Iron in PDB 8j4j: X-Ray Structure of A Ferric Ion-Binding Protein A (Fbpa) From Vibrio Metschnikovii in Complex with Ferric Ion

The structure of X-Ray Structure of A Ferric Ion-Binding Protein A (Fbpa) From Vibrio Metschnikovii in Complex with Ferric Ion, PDB code: 8j4j was solved by P.Lu, J.Jiang, K.Nagata, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.78 / 2.15
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	91.522, 91.522, 150.454, 90, 90, 120
R / Rfree (%)	16.9 / 24.2

The binding sites of Iron atom in the X-Ray Structure of A Ferric Ion-Binding Protein A (Fbpa) From Vibrio Metschnikovii in Complex with Ferric Ion (pdb code 8j4j). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the X-Ray Structure of A Ferric Ion-Binding Protein A (Fbpa) From Vibrio Metschnikovii in Complex with Ferric Ion, PDB code: 8j4j:

Iron binding site 1 out of 1 in the X-Ray Structure of A Ferric Ion-Binding Protein A (Fbpa) From Vibrio Metschnikovii in Complex with Ferric Ion


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of A Ferric Ion-Binding Protein A (Fbpa) From Vibrio Metschnikovii in Complex with Ferric Ion within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:117.0 occ:0.90 O1 A:CO3402 2.3 125.0 0.9 O3 A:CO3403 2.7 94.0 0.9 O A:HOH573 3.0 77.1 1.0 OH A:TYR196 3.1 90.0 1.0 OH A:TYR195 3.2 74.2 1.0 O A:HOH543 3.2 92.7 1.0 C A:CO3402 3.2 114.2 0.9 C A:CO3403 3.5 98.6 0.9 O2 A:CO3403 3.5 93.2 0.9 O3 A:CO3402 3.7 95.2 0.9 O A:HOH584 3.8 84.8 1.0 O A:HOH542 4.1 84.5 1.0 NH2 A:ARG100 4.1 69.7 1.0 O2 A:CO3402 4.2 108.0 0.9 CZ A:TYR195 4.2 63.1 1.0 O A:HOH524 4.3 84.6 1.0 CZ A:TYR196 4.3 83.6 1.0 CE1 A:TYR195 4.4 64.8 1.0 CE2 A:TYR196 4.7 81.1 1.0 NE2 A:GLN58 4.7 67.5 1.0 O1 A:CO3403 4.7 96.0 0.9 O A:HOH572 4.8 72.2 1.0 NH1 A:ARG100 4.9 60.2 1.0 CZ A:ARG100 4.9 63.6 1.0

P.Lu, J.Jiang, C.Liu, S.Okuda, H.Itoh, K.Okamoto, M.Suzuki, K.Nagata. Molecular Mechanism of Fe 3+ Binding Inhibition to Vibrio Metschnikovii Ferric Ion-Binding Protein, Fbpa, By Rosmarinic Acid and Its Hydrolysate, Danshensu. Protein Sci. E4881 2023.
ISSN: ESSN 1469-896X
PubMed: 38143427
DOI: 10.1002/PRO.4881