Iodine in PDB 5zii: Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)Complexed with Xylotriose

All present enzymatic activity of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)Complexed with Xylotriose:
3.2.1.8;

The structure of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)Complexed with Xylotriose, PDB code: 5zii was solved by X.Zhang, Q.Wan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.91 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.822, 58.543, 69.590, 90.00, 90.00, 90.00
R / Rfree (%)	13.9 / 15.5

The binding sites of Iodine atom in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)Complexed with Xylotriose (pdb code 5zii). 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 Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)Complexed with Xylotriose, PDB code: 5zii:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)Complexed with Xylotriose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)Complexed with Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:I204 b:13.3 occ:1.00 H A:ASN82 2.9 14.4 1.0 HB2 A:LEU84 3.3 14.8 1.0 HB3 A:ARG81 3.3 15.5 1.0 HG21 A:ILE129 3.4 20.6 1.0 HG12 A:ILE129 3.5 19.6 1.0 HA A:ARG81 3.5 13.8 1.0 N A:ASN82 3.6 12.0 1.0 HD13 A:LEU84 3.7 16.0 1.0 HG2 A:ARG81 3.8 16.3 1.0 CB A:ARG81 4.0 12.9 1.0 CA A:ARG81 4.1 11.5 1.0 HB2 A:ASN82 4.1 17.0 1.0 CB A:LEU84 4.2 12.3 1.0 HA A:ASN82 4.2 14.9 1.0 H A:LEU84 4.2 13.1 1.0 CG2 A:ILE129 4.3 17.2 1.0 C A:ARG81 4.3 11.9 1.0 CG A:ARG81 4.4 13.6 1.0 HA A:LEU84 4.4 12.8 1.0 CG1 A:ILE129 4.4 16.4 1.0 CA A:ASN82 4.4 12.4 1.0 HG23 A:ILE129 4.5 20.6 1.0 N A:LEU84 4.5 10.9 1.0 HD3 A:ARG81 4.6 18.0 1.0 CD1 A:LEU84 4.6 13.3 1.0 CA A:LEU84 4.6 10.7 1.0 HD22 A:LEU84 4.6 17.2 1.0 HB3 A:LEU84 4.7 14.8 1.0 CB A:ASN82 4.8 14.2 1.0 HH11 A:ARG81 4.8 23.9 1.0 HG13 A:ILE129 4.8 19.6 1.0 HB2 A:ARG81 4.8 15.5 1.0 HD12 A:LEU84 4.9 16.0 1.0 CB A:ILE129 4.9 16.9 1.0 CG A:LEU84 4.9 13.6 1.0 HG22 A:ILE129 4.9 20.6 1.0 HB A:ILE129 5.0 20.3 1.0

Iodine binding site 2 out of 4 in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)Complexed with Xylotriose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)Complexed with Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:I205 b:23.9 occ:0.55 O A:HOH316 3.4 35.8 1.0 N A:THR2 4.1 36.0 0.8 O A:THR2 4.7 29.4 0.8 HB A:THR2 4.9 41.7 0.8

Iodine binding site 3 out of 4 in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)Complexed with Xylotriose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)Complexed with Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:I206 b:25.3 occ:0.49 HE A:ARG119 3.0 30.3 1.0 HE1 A:TYR135 3.3 19.0 1.0 HA A:THR120 3.4 14.2 1.0 HG2 A:ARG119 3.5 18.0 1.0 HB2 A:GLN121 3.6 18.5 1.0 O A:HOH403 3.8 37.2 1.0 HD1 A:TYR135 3.8 16.6 1.0 O A:ARG119 3.8 12.8 1.0 NE A:ARG119 3.9 25.3 1.0 C A:THR120 4.0 11.9 1.0 CE1 A:TYR135 4.0 15.8 1.0 CA A:THR120 4.0 11.8 1.0 O A:HOH351 4.2 21.8 1.0 C A:ARG119 4.2 11.3 1.0 N A:GLN121 4.3 13.2 1.0 CD1 A:TYR135 4.3 13.8 1.0 CG A:ARG119 4.3 15.0 1.0 HD2 A:ARG119 4.3 24.1 1.0 O A:THR120 4.3 12.0 1.0 HB3 A:ARG119 4.4 14.9 1.0 CB A:GLN121 4.4 15.4 1.0 N A:THR120 4.4 11.2 1.0 HB3 A:GLN121 4.4 18.5 1.0 H A:GLN121 4.4 15.8 1.0 O A:HOH338 4.4 43.3 1.0 CD A:ARG119 4.5 20.0 1.0 HH21 A:ARG119 4.5 39.3 1.0 O A:HOH427 4.7 19.7 1.0 CB A:ARG119 4.8 12.4 1.0 CA A:GLN121 4.9 14.5 1.0 CZ A:ARG119 5.0 30.7 1.0 H A:THR120 5.0 13.5 1.0

Iodine binding site 4 out of 4 in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)Complexed with Xylotriose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)Complexed with Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:I207 b:21.8 occ:0.49 HB3 A:PRO126 3.1 22.7 1.0 H A:SER127 3.4 19.1 1.0 HA2 A:GLY130 3.4 21.6 1.0 HA A:PRO126 3.4 20.8 1.0 H3B A:XYP201 3.5 28.3 1.0 H5B1 A:XYP202 3.5 19.1 1.0 H1B A:XYP201 3.6 27.1 1.0 O A:SER127 3.8 16.2 1.0 O A:HOH481 3.8 33.8 1.0 CB A:PRO126 3.9 18.9 1.0 CA A:PRO126 4.1 17.3 1.0 N A:SER127 4.1 15.9 1.0 H5B1 A:XYP201 4.1 44.1 1.0 CA A:GLY130 4.2 18.0 1.0 H A:GLY130 4.3 20.9 1.0 C A:GLY130 4.4 18.5 1.0 C3B A:XYP201 4.5 23.6 1.0 C5B A:XYP202 4.5 15.9 1.0 HB2 A:PRO126 4.5 22.7 1.0 O2B A:XYP201 4.5 25.2 1.0 HG3 A:PRO126 4.6 24.8 1.0 H5B2 A:XYP202 4.6 19.1 1.0 C1B A:XYP201 4.6 22.6 1.0 H A:THR131 4.6 22.3 1.0 C A:PRO126 4.6 16.4 1.0 N A:THR131 4.7 18.6 1.0 N A:GLY130 4.7 17.4 1.0 O A:HOH483 4.8 34.6 1.0 C2B A:XYP201 4.8 23.4 1.0 C A:SER127 4.8 15.3 1.0 CG A:PRO126 4.9 20.6 1.0 O A:GLY130 4.9 18.6 1.0 HA3 A:GLY130 5.0 21.6 1.0 HO3B A:XYP201 5.0 37.0 1.0

Q.Wan, X.Zhang. Crystal Structures of Endo-Beta-1,4-Xylanase II To Be Published.