Iron in PDB 3gjb: CYTC3 with Fe(II) and Alpha-Ketoglutarate

The structure of CYTC3 with Fe(II) and Alpha-Ketoglutarate, PDB code: 3gjb was solved by C.Wong, C.L.Drennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.49 / 2.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.988, 88.988, 248.442, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 25.9

The binding sites of Iron atom in the CYTC3 with Fe(II) and Alpha-Ketoglutarate (pdb code 3gjb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the CYTC3 with Fe(II) and Alpha-Ketoglutarate, PDB code: 3gjb:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the CYTC3 with Fe(II) and Alpha-Ketoglutarate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of CYTC3 with Fe(II) and Alpha-Ketoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe320 b:52.0 occ:1.00 O2 A:AKG321 1.7 67.2 1.0 O5 A:AKG321 1.9 58.4 1.0 C1 A:AKG321 2.2 67.5 1.0 NE2 A:HIS118 2.2 45.9 1.0 C2 A:AKG321 2.2 67.6 1.0 NE2 A:HIS240 2.3 45.7 1.0 O A:HOH400 2.3 50.3 1.0 O A:HOH402 2.3 51.1 1.0 CE1 A:HIS118 3.0 42.6 1.0 CE1 A:HIS240 3.2 43.9 1.0 O1 A:AKG321 3.3 71.7 1.0 CD2 A:HIS240 3.3 42.2 1.0 CD2 A:HIS118 3.3 42.1 1.0 C3 A:AKG321 3.7 66.8 1.0 O A:HOH401 3.9 56.6 1.0 ND1 A:HIS118 4.2 42.5 1.0 ND1 A:HIS240 4.3 43.9 1.0 C4 A:AKG321 4.4 66.8 1.0 CG A:HIS118 4.4 42.2 1.0 CG A:HIS240 4.4 39.6 1.0 OG1 A:THR115 4.7 42.2 1.0 OXT A:ACT325 4.7 62.5 1.0

Iron binding site 2 out of 2 in the CYTC3 with Fe(II) and Alpha-Ketoglutarate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of CYTC3 with Fe(II) and Alpha-Ketoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe320 b:48.1 occ:1.00 O B:HOH412 2.2 46.1 1.0 O B:HOH410 2.2 37.9 1.0 NE2 B:HIS118 2.2 41.9 1.0 NE2 B:HIS240 2.2 41.6 1.0 O B:HOH411 2.3 47.8 1.0 O B:HOH413 2.3 44.9 1.0 CE1 B:HIS118 2.9 41.2 1.0 CE1 B:HIS240 3.0 38.7 1.0 CD2 B:HIS240 3.2 37.4 1.0 CD2 B:HIS118 3.4 42.4 1.0 ND1 B:HIS118 4.1 42.1 1.0 ND1 B:HIS240 4.2 39.9 1.0 O B:ACT325 4.2 71.5 1.0 O A:HOH403 4.3 83.0 1.0 CG B:HIS240 4.3 37.6 1.0 O B:ACT322 4.4 65.0 1.0 CG B:HIS118 4.4 42.3 1.0 OG1 B:THR115 4.6 43.1 1.0

C.Wong, D.G.Fujimori, C.T.Walsh, C.L.Drennan. Structural Analysis of An Open Active Site Conformation of Nonheme Iron Halogenase CYTC3 J.Am.Chem.Soc. V. 131 4872 2009.
ISSN: ISSN 0002-7863
PubMed: 19281171
DOI: 10.1021/JA8097355