Iodine in PDB 1njk: Crystal Structure of Ybaw Probable Thioesterase From Escherichia Coli

The structure of Crystal Structure of Ybaw Probable Thioesterase From Escherichia Coli, PDB code: 1njk was solved by Y.Kim, A.Joachimiak, A.Edwards, X.Xu, A.Savchenko, Midwestcenter For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.35 / 1.90
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	90.134, 90.134, 83.373, 90.00, 90.00, 120.00
R / Rfree (%)	21.4 / 24

The binding sites of Iodine atom in the Crystal Structure of Ybaw Probable Thioesterase From Escherichia Coli (pdb code 1njk). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the Crystal Structure of Ybaw Probable Thioesterase From Escherichia Coli, PDB code: 1njk:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Crystal Structure of Ybaw Probable Thioesterase From Escherichia Coli


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 Ybaw Probable Thioesterase From Escherichia Coli within 5.0Å range:

Iodine binding site 2 out of 4 in the Crystal Structure of Ybaw Probable Thioesterase From Escherichia Coli


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 Ybaw Probable Thioesterase From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ C:I401 b:25.1 occ:0.95 O C:HOH403 3.7 16.3 1.0 NH1 C:ARG62 3.8 23.6 1.0 O C:HOH475 3.8 37.9 1.0 O C:HOH479 3.9 38.6 1.0 CB C:ARG62 4.1 19.3 1.0 CD C:ARG62 4.2 22.7 1.0 CG C:ARG62 4.2 20.1 1.0 CG C:GLN97 4.3 24.1 1.0 CB C:GLN97 4.4 21.9 1.0 CZ C:ARG62 4.8 26.4 1.0 NE C:ARG62 5.0 22.4 1.0

Iodine binding site 3 out of 4 in the Crystal Structure of Ybaw Probable Thioesterase From Escherichia Coli


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 Ybaw Probable Thioesterase From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ C:I402 b:61.4 occ:0.80 OG C:SER67 3.2 30.4 1.0 O B:HOH482 3.3 49.3 1.0 NH1 C:ARG8 3.3 25.0 1.0 CE3 B:TRP32 3.8 23.4 1.0 O C:VAL7 4.0 17.6 1.0 CA C:SER67 4.0 22.6 1.0 CD C:ARG8 4.1 21.8 1.0 CB C:SER67 4.1 25.7 1.0 CE C:LYS6 4.2 26.7 1.0 N C:SER67 4.3 19.4 1.0 CZ3 B:TRP32 4.3 24.9 1.0 CD1 C:LEU66 4.4 20.9 1.0 CZ C:ARG8 4.4 25.4 1.0 CD2 B:TRP32 4.6 21.8 1.0 CG C:LEU66 4.6 22.1 1.0 OE2 B:GLU36 4.7 88.3 1.0 CB B:TRP32 4.7 19.3 1.0 CB B:GLU36 4.7 83.2 1.0 NE C:ARG8 4.8 22.8 1.0 CG C:LYS6 4.8 23.1 1.0 CG B:TRP32 5.0 19.0 1.0

Iodine binding site 4 out of 4 in the Crystal Structure of Ybaw Probable Thioesterase From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Ybaw Probable Thioesterase From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ D:I403 b:59.9 occ:0.83 OG D:SER67 3.2 30.5 1.0 NH1 D:ARG8 3.3 23.8 1.0 CE3 A:TRP32 3.8 24.1 1.0 CA D:SER67 4.0 21.8 1.0 O D:VAL7 4.1 18.1 1.0 CB D:SER67 4.1 25.8 1.0 CE D:LYS6 4.2 26.2 1.0 CD D:ARG8 4.2 22.1 1.0 N D:SER67 4.3 19.7 1.0 CZ3 A:TRP32 4.4 24.7 1.0 CZ D:ARG8 4.5 24.7 1.0 CD1 D:LEU66 4.5 21.5 1.0 OE1 A:GLU36 4.6 78.4 1.0 CG D:LEU66 4.6 21.5 1.0 CB A:GLU36 4.7 77.6 1.0 CD2 A:TRP32 4.7 21.9 1.0 NE D:ARG8 4.8 24.1 1.0 CB A:TRP32 4.8 20.1 1.0 CG D:LYS6 4.8 22.7 1.0

Y.Kim, A.Joachimiak, A.Edwards, X.Xu, A.Savchenko. Crystal Structure of Escherichia Coli Hypothetical Protein Ybaw To Be Published.