Iodine in PDB 6iuh: Crystal Structure of GIT1 Pbd Domain in Complex with Liprin-ALPHA2

The structure of Crystal Structure of GIT1 Pbd Domain in Complex with Liprin-ALPHA2, PDB code: 6iuh was solved by M.Liang, Z.Wei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.57 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	88.200, 38.617, 99.134, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 26.7

The binding sites of Iodine atom in the Crystal Structure of GIT1 Pbd Domain in Complex with Liprin-ALPHA2 (pdb code 6iuh). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Crystal Structure of GIT1 Pbd Domain in Complex with Liprin-ALPHA2, PDB code: 6iuh:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of GIT1 Pbd Domain in Complex with Liprin-ALPHA2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of GIT1 Pbd Domain in Complex with Liprin-ALPHA2 within 5.0Å range: probe atom residue distance (Å) B Occ A:I801 b:32.9 occ:1.00 N A:ALA703 3.6 27.3 1.0 CD2 A:LEU648 3.7 38.1 1.0 N A:LEU704 3.8 24.4 1.0 CA A:PRO702 4.0 29.3 1.0 CB A:PRO702 4.0 31.1 1.0 CG A:LEU648 4.0 38.6 1.0 CG A:PRO699 4.2 24.4 1.0 CD A:PRO699 4.2 25.3 1.0 CG A:LEU704 4.2 23.9 1.0 C A:PRO702 4.2 27.8 1.0 CB A:LEU704 4.2 18.7 1.0 CG2 A:VAL707 4.3 21.6 1.0 CD1 A:LEU704 4.3 21.5 1.0 CA A:ALA703 4.4 30.3 1.0 CB A:ALA703 4.5 33.5 1.0 CB A:VAL707 4.6 20.6 1.0 C A:ALA703 4.7 26.4 1.0 CA A:LEU704 4.7 19.7 1.0 CG1 A:VAL707 4.7 20.4 1.0 N A:LEU648 4.9 38.5 1.0 CD1 A:LEU648 5.0 41.4 1.0

Iodine binding site 2 out of 3 in the Crystal Structure of GIT1 Pbd Domain in Complex with Liprin-ALPHA2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of GIT1 Pbd Domain in Complex with Liprin-ALPHA2 within 5.0Å range: probe atom residue distance (Å) B Occ B:I801 b:36.9 occ:1.00 CD2 B:LEU648 3.7 46.7 1.0 N B:ALA703 3.8 35.2 1.0 N B:LEU704 3.9 28.2 1.0 CG B:LEU648 4.1 49.2 1.0 CD B:PRO699 4.2 34.7 1.0 CG B:PRO699 4.2 39.2 1.0 CB B:LEU704 4.2 23.8 1.0 CG B:LEU704 4.2 28.8 1.0 CG2 B:VAL707 4.3 22.1 1.0 CA B:PRO702 4.4 43.1 1.0 CD1 B:LEU704 4.4 29.6 1.0 C B:PRO702 4.5 33.2 1.0 CA B:ALA703 4.6 36.5 1.0 CB B:PRO702 4.6 52.3 1.0 CB B:ALA703 4.6 36.5 1.0 N B:LEU648 4.6 56.9 1.0 CB B:VAL707 4.6 23.5 1.0 CG1 B:VAL707 4.7 24.0 1.0 CA B:LEU704 4.7 26.6 1.0 C B:GLY647 4.7 61.9 1.0 C B:ALA703 4.8 34.9 1.0 CA B:LEU648 4.9 49.5 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of GIT1 Pbd Domain in Complex with Liprin-ALPHA2


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of GIT1 Pbd Domain in Complex with Liprin-ALPHA2 within 5.0Å range: probe atom residue distance (Å) B Occ B:I802 b:35.9 occ:0.83 N B:PHE739 3.8 34.3 1.0 CG B:GLN740 4.2 47.6 1.0 CB B:PHE739 4.2 44.9 1.0 CD2 B:PHE739 4.3 53.5 1.0 N B:GLN740 4.3 28.1 1.0 O B:VAL737 4.3 35.1 1.0 NE2 B:GLN740 4.4 57.5 1.0 CA B:PHE739 4.5 35.6 1.0 OD1 B:ASP738 4.5 32.4 1.0 CA B:ASP738 4.6 36.8 1.0 C B:ASP738 4.6 33.1 1.0 CG B:PHE739 4.8 59.7 1.0 CD B:GLN740 4.8 61.7 1.0 C B:PHE739 4.9 28.0 1.0

M.Liang, X.Xie, J.Pan, G.Jin, C.Yu, Z.Wei. Structural Basis of the Target-Binding Mode of the G Protein-Coupled Receptor Kinase-Interacting Protein in the Regulation of Focal Adhesion Dynamics. J. Biol. Chem. V. 294 5827 2019.
ISSN: ESSN 1083-351X
PubMed: 30737283
DOI: 10.1074/JBC.RA118.006915