280 3.2 55.2 1.0 C3 A:AKG280 4.0 53.6 1.0 ND1 A:HIS251 4.2 20.2 1.0 ND1 A:HIS101 4.2 18.4 1.0 CG A:HIS101 4.2 18.2 1.0 CG A:HIS251 4.2 20.6 1.0 O1 A:AKG280 4.4 55.7 1.0 CB A:ASP103 4.4 20.0 1.0 CA A:ASP103 4.8 20.6 1.0 N A:ASP103 4.8 19.9 1.0

Iron binding site 2 out of 3 in the Structure of Carbapenem Synthase (Carc) Complexed with N-Acetyl Proline


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Carbapenem Synthase (Carc) Complexed with N-Acetyl Proline within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe300 b:35.9 occ:1.00 O2 B:AKG281 2.0 46.1 1.0 NE2 B:HIS101 2.1 18.9 1.0 OD1 B:ASP103 2.1 22.9 1.0 NE2 B:HIS251 2.1 20.9 1.0 O B:HOH316 2.3 37.7 1.0 O5 B:AKG281 2.3 46.0 1.0 C1 B:AKG281 2.9 46.0 1.0 CD2 B:HIS101 3.0 19.4 1.0 C2 B:AKG281 3.1 46.6 1.0 CE1 B:HIS101 3.1 18.8 1.0 CE1 B:HIS251 3.1 20.7 1.0 CG B:ASP103 3.1 21.6 1.0 CD2 B:HIS251 3.1 20.7 1.0 OD2 B:ASP103 3.3 23.3 1.0 O1 B:AKG281 4.1 45.3 1.0 ND1 B:HIS101 4.1 16.8 1.0 CG B:HIS101 4.2 18.8 1.0 ND1 B:HIS251 4.2 19.9 1.0 C4 B:N7P290 4.2 68.7 1.0 CG B:HIS251 4.2 22.2 1.0 C3 B:N7P290 4.4 69.2 1.0 CB B:ASP103 4.5 20.4 1.0 C3 B:AKG281 4.5 46.3 1.0 N6 B:N7P290 4.7 70.9 1.0 C5 B:N7P290 4.7 69.9 1.0 N B:ASP103 4.7 18.8 1.0 CA B:ASP103 4.8 19.5 1.0 C2 B:N7P290 4.9 68.8 1.0

Iron binding site 3 out of 3 in the Structure of Carbapenem Synthase (Carc) Complexed with N-Acetyl Proline


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of Carbapenem Synthase (Carc) Complexed with N-Acetyl Proline within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe300 b:37.1 occ:1.00 O2 C:AKG282 2.1 58.1 1.0 OD1 C:ASP103 2.1 21.2 1.0 NE2 C:HIS101 2.1 20.7 1.0 NE2 C:HIS251 2.2 20.6 1.0 O5 C:AKG282 2.4 52.6 1.0 C1 C:AKG282 3.0 55.7 1.0 CE1 C:HIS251 3.0 20.9 1.0 CD2 C:HIS101 3.1 20.2 1.0 C2 C:AKG282 3.1 54.7 1.0 CG C:ASP103 3.1 21.7 1.0 CD2 C:HIS251 3.1 19.0 1.0 CE1 C:HIS101 3.2 20.5 1.0 OD2 C:ASP103 3.2 24.3 1.0 C4 C:N7P291 4.0 70.4 1.0 O1 C:AKG282 4.1 56.5 1.0 ND1 C:HIS251 4.1 20.1 1.0 CG C:HIS251 4.2 20.6 1.0 CG C:HIS101 4.2 18.4 1.0 ND1 C:HIS101 4.2 16.9 1.0 CB C:ASP103 4.5 21.0 1.0 C5 C:N7P291 4.5 70.4 1.0 C3 C:AKG282 4.6 52.4 1.0 N6 C:N7P291 4.6 71.5 1.0 C3 C:N7P291 4.6 71.6 1.0 CA C:ASP103 4.9 21.0 1.0 C7 C:N7P291 4.9 71.3 1.0 C2 C:N7P291 4.9 71.7 1.0 N C:ASP103 5.0 19.6 1.0

I.J.Clifton, L.X.Doan, M.C.Sleeman, M.Topf, H.Suzuki, R.C.Wilmouth, C.J.Schofield. Crystal Structure of Carbapenem Synthase (Carc). J.Biol.Chem. V. 278 20843 2003.
ISSN: ISSN 0021-9258
PubMed: 12611886
DOI: 10.1074/JBC.M213054200