Iron in PDB 1kmp: Crystal Structure of the Outer Membrane Transporter Feca Complexed with Ferric Citrate

The structure of Crystal Structure of the Outer Membrane Transporter Feca Complexed with Ferric Citrate, PDB code: 1kmp was solved by A.D.Ferguson, R.Chakraborty, B.S.Smith, L.Esser, D.Van Der Helm, J.Deisenhofer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.95 / 2.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	117.467, 88.762, 95.071, 90.00, 90.00, 90.00
R / Rfree (%)	24.2 / 28.2

The binding sites of Iron atom in the Crystal Structure of the Outer Membrane Transporter Feca Complexed with Ferric Citrate (pdb code 1kmp). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Outer Membrane Transporter Feca Complexed with Ferric Citrate, PDB code: 1kmp:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Outer Membrane Transporter Feca Complexed with Ferric Citrate


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 the Outer Membrane Transporter Feca Complexed with Ferric Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2000 b:52.7 occ:1.00 O3 A:CIT2003 2.0 53.6 1.0 O7 A:CIT2003 2.0 55.5 1.0 O1 A:CIT2001 2.0 55.1 1.0 O7 A:CIT2001 2.0 55.2 1.0 O5 A:CIT2001 2.0 53.4 1.0 C6 A:CIT2001 2.8 52.0 1.0 C3 A:CIT2001 2.8 53.1 1.0 C5 A:CIT2003 2.9 53.9 1.0 C3 A:CIT2003 3.0 56.5 1.0 C1 A:CIT2001 3.0 52.0 1.0 FE A:FE2002 3.1 58.7 1.0 C4 A:CIT2003 3.2 55.8 1.0 C2 A:CIT2001 3.4 52.0 1.0 O5 A:CIT2003 3.6 58.8 1.0 C6 A:CIT2003 3.6 57.8 1.0 OG1 A:THR138 4.0 23.7 1.0 O6 A:CIT2001 4.0 51.9 1.0 O4 A:CIT2003 4.0 53.7 1.0 CG2 A:THR138 4.0 16.9 1.0 NH1 A:ARG380 4.1 12.5 1.0 O4 A:CIT2001 4.1 57.2 1.0 O2 A:CIT2001 4.1 51.3 1.0 NH2 A:ARG380 4.2 3.9 1.0 OE1 A:GLN570 4.2 43.4 1.0 C4 A:CIT2001 4.2 53.0 1.0 C2 A:CIT2003 4.3 54.9 1.0 CD A:GLN570 4.3 42.9 1.0 NH2 A:ARG155 4.3 15.9 1.0 NE2 A:GLN570 4.4 42.1 1.0 NH1 A:ARG365 4.5 12.0 1.0 CZ A:ARG380 4.5 10.5 1.0 O2 A:CIT2003 4.5 55.2 1.0 CB A:THR138 4.6 19.1 1.0 O6 A:CIT2003 4.6 60.5 1.0 C5 A:CIT2001 4.7 56.0 1.0 C1 A:CIT2003 4.9 54.4 1.0 CG A:GLN570 5.0 42.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Outer Membrane Transporter Feca Complexed with Ferric Citrate


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 the Outer Membrane Transporter Feca Complexed with Ferric Citrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2002 b:58.7 occ:1.00 O4 A:CIT2001 2.0 57.2 1.0 O2 A:CIT2003 2.0 55.2 1.0 O7 A:CIT2001 2.0 55.2 1.0 O5 A:CIT2003 2.0 58.8 1.0 O7 A:CIT2003 2.0 55.5 1.0 C6 A:CIT2003 2.8 57.8 1.0 C3 A:CIT2003 2.8 56.5 1.0 C5 A:CIT2001 2.9 56.0 1.0 O A:HOH806 3.0 10.8 1.0 C3 A:CIT2001 3.0 53.1 1.0 C1 A:CIT2003 3.0 54.4 1.0 FE A:FE2000 3.1 52.7 1.0 C4 A:CIT2001 3.3 53.0 1.0 NE2 A:GLN570 3.3 42.1 1.0 C2 A:CIT2003 3.4 54.9 1.0 NH2 A:ARG380 3.4 3.9 1.0 O5 A:CIT2001 3.6 53.4 1.0 C6 A:CIT2001 3.7 52.0 1.0 O3 A:CIT2001 3.9 58.5 1.0 O6 A:CIT2003 4.0 60.5 1.0 O A:HOH868 4.1 34.4 1.0 CD A:GLN570 4.1 42.9 1.0 O3 A:CIT2003 4.1 53.6 1.0 O1 A:CIT2003 4.1 55.7 1.0 NH1 A:ARG380 4.2 12.5 1.0 NH1 A:ARG438 4.2 31.4 1.0 C4 A:CIT2003 4.3 55.8 1.0 CZ A:ARG380 4.3 10.5 1.0 C2 A:CIT2001 4.3 52.0 1.0 OE1 A:GLN570 4.4 43.4 1.0 O A:HOH932 4.5 30.3 1.0 O1 A:CIT2001 4.6 55.1 1.0 O6 A:CIT2001 4.7 51.9 1.0 C5 A:CIT2003 4.7 53.9 1.0 C1 A:CIT2001 4.9 52.0 1.0 OD1 A:ASP573 4.9 56.7 1.0

A.D.Ferguson, R.Chakraborty, B.S.Smith, L.Esser, D.Van Der Helm, J.Deisenhofer. Structural Basis of Gating By the Outer Membrane Transporter Feca. Science V. 295 1715 2002.
ISSN: ISSN 0036-8075
PubMed: 11872840
DOI: 10.1126/SCIENCE.1067313