Iron in PDB 6mfl: Structure of Siderophore Binding Protein Baub Bound to A Complex Between Two Molecules of Acinetobactin and Ferric Iron.

The structure of Structure of Siderophore Binding Protein Baub Bound to A Complex Between Two Molecules of Acinetobactin and Ferric Iron., PDB code: 6mfl was solved by A.M.Gulick, D.C.Bailey, T.A.Wencewicz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.21 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.762, 137.055, 56.208, 90.00, 90.02, 90.00
R / Rfree (%)	16.9 / 21.4

The binding sites of Iron atom in the Structure of Siderophore Binding Protein Baub Bound to A Complex Between Two Molecules of Acinetobactin and Ferric Iron. (pdb code 6mfl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Siderophore Binding Protein Baub Bound to A Complex Between Two Molecules of Acinetobactin and Ferric Iron., PDB code: 6mfl:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Siderophore Binding Protein Baub Bound to A Complex Between Two Molecules of Acinetobactin and Ferric Iron.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Siderophore Binding Protein Baub Bound to A Complex Between Two Molecules of Acinetobactin and Ferric Iron. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:14.5 occ:1.00 OAE A:OPV402 2.0 10.9 1.0 NAM A:OPV403 2.1 12.6 1.0 OAE A:OPV403 2.1 24.1 1.0 NAM A:OPV402 2.1 13.9 1.0 OAD A:OPV403 2.3 15.2 1.0 OAD A:OPV402 2.3 12.8 1.0 CAU A:OPV402 2.8 13.1 1.0 CAU A:OPV403 2.8 17.5 1.0 CAS A:OPV403 2.9 17.0 1.0 CAS A:OPV402 2.9 13.3 1.0 CAI A:OPV403 3.0 14.4 1.0 CAI A:OPV402 3.1 16.7 1.0 CAJ A:OPV403 3.1 14.4 1.0 CAJ A:OPV402 3.2 17.8 1.0 HH A:TYR301 3.3 24.5 1.0 OH A:TYR301 3.7 20.4 1.0 CAV A:OPV402 4.2 15.1 1.0 CAV A:OPV403 4.2 27.5 1.0 NAO A:OPV403 4.2 11.6 1.0 NAO A:OPV402 4.3 11.3 1.0 CAG A:OPV403 4.3 21.2 1.0 CAG A:OPV402 4.3 14.0 1.0 CAT A:OPV403 4.3 15.7 1.0 CAT A:OPV402 4.4 17.7 1.0 HH21 A:ARG261 4.4 20.7 1.0 N A:OPV403 4.4 25.1 1.0 N A:OPV402 4.4 15.8 1.0 HE A:ARG261 4.7 27.1 1.0 CAQ A:OPV402 4.8 14.7 1.0 HE1 A:TYR301 4.8 18.6 1.0 CZ A:TYR301 4.8 19.8 1.0 CAQ A:OPV403 4.8 22.0 1.0 O A:OPV402 4.9 15.8 1.0

Iron binding site 2 out of 2 in the Structure of Siderophore Binding Protein Baub Bound to A Complex Between Two Molecules of Acinetobactin and Ferric Iron.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Siderophore Binding Protein Baub Bound to A Complex Between Two Molecules of Acinetobactin and Ferric Iron. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:13.2 occ:1.00 OAE B:OPV403 2.0 14.5 1.0 OAE B:OPV402 2.1 12.8 1.0 NAM B:OPV403 2.1 10.9 1.0 OAD B:OPV403 2.1 14.5 1.0 NAM B:OPV402 2.2 12.8 1.0 OAD B:OPV402 2.2 13.1 1.0 CAU B:OPV403 2.8 20.7 1.0 CAS B:OPV403 2.9 16.2 1.0 CAU B:OPV402 2.9 12.8 1.0 CAS B:OPV402 3.0 11.4 1.0 CAI B:OPV402 3.0 15.2 1.0 CAI B:OPV403 3.1 12.3 1.0 CAJ B:OPV403 3.2 15.6 1.0 HH B:TYR301 3.2 21.6 1.0 CAJ B:OPV402 3.3 12.7 1.0 OH B:TYR301 3.6 18.0 1.0 HH21 B:ARG261 4.2 26.9 1.0 CAV B:OPV403 4.2 24.2 1.0 NAO B:OPV402 4.3 10.9 1.0 CAV B:OPV402 4.3 15.3 1.0 CAG B:OPV403 4.3 20.1 1.0 NAO B:OPV403 4.3 13.9 1.0 CAG B:OPV402 4.3 13.5 1.0 CAT B:OPV403 4.4 9.7 1.0 CAT B:OPV402 4.5 17.5 1.0 N B:OPV403 4.5 28.1 1.0 N B:OPV402 4.6 11.3 1.0 HE B:ARG261 4.6 19.7 1.0 CZ B:TYR301 4.7 11.8 1.0 CAQ B:OPV403 4.9 17.8 1.0 HE1 B:TYR301 4.9 15.6 1.0 CAQ B:OPV402 4.9 17.8 1.0 NH2 B:ARG261 5.0 22.4 1.0

D.C.Bailey, T.J.Bohac, J.A.Shapiro, D.E.Giblin, T.A.Wencewicz, A.M.Gulick. Crystal Structure of the Siderophore Binding Protein Baub Bound to An Unusual 2:1 Complex Between Acinetobactin and Ferric Iron. Biochemistry V. 57 6653 2018.
ISSN: ISSN 1520-4995
PubMed: 30406986
DOI: 10.1021/ACS.BIOCHEM.8B00986