Iron in PDB 4rap: Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407

The structure of Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407, PDB code: 4rap was solved by Q.Yao, Q.Lu, Y.Xu, F.Shao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.92 / 2.88
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	87.794, 314.368, 164.527, 90.00, 101.44, 90.00
R / Rfree (%)	20.8 / 24.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407 (pdb code 4rap). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407, PDB code: 4rap:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in the Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407


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 Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:59.2 occ:1.00 SG A:CYS342 2.2 56.0 1.0 SG A:CYS370 2.3 51.2 1.0 SG A:CYS339 2.7 45.0 1.0 SG A:CYS358 3.0 50.4 1.0 CB A:CYS342 4.0 38.6 1.0 CB A:CYS370 4.1 35.3 1.0 CB A:CYS339 4.4 34.6 1.0 CB A:CYS358 4.6 45.0 1.0 N A:CYS370 4.9 78.6 1.0 CA A:CYS358 4.9 49.0 1.0

Iron binding site 2 out of 12 in the Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407


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 Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:60.4 occ:1.00 SG B:CYS342 2.2 56.7 1.0 SG B:CYS370 2.3 51.7 1.0 SG B:CYS358 2.6 58.6 1.0 SG B:CYS339 2.9 46.2 1.0 CB B:CYS342 4.1 38.4 1.0 CB B:CYS370 4.2 27.0 1.0 CB B:CYS358 4.2 49.2 1.0 CB B:CYS339 4.6 39.0 1.0 CD B:PRO359 4.7 57.4 1.0 CA B:CYS358 4.7 56.1 1.0 N B:CYS370 4.9 67.0 1.0 CA B:PHE368 4.9 36.1 1.0 N B:PHE368 4.9 52.8 1.0

Iron binding site 3 out of 12 in the Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407


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 Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe501 b:54.8 occ:1.00 SG C:CYS370 2.3 42.9 1.0 SG C:CYS342 2.4 43.7 1.0 SG C:CYS339 2.7 38.8 1.0 SG C:CYS358 2.9 43.9 1.0 CB C:CYS370 4.2 24.7 1.0 CB C:CYS342 4.2 13.2 1.0 CB C:CYS339 4.4 28.2 1.0 CB C:CYS358 4.5 37.2 1.0 N C:CYS370 4.8 50.3 1.0 CA C:CYS358 4.8 36.7 1.0 ND1 C:HIS361 4.9 54.1 1.0 N C:PHE368 5.0 35.3 1.0 CA C:CYS370 5.0 38.3 1.0

Iron binding site 4 out of 12 in the Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407


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 Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:63.2 occ:1.00 SG D:CYS342 2.2 46.4 1.0 SG D:CYS370 2.3 53.7 1.0 SG D:CYS339 2.7 44.6 1.0 SG D:CYS358 2.9 55.5 1.0 CB D:CYS342 4.1 30.6 1.0 CB D:CYS370 4.2 27.4 1.0 CB D:CYS358 4.5 38.1 1.0 CB D:CYS339 4.5 25.7 1.0 CA D:CYS358 4.8 48.9 1.0 N D:CYS370 4.9 67.6 1.0

Iron binding site 5 out of 12 in the Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407 within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe1400 b:57.4 occ:1.00 SG E:CYS370 2.1 56.0 1.0 SG E:CYS342 2.3 42.9 1.0 SG E:CYS339 2.8 37.9 1.0 SG E:CYS358 2.9 41.4 1.0 CB E:CYS370 4.0 30.9 1.0 CB E:CYS342 4.1 28.9 1.0 CB E:CYS358 4.4 40.6 1.0 CB E:CYS339 4.5 32.2 1.0 CA E:CYS358 4.7 39.7 1.0 CA E:PHE368 4.8 36.2 1.0 N E:PHE368 4.8 48.5 1.0 N E:CYS370 4.8 68.5 1.0 CA E:CYS370 4.9 39.0 1.0

Iron binding site 6 out of 12 in the Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407 within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe501 b:55.4 occ:1.00 SG F:CYS342 2.4 52.9 1.0 SG F:CYS370 2.4 52.1 1.0 SG F:CYS339 2.6 46.6 1.0 SG F:CYS358 2.7 48.2 1.0 CB F:CYS342 4.2 31.9 1.0 CB F:CYS370 4.3 31.2 1.0 CB F:CYS339 4.3 33.2 1.0 CB F:CYS358 4.4 47.3 1.0 CA F:CYS358 4.8 43.6 1.0 N F:CYS370 4.9 61.0 1.0 N F:PHE368 4.9 49.9 1.0 CA F:PHE368 5.0 30.5 1.0 ND1 F:HIS361 5.0 60.0 1.0

Iron binding site 7 out of 12 in the Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407 within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe1400 b:57.6 occ:1.00 SG G:CYS342 2.3 43.8 1.0 SG G:CYS370 2.3 42.6 1.0 SG G:CYS339 2.9 46.0 1.0 SG G:CYS358 2.9 46.0 1.0 CB G:CYS342 4.2 16.5 1.0 CB G:CYS370 4.2 20.8 1.0 CB G:CYS358 4.5 37.5 1.0 CB G:CYS339 4.6 22.2 1.0 CA G:CYS358 4.8 38.6 1.0 N G:CYS370 4.8 61.2 1.0 N G:PHE368 4.9 43.7 1.0 CA G:PHE368 4.9 35.5 1.0

Iron binding site 8 out of 12 in the Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407 within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe501 b:60.4 occ:1.00 SG H:CYS370 2.4 50.7 1.0 SG H:CYS342 2.4 46.5 1.0 SG H:CYS339 2.7 49.1 1.0 SG H:CYS358 3.0 52.3 1.0 CB H:CYS370 4.2 28.1 1.0 CB H:CYS342 4.3 32.1 1.0 CB H:CYS339 4.3 36.7 1.0 CB H:CYS358 4.5 34.6 1.0 CA H:CYS358 4.8 41.5 1.0 N H:CYS370 4.8 70.3 1.0 N H:PHE368 5.0 51.3 1.0 CA H:PHE368 5.0 39.1 1.0

Iron binding site 9 out of 12 in the Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407 within 5.0Å range: probe atom residue distance (Å) B Occ I:Fe501 b:58.2 occ:1.00 SG I:CYS342 2.3 49.4 1.0 SG I:CYS370 2.4 55.8 1.0 SG I:CYS339 2.8 42.0 1.0 SG I:CYS358 2.8 52.7 1.0 CB I:CYS342 4.2 30.3 1.0 CB I:CYS370 4.2 27.1 1.0 CB I:CYS358 4.4 40.0 1.0 CB I:CYS339 4.5 24.0 1.0 CA I:CYS358 4.8 43.7 1.0 N I:CYS370 4.9 60.8 1.0 N I:PHE368 4.9 42.9 1.0

Iron binding site 10 out of 12 in the Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of Bacterial Iron-Containing Dodecameric Glycosyltransferase Tibc From Enterotoxigenic E.Coli H10407 within 5.0Å range: probe atom residue distance (Å) B Occ J:Fe501 b:57.0 occ:1.00 SG J:CYS342 2.3 42.6 1.0 SG J:CYS370 2.5 46.5 1.0 SG J:CYS339 2.8 40.2 1.0 SG J:CYS358 2.9 40.2 1.0 CB J:CYS342 4.1 22.3 1.0 CB J:CYS370 4.3 24.7 1.0 CB J:CYS339 4.4 21.4 1.0 CB J:CYS358 4.5 34.7 1.0 ND1 J:HIS361 4.9 44.9 1.0 CA J:CYS358 4.9 32.3 1.0 N J:CYS370 4.9 50.0 1.0

Q.Yao, Q.Lu, X.Wan, F.Song, Y.Xu, M.Hu, A.Zamyatina, X.Liu, N.Huang, P.Zhu, F.Shao. A Structural Mechanism For Bacterial Autotransporter Glycosylation By A Dodecameric Heptosyltransferase Family. Elife V. 3 2014.
ISSN: ESSN 2050-084X
PubMed: 25310236
DOI: 10.7554/ELIFE.03714