Iron in PDB 6h7f: Crystal Structure of Baua, the Ferric Preacinetobactin Receptor From Acinetobacter Baumannii in Complex with FE3+-Preacinetobactin- Acinetobactin

The structure of Crystal Structure of Baua, the Ferric Preacinetobactin Receptor From Acinetobacter Baumannii in Complex with FE3+-Preacinetobactin- Acinetobactin, PDB code: 6h7f was solved by L.Moynie, J.H.Naismith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.93 / 2.26
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	179.640, 220.650, 101.140, 90.00, 99.09, 90.00
R / Rfree (%)	18.6 / 21.7

The binding sites of Iron atom in the Crystal Structure of Baua, the Ferric Preacinetobactin Receptor From Acinetobacter Baumannii in Complex with FE3+-Preacinetobactin- Acinetobactin (pdb code 6h7f). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of Baua, the Ferric Preacinetobactin Receptor From Acinetobacter Baumannii in Complex with FE3+-Preacinetobactin- Acinetobactin, PDB code: 6h7f:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of Baua, the Ferric Preacinetobactin Receptor From Acinetobacter Baumannii in Complex with FE3+-Preacinetobactin- Acinetobactin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Baua, the Ferric Preacinetobactin Receptor From Acinetobacter Baumannii in Complex with FE3+-Preacinetobactin- Acinetobactin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe801 b:28.6 occ:1.00 OAD A:FV8802 2.0 27.5 1.0 OAE A:FV8802 2.0 24.8 1.0 OAD A:OPV803 2.0 32.4 0.5 OAD A:OPZ804 2.0 31.3 0.5 OAE A:OPZ804 2.0 29.9 0.5 OAE A:OPV803 2.0 29.7 0.5 N A:FV8802 2.0 23.4 1.0 NAO A:FV8802 2.1 28.4 1.0 CAU A:OPZ804 2.8 34.4 0.5 CAS A:OPZ804 2.8 33.6 0.5 CAS A:OPV803 2.8 31.0 0.5 CAU A:OPV803 2.8 36.0 0.5 NAY A:FV8802 2.8 20.8 1.0 CAI A:FV8802 3.0 28.0 1.0 CA A:FV8802 3.1 21.2 1.0 CAR A:FV8802 3.1 29.7 1.0 CAU A:FV8802 3.1 29.0 1.0 CAT A:FV8802 3.2 29.6 1.0 C A:FV8802 3.4 24.3 1.0 CAV A:FV8802 3.5 28.0 1.0 CAK A:FV8802 3.7 26.8 1.0 O A:HOH1032 3.9 30.0 1.0 CAL A:FV8802 3.9 25.5 1.0 O A:HOH911 3.9 34.5 1.0 NH2 A:ARG253 4.1 24.6 1.0 CAV A:OPZ804 4.1 36.7 0.5 CAG A:OPZ804 4.2 35.5 0.5 CAG A:OPV803 4.2 31.2 0.5 NAN A:FV8802 4.2 24.2 1.0 CAV A:OPV803 4.2 39.3 0.5 OG1 A:FV8802 4.2 26.6 1.0 CAJ A:FV8802 4.3 27.6 1.0 N A:OPZ804 4.3 44.2 0.5 CB A:FV8802 4.3 26.8 1.0 CAS A:FV8802 4.3 34.9 1.0 CD1 A:LEU684 4.4 31.2 1.0 CD2 A:LEU336 4.5 35.6 1.0 O A:FV8802 4.5 23.3 1.0 O2 A:EDO823 4.5 52.5 1.0 OAC A:FV8802 4.5 36.2 1.0 NH1 A:ARG253 4.6 25.5 1.0 N A:OPV803 4.7 52.2 0.5 CAQ A:OPZ804 4.7 37.0 0.5 CZ A:ARG253 4.8 29.8 1.0 CAH A:FV8802 4.9 28.9 1.0 CAQ A:OPV803 5.0 48.4 0.5

Iron binding site 2 out of 3 in the Crystal Structure of Baua, the Ferric Preacinetobactin Receptor From Acinetobacter Baumannii in Complex with FE3+-Preacinetobactin- Acinetobactin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Baua, the Ferric Preacinetobactin Receptor From Acinetobacter Baumannii in Complex with FE3+-Preacinetobactin- Acinetobactin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe801 b:32.5 occ:1.00 OAD B:FV8802 2.0 39.8 1.0 OAD B:OPZ803 2.0 24.8 1.0 OAE B:FV8802 2.0 29.9 1.0 OAE B:OPZ803 2.0 31.9 1.0 N B:FV8802 2.0 29.6 1.0 NAO B:FV8802 2.0 35.4 1.0 CAS B:OPZ803 2.8 27.5 1.0 CAU B:OPZ803 2.8 28.1 1.0 NAY B:FV8802 2.9 27.9 1.0 CAI B:FV8802 3.0 37.1 1.0 CA B:FV8802 3.0 28.6 1.0 CAR B:FV8802 3.1 40.8 1.0 CAU B:FV8802 3.1 40.2 1.0 CAT B:FV8802 3.1 30.3 1.0 C B:FV8802 3.4 28.1 1.0 CAV B:FV8802 3.5 41.9 1.0 CAK B:FV8802 3.6 29.9 1.0 O B:HOH954 3.9 34.8 1.0 CAL B:FV8802 3.9 26.7 1.0 O B:HOH926 3.9 42.1 1.0 NH2 B:ARG253 4.1 27.2 1.0 NAN B:FV8802 4.2 31.3 1.0 CAG B:OPZ803 4.2 27.0 1.0 CAV B:OPZ803 4.2 35.2 1.0 CAJ B:FV8802 4.2 29.5 1.0 OG1 B:FV8802 4.3 33.2 1.0 CB B:FV8802 4.3 34.5 1.0 CAS B:FV8802 4.3 44.5 1.0 CD1 B:LEU684 4.3 35.0 1.0 NH1 B:ARG253 4.5 21.3 1.0 O B:FV8802 4.5 28.1 1.0 CD2 B:LEU336 4.6 35.1 1.0 OAC B:FV8802 4.6 36.1 1.0 N B:OPZ803 4.6 46.5 1.0 O1 B:EDO828 4.7 48.8 1.0 CZ B:ARG253 4.8 30.1 1.0 CAH B:FV8802 4.9 41.3 1.0 O2 B:EDO828 4.9 52.5 1.0 CAQ B:OPZ803 4.9 39.5 1.0

Iron binding site 3 out of 3 in the Crystal Structure of Baua, the Ferric Preacinetobactin Receptor From Acinetobacter Baumannii in Complex with FE3+-Preacinetobactin- Acinetobactin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Baua, the Ferric Preacinetobactin Receptor From Acinetobacter Baumannii in Complex with FE3+-Preacinetobactin- Acinetobactin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe801 b:27.0 occ:1.00 OAD C:FV8802 2.0 22.8 1.0 OAE C:FV8802 2.0 24.6 1.0 OAE C:OPZ803 2.0 29.2 1.0 OAD C:OPZ803 2.0 32.6 1.0 N C:FV8802 2.0 25.0 1.0 NAO C:FV8802 2.1 26.6 1.0 NAY C:FV8802 2.8 25.2 1.0 CAU C:OPZ803 2.8 28.4 1.0 CAS C:OPZ803 2.9 26.9 1.0 CAI C:FV8802 2.9 26.3 1.0 CA C:FV8802 3.1 27.1 1.0 CAR C:FV8802 3.1 24.6 1.0 CAU C:FV8802 3.1 30.6 1.0 CAT C:FV8802 3.2 25.1 1.0 C C:FV8802 3.4 27.4 1.0 CAV C:FV8802 3.5 28.5 1.0 CAK C:FV8802 3.7 27.8 1.0 CAL C:FV8802 3.9 24.7 1.0 O C:HOH925 3.9 30.3 1.0 NAN C:FV8802 4.1 24.2 1.0 CAV C:OPZ803 4.2 32.3 1.0 NH2 C:ARG253 4.2 26.2 1.0 O C:HOH1061 4.2 40.0 1.0 OG1 C:FV8802 4.2 24.7 1.0 CAJ C:FV8802 4.2 27.7 1.0 CAG C:OPZ803 4.2 32.3 1.0 CD1 C:LEU684 4.3 33.9 1.0 CAS C:FV8802 4.3 32.4 1.0 CB C:FV8802 4.3 26.5 1.0 N C:OPZ803 4.5 47.2 1.0 O C:FV8802 4.5 24.5 1.0 CD2 C:LEU336 4.5 26.5 1.0 OAC C:FV8802 4.5 31.1 1.0 NH1 C:ARG253 4.6 26.8 1.0 O1 C:EDO830 4.8 56.7 1.0 CAQ C:OPZ803 4.9 40.8 1.0 CZ C:ARG253 4.9 25.6 1.0 CAH C:FV8802 4.9 26.1 1.0

L.Moynie, I.Serra, M.A.Scorciapino, E.Oueis, M.G.Page, M.Ceccarelli, J.H.Naismith. Preacinetobactin Not Acinetobactin Is Essential For Iron Uptake By the Baua Transporter of the Pathogenacinetobacter Baumannii. Elife V. 7 2018.
ISSN: ESSN 2050-084X
PubMed: 30558715
DOI: 10.7554/ELIFE.42270