Iodine in PDB 7t7y: The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms

The structure of The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms, PDB code: 7t7y was solved by M.V.Marcelo, B.M.Campos, F.M.Squina, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.61 / 1.81
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.788, 47.267, 79.344, 90, 90, 90
R / Rfree (%)	23.2 / 24.8

The binding sites of Iodine atom in the The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms (pdb code 7t7y). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 7 binding sites of Iodine where determined in the The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms, PDB code: 7t7y:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7;

Iodine binding site 1 out of 7 in the The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms within 5.0Å range: probe atom residue distance (Å) B Occ A:I801 b:1.6 occ:0.38 O A:HOH953 3.1 6.8 1.0 OG1 A:THR650 3.5 3.2 1.0 CD2 A:LEU632 3.6 2.5 1.0 CB A:THR650 3.9 3.3 1.0 CD1 A:LEU648 4.4 3.6 1.0 CG2 A:THR650 4.5 3.4 1.0 CG A:LEU632 4.8 2.0 1.0 CD2 A:LEU648 4.9 3.5 1.0 CB A:LEU648 4.9 3.5 1.0 CG A:LEU648 5.0 3.5 1.0

Iodine binding site 2 out of 7 in the The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms within 5.0Å range: probe atom residue distance (Å) B Occ A:I802 b:8.3 occ:0.52 N A:LEU579 3.5 2.4 1.0 O A:HOH948 3.6 16.1 1.0 O A:HOH914 3.9 11.6 1.0 CG A:LEU579 4.0 2.1 1.0 CB A:LEU579 4.0 2.2 1.0 CD1 A:LEU579 4.2 2.0 1.0 CA A:SER578 4.3 2.6 1.0 CA A:LEU579 4.3 2.3 1.0 C A:SER578 4.4 2.5 1.0 OG A:SER578 4.6 2.8 1.0 OD2 A:ASP571 4.9 2.5 1.0 O A:HIS577 4.9 2.7 1.0

Iodine binding site 3 out of 7 in the The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms within 5.0Å range: probe atom residue distance (Å) B Occ A:I803 b:13.3 occ:0.53 OG A:SER646 3.3 5.2 1.0 N A:GLY645 3.4 4.6 1.0 CA A:GLY645 3.8 4.5 1.0 C A:GLY645 3.8 4.4 1.0 OG A:SER643 4.0 8.2 1.0 C A:VAL644 4.0 4.8 1.0 N A:SER646 4.0 4.2 1.0 O A:SER643 4.1 7.6 1.0 C A:SER643 4.2 5.3 1.0 CB A:SER643 4.2 6.0 1.0 O A:GLY645 4.2 4.2 1.0 N A:VAL644 4.3 4.9 1.0 CB A:SER646 4.3 4.0 1.0 CA A:VAL644 4.5 5.0 1.0 CG2 A:THR636 4.7 5.0 1.0 O A:VAL644 4.7 4.9 1.0 CA A:SER646 4.8 4.0 1.0 CA A:SER643 4.8 4.9 1.0

Iodine binding site 4 out of 7 in the The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms within 5.0Å range: probe atom residue distance (Å) B Occ A:I804 b:12.3 occ:0.52 N A:GLU576 3.9 4.1 1.0 O A:LYS598 4.0 2.9 1.0 CA A:GLY575 4.1 2.8 1.0 C A:GLY575 4.4 2.8 1.0 CG A:LYS598 4.4 3.0 1.0 O A:TRP574 4.5 2.8 1.0 CB A:GLU576 4.5 5.4 1.0 CB A:ALA599 4.5 3.2 1.0 CE A:LYS598 4.7 5.5 1.0 CA A:GLU576 4.8 3.6 1.0 CA A:GLY601 4.8 2.6 1.0 C A:LYS598 4.8 3.1 1.0 CD A:LYS598 4.9 3.1 1.0

Iodine binding site 5 out of 7 in the The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms within 5.0Å range: probe atom residue distance (Å) B Occ A:I805 b:7.7 occ:0.36 N A:LYS679 3.7 6.4 1.0 CA A:GLY678 3.8 6.6 1.0 CE A:LYS639 4.1 5.3 1.0 NZ A:LYS639 4.2 5.8 1.0 C A:GLY678 4.2 6.3 1.0 CB A:LYS679 4.7 6.5 1.0 CA A:LYS679 4.8 6.2 1.0 O A:SER677 4.8 6.4 1.0 CG A:LYS679 4.8 6.7 1.0 N A:GLY678 5.0 6.4 1.0

Iodine binding site 6 out of 7 in the The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms within 5.0Å range: probe atom residue distance (Å) B Occ A:I806 b:21.8 occ:0.52 CA A:GLY690 3.8 3.1 1.0 O A:GLY690 3.9 3.3 1.0 C A:GLY690 3.9 3.4 1.0 CE2 A:TYR600 4.0 3.8 1.0 CA A:ALA599 4.1 3.3 1.0 CB A:ALA599 4.5 3.2 1.0 CD2 A:TYR600 4.6 3.6 1.0 N A:ASP691 4.6 3.6 1.0 N A:ALA599 4.7 3.2 1.0 CZ A:TYR600 5.0 3.9 1.0

Iodine binding site 7 out of 7 in the The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of The Crystal Structure of Family 8 Carbohydrate-Binding Module From Dictyostelium Discoideum Complexed with Iodine Atoms within 5.0Å range: probe atom residue distance (Å) B Occ A:I807 b:5.2 occ:0.84 CB A:SER646 4.1 4.0 1.0 O A:SER646 4.1 4.0 1.0 C A:SER646 4.1 3.9 1.0 N A:LEU648 4.1 3.6 1.0 CG A:LEU648 4.1 3.5 1.0 C A:LYS647 4.1 3.6 1.0 CG A:ARG634 4.2 6.0 0.5 N A:LYS647 4.2 3.8 1.0 CD2 A:LEU648 4.2 3.5 1.0 CA A:LYS647 4.2 3.7 1.0 CD A:ARG634 4.4 7.9 0.5 NE A:ARG634 4.5 11.6 0.3 O A:HOH912 4.6 9.9 1.0 O A:LYS647 4.6 3.5 1.0 CA A:SER646 4.8 4.0 1.0 CA A:LEU648 4.9 3.5 1.0 CB A:ARG634 5.0 3.5 1.0

M.V.Liberato, B.M.Campos, G.Tomazetto, L.I.Crouch, W.Garcia, A.C.M.Zeri, D.N.Bolam, F.M.Squina. Unique Properties of A Dictyostelium Discoideum Carbohydrate-Binding Module Expand Our Understanding of Cbm-Ligand Interactions. J.Biol.Chem. V. 298 01891 2022.
ISSN: ESSN 1083-351X
PubMed: 35378128
DOI: 10.1016/J.JBC.2022.101891