Iron in PDB 4rb4: Crystal Structure of Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution

The structure of Crystal Structure of Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution, PDB code: 4rb4 was solved by Q.Yao, Q.Lu, F.Shao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.04 / 3.88
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	88.292, 313.196, 164.695, 90.00, 101.26, 90.00
R / Rfree (%)	28.2 / 29.5

Pages:

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

Binding sites:

The binding sites of Iron atom in the Crystal Structure of Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution (pdb code 4rb4). 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 Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution, PDB code: 4rb4:
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 Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution


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 Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ K:Fe501 b:0.0 occ:1.00 SG K:CYS358 1.9 0.0 1.0 SG K:CYS342 2.5 0.0 1.0 SG K:CYS339 2.7 0.0 1.0 SG K:CYS370 3.5 0.0 1.0 CB K:CYS358 3.8 0.0 1.0 CB K:CYS342 4.1 0.0 1.0 CB K:CYS339 4.3 0.0 1.0 CA K:CYS358 4.6 0.0 1.0 CD K:PRO359 4.9 0.0 1.0

Iron binding site 2 out of 12 in the Crystal Structure of Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution


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 Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ L:Fe501 b:0.0 occ:1.00 SG L:CYS342 1.7 0.0 1.0 SG L:CYS370 1.9 0.0 1.0 SG L:CYS358 2.0 0.0 1.0 SG L:CYS339 2.6 0.0 1.0 CB L:CYS342 3.6 0.0 1.0 CB L:CYS370 3.8 0.0 1.0 CB L:CYS358 3.8 0.0 1.0 CB L:CYS339 4.2 0.0 1.0 CA L:CYS358 4.6 0.0 1.0 CA L:CYS342 4.6 0.0 1.0 N L:CYS342 4.8 0.0 1.0 N L:CYS370 4.8 0.0 1.0 CA L:CYS370 4.8 0.0 1.0 CD L:PRO359 4.9 0.0 1.0

Iron binding site 3 out of 12 in the Crystal Structure of Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution


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 Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe501 b:0.0 occ:1.00 SG C:CYS370 1.8 0.0 1.0 SG C:CYS342 1.9 0.0 1.0 SG C:CYS339 2.6 0.0 1.0 SG C:CYS358 3.6 0.0 1.0 CB C:CYS370 3.7 0.0 1.0 CB C:CYS342 3.8 0.0 1.0 CB C:CYS339 4.2 0.0 1.0 N C:CYS370 4.6 0.0 1.0 CA C:CYS370 4.7 0.0 1.0 CD C:PRO359 4.8 0.0 1.0 CA C:CYS342 4.9 0.0 1.0 N C:CYS342 4.9 0.0 1.0 CB C:CYS358 5.0 0.0 1.0

Iron binding site 4 out of 12 in the Crystal Structure of Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution


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 Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe501 b:0.0 occ:1.00 SG D:CYS370 1.8 0.0 1.0 SG D:CYS342 1.9 0.0 1.0 SG D:CYS358 2.1 0.0 1.0 SG D:CYS339 2.7 0.0 1.0 CB D:CYS370 3.6 0.0 1.0 CB D:CYS342 3.7 0.0 1.0 CB D:CYS358 3.9 0.0 1.0 CB D:CYS339 4.2 0.0 1.0 N D:CYS370 4.6 0.0 1.0 CA D:CYS370 4.6 0.0 1.0 CA D:CYS358 4.7 0.0 1.0 CA D:CYS342 4.8 0.0 1.0 N D:CYS342 4.9 0.0 1.0

Iron binding site 5 out of 12 in the Crystal Structure of Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution


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 Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe501 b:0.0 occ:1.00 SG E:CYS342 1.7 0.0 1.0 SG E:CYS358 2.0 0.0 1.0 SG E:CYS339 3.2 0.0 1.0 CB E:CYS342 3.5 0.0 1.0 SG E:CYS370 3.7 0.0 1.0 CB E:CYS358 3.9 0.0 1.0 CA E:CYS342 4.7 0.0 1.0 CA E:CYS358 4.7 0.0 1.0 O E:CYS339 4.7 0.0 1.0 N E:CYS342 4.8 0.0 1.0 CB E:CYS339 4.9 0.0 1.0 CD E:PRO359 5.0 0.0 1.0

Iron binding site 6 out of 12 in the Crystal Structure of Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution


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 Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe501 b:0.0 occ:1.00 SG H:CYS370 1.8 0.0 1.0 SG H:CYS342 1.9 0.0 1.0 SG H:CYS358 2.0 0.0 1.0 SG H:CYS339 2.5 0.0 1.0 CB H:CYS370 3.7 0.0 1.0 CB H:CYS342 3.7 0.0 1.0 CB H:CYS358 3.9 0.0 1.0 CB H:CYS339 4.2 0.0 1.0 N H:CYS370 4.6 0.0 1.0 CA H:CYS370 4.7 0.0 1.0 CA H:CYS358 4.7 0.0 1.0 CA H:CYS342 4.8 0.0 1.0 N H:CYS342 4.9 0.0 1.0

Iron binding site 7 out of 12 in the Crystal Structure of Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution


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 Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:0.0 occ:1.00 SG B:CYS370 1.8 0.0 1.0 SG B:CYS358 2.0 0.0 1.0 SG B:CYS342 2.1 0.0 1.0 SG B:CYS339 2.6 0.0 1.0 CB B:CYS370 3.6 0.0 1.0 CB B:CYS358 3.9 0.0 1.0 CB B:CYS342 3.9 0.0 1.0 CB B:CYS339 4.1 0.0 1.0 N B:CYS370 4.5 0.0 1.0 CA B:CYS370 4.6 0.0 1.0 CA B:CYS358 4.7 0.0 1.0 CA B:CYS342 5.0 0.0 1.0

Iron binding site 8 out of 12 in the Crystal Structure of Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution


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 Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe501 b:0.0 occ:1.00 SG F:CYS370 1.7 0.0 1.0 SG F:CYS342 1.9 0.0 1.0 SG F:CYS358 2.0 0.0 1.0 SG F:CYS339 2.6 0.0 1.0 CB F:CYS370 3.6 0.0 1.0 CB F:CYS342 3.8 0.0 1.0 CB F:CYS358 3.9 0.0 1.0 CB F:CYS339 4.2 0.0 1.0 N F:CYS370 4.6 0.0 1.0 CA F:CYS370 4.6 0.0 1.0 CA F:CYS358 4.7 0.0 1.0 CA F:CYS342 4.9 0.0 1.0 N F:CYS342 4.9 0.0 1.0 C F:CYS339 5.0 0.0 1.0

Iron binding site 9 out of 12 in the Crystal Structure of Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution


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 Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe501 b:0.0 occ:1.00 SG G:CYS370 1.7 0.0 1.0 SG G:CYS342 2.6 0.0 1.0 SG G:CYS339 3.0 0.0 1.0 CB G:CYS370 3.5 0.0 1.0 CB G:CYS342 3.6 0.0 1.0 SG G:CYS358 3.7 0.0 1.0 N G:CYS370 4.6 0.0 1.0 CA G:CYS370 4.7 0.0 1.0 CB G:CYS339 4.8 0.0 1.0 CA G:CYS342 4.8 0.0 1.0 N G:CYS342 4.9 0.0 1.0

Iron binding site 10 out of 12 in the Crystal Structure of Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution


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 Dodecameric Iron-Containing Heptosyltransferase Tibc in Complex with Adp-D-Beta-D-Heptose at 3.9 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ I:Fe501 b:0.0 occ:1.00 SG I:CYS342 1.8 0.0 1.0 SG I:CYS358 2.1 0.0 1.0 SG I:CYS370 2.5 0.0 1.0 SG I:CYS339 3.1 0.0 1.0 CB I:CYS342 3.6 0.0 1.0 CB I:CYS358 4.0 0.0 1.0 CB I:CYS370 4.2 0.0 1.0 CB I:CYS339 4.5 0.0 1.0 O I:CYS339 4.6 0.0 1.0 CA I:CYS342 4.7 0.0 1.0 C I:CYS339 4.8 0.0 1.0 CA I:CYS358 4.8 0.0 1.0 N I:CYS342 4.9 0.0 1.0 N I:CYS370 4.9 0.0 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