Iron in PDB 3lyq: Crystal Structure of IPGB2 From Shigella Flexneri

The structure of Crystal Structure of IPGB2 From Shigella Flexneri, PDB code: 3lyq was solved by B.U.Klink, S.Barden, T.V.Heidler, C.Borchers, M.Ladwein, T.E.B.Stradal, K.Rottner, D.W.Heinz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.88 / 2.30
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	114.080, 114.080, 88.770, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 29.2

The binding sites of Iron atom in the Crystal Structure of IPGB2 From Shigella Flexneri (pdb code 3lyq). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of IPGB2 From Shigella Flexneri, PDB code: 3lyq:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of IPGB2 From Shigella Flexneri


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 IPGB2 From Shigella Flexneri within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:44.3 occ:0.50 FE1 A:FEO401 0.0 44.3 0.5 OB1 A:FLC301 1.8 58.7 1.0 O A:FEO401 1.8 43.5 0.5 CBC A:FLC301 2.8 56.2 1.0 CGC A:FLC301 2.9 62.2 1.0 CA A:FLC301 3.0 55.0 1.0 OG2 A:FLC301 3.0 65.6 1.0 CB A:FLC301 3.1 57.0 1.0 FE2 A:FEO401 3.2 42.4 0.5 CG A:FLC301 3.4 59.5 1.0 OG1 A:FLC301 3.4 61.4 1.0 OHB B:FLC302 3.5 36.6 1.0 CAC A:FLC301 3.5 53.0 1.0 OG2 B:FLC302 3.6 34.8 1.0 OA2 A:FLC301 3.6 52.1 1.0 OB2 A:FLC301 3.9 48.4 1.0 CGC B:FLC302 4.4 46.5 1.0 OA1 A:FLC301 4.4 50.8 1.0 OHB A:FLC301 4.5 56.8 1.0 CA B:FLC302 4.7 48.4 1.0 CB B:FLC302 4.9 48.3 1.0 OG1 B:FLC302 5.0 45.3 1.0

Iron binding site 2 out of 4 in the Crystal Structure of IPGB2 From Shigella Flexneri


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 IPGB2 From Shigella Flexneri within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:42.4 occ:0.50 FE2 A:FEO401 0.0 42.4 0.5 OA2 A:FLC301 1.1 52.1 1.0 CAC A:FLC301 1.6 53.0 1.0 O A:FEO401 1.8 43.5 0.5 OA2 B:FLC302 2.0 52.7 1.0 OHB B:FLC302 2.1 36.6 1.0 OA1 A:FLC301 2.3 50.8 1.0 CA B:FLC302 2.4 48.4 1.0 CAC B:FLC302 2.6 51.3 1.0 CA A:FLC301 2.7 55.0 1.0 OB2 B:FLC302 2.9 50.9 1.0 CB B:FLC302 3.0 48.3 1.0 OB1 A:FLC301 3.0 58.7 1.0 FE1 A:FEO401 3.2 44.3 0.5 CBC A:FLC301 3.3 56.2 1.0 OG2 B:FLC302 3.4 34.8 1.0 CBC B:FLC302 3.4 49.5 1.0 CB A:FLC301 3.5 57.0 1.0 OA1 B:FLC302 3.8 51.3 1.0 OHB A:FLC301 4.0 56.8 1.0 OB2 A:FLC301 4.0 48.4 1.0 CG B:FLC302 4.1 47.0 1.0 CGC B:FLC302 4.1 46.5 1.0 NH2 A:ARG142 4.4 48.6 1.0 OB1 B:FLC302 4.7 52.8 1.0 CG A:FLC301 4.7 59.5 1.0 NE A:ARG142 4.9 48.1 1.0 CB A:ARG142 4.9 30.2 1.0 CGC A:FLC301 4.9 62.2 1.0 CZ A:ARG142 5.0 50.2 1.0

Iron binding site 3 out of 4 in the Crystal Structure of IPGB2 From Shigella Flexneri


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 IPGB2 From Shigella Flexneri within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:0.6 occ:0.50 FE1 A:FEO402 0.0 0.6 0.5 O A:FEO402 1.8 0.8 0.5 OD1 A:ASN93 3.1 81.6 1.0 FE2 A:FEO402 3.1 0.1 0.5 CG A:ASN93 4.1 82.5 1.0 ND2 A:ASN93 4.3 82.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure of IPGB2 From Shigella Flexneri


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of IPGB2 From Shigella Flexneri within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:0.1 occ:0.50 FE2 A:FEO402 0.0 0.1 0.5 O A:FEO402 1.8 0.8 0.5 FE1 A:FEO402 3.1 0.6 0.5 OD1 A:ASN93 3.4 81.6 1.0 ND2 A:ASN93 4.0 82.2 1.0 CG A:ASN93 4.0 82.5 1.0

B.U.Klink, S.Barden, T.V.Heidler, C.Borchers, M.Ladwein, T.E.B.Stradal, K.Rottner, D.W.Heinz. Structure of Shigella IPGB2 in Complex with Human Rhoa: Implications For the Mechanism of Bacterial Gef-Mimicry J.Biol.Chem. V. 285 17197 2010.
ISSN: ISSN 0021-9258
PubMed: 20363740
DOI: 10.1074/JBC.M110.107953