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

Protein crystallography data

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

Iron Binding Sites:

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 6h7f

Go back to Iron Binding Sites List in 6h7f
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 6h7f

Go back to Iron Binding Sites List in 6h7f
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 6h7f

Go back to Iron Binding Sites List in 6h7f
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

Reference:

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
Page generated: Sun Dec 13 16:28:24 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy