Iodine in PDB 3s5q: Crystal Structure of A Putative Glycosyl Hydrolase (BDI_2473) From Parabacteroides Distasonis Atcc 8503 at 1.85 A Resolution

The structure of Crystal Structure of A Putative Glycosyl Hydrolase (BDI_2473) From Parabacteroides Distasonis Atcc 8503 at 1.85 A Resolution, PDB code: 3s5q was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.25 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.062, 60.473, 77.221, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 20.2

The binding sites of Iodine atom in the Crystal Structure of A Putative Glycosyl Hydrolase (BDI_2473) From Parabacteroides Distasonis Atcc 8503 at 1.85 A Resolution (pdb code 3s5q). 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 A Putative Glycosyl Hydrolase (BDI_2473) From Parabacteroides Distasonis Atcc 8503 at 1.85 A Resolution, PDB code: 3s5q:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of A Putative Glycosyl Hydrolase (BDI_2473) From Parabacteroides Distasonis Atcc 8503 at 1.85 A Resolution


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 A Putative Glycosyl Hydrolase (BDI_2473) From Parabacteroides Distasonis Atcc 8503 at 1.85 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I300 b:23.0 occ:0.75 CE1 A:HIS-11 3.7 38.0 1.0 CB A:ASP-15 3.8 30.2 1.0 CA A:GLY-17 3.8 29.6 1.0 N A:ASP-15 3.9 31.4 1.0 C A:GLY-17 3.9 29.1 1.0 N A:SER-16 4.2 30.2 1.0 NE2 A:HIS-11 4.3 38.2 1.0 N A:GLY-17 4.3 29.0 1.0 O A:GLY-17 4.3 28.6 1.0 CA A:ASP-15 4.4 30.4 1.0 ND1 A:HIS-11 4.6 34.3 1.0 O A:ASP-15 4.8 30.7 1.0 C A:SER-16 5.0 31.1 1.0 CG A:ASP-15 5.0 24.4 1.0

Iodine binding site 2 out of 3 in the Crystal Structure of A Putative Glycosyl Hydrolase (BDI_2473) From Parabacteroides Distasonis Atcc 8503 at 1.85 A Resolution


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 A Putative Glycosyl Hydrolase (BDI_2473) From Parabacteroides Distasonis Atcc 8503 at 1.85 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I301 b:20.0 occ:1.00 N A:GLU184 3.7 19.1 1.0 CA A:THR183 3.9 18.9 1.0 CG A:GLU184 4.1 20.1 1.0 CB A:THR183 4.3 19.0 1.0 C A:THR183 4.3 18.5 1.0 CB A:GLU184 4.3 19.6 1.0 CG2 A:THR183 4.6 17.7 1.0 CA A:GLU184 4.6 19.1 1.0 OH A:TYR120 4.7 20.4 1.0 O A:HOH402 4.7 18.5 1.0 O A:GLY182 4.8 19.7 1.0 N A:THR183 5.0 17.8 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of A Putative Glycosyl Hydrolase (BDI_2473) From Parabacteroides Distasonis Atcc 8503 at 1.85 A Resolution


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 A Putative Glycosyl Hydrolase (BDI_2473) From Parabacteroides Distasonis Atcc 8503 at 1.85 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I302 b:39.9 occ:0.50 N A:HIS-7 3.7 25.3 1.0 O A:HOH421 3.8 32.2 1.0 CB A:HIS-8 3.8 22.8 1.0 CA A:HIS-8 3.9 23.3 1.0 NH2 A:ARG146 4.0 25.7 1.0 NE2 A:GLN-1 4.1 27.9 1.0 CD2 A:HIS-8 4.2 23.8 1.0 C A:HIS-8 4.3 24.4 1.0 CG A:HIS-8 4.4 22.2 1.0 OE1 A:GLN-1 4.5 25.6 1.0 NH1 A:ARG146 4.5 31.1 1.0 CD2 A:HIS-7 4.5 32.7 1.0 O A:GLU-6 4.6 22.1 1.0 CB A:HIS-7 4.7 27.4 1.0 CZ A:ARG146 4.7 28.4 1.0 O A:HOH481 4.7 29.2 1.0 CA A:HIS-7 4.7 26.3 1.0 CD A:GLN-1 4.7 26.4 1.0 N A:GLU-6 4.8 24.4 1.0 CG A:HIS-7 4.9 29.5 1.0 O A:HIS-9 4.9 20.1 1.0 CD2 A:LEU-4 5.0 19.8 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.