Iodine in PDB 5zkz: Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II(Y77F) Complexed with Xylotriose

All present enzymatic activity of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II(Y77F) Complexed with Xylotriose:
3.2.1.8;

The structure of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II(Y77F) Complexed with Xylotriose, PDB code: 5zkz 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)	45.08 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.195, 59.109, 69.709, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 17.6

The binding sites of Iodine atom in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II(Y77F) Complexed with Xylotriose (pdb code 5zkz). 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 Structures of Mutant Endo-Beta-1,4-Xylanase II(Y77F) Complexed with Xylotriose, PDB code: 5zkz:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II(Y77F) 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(Y77F) Complexed with Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:I205 b:11.5 occ:1.00 H A:SER146 2.8 13.5 1.0 HG A:SER146 3.3 13.9 0.7 O A:HOH392 3.4 15.9 1.0 H A:SER147 3.5 14.0 1.0 HB2 A:ARG145 3.5 12.7 1.0 HA A:ARG145 3.5 12.3 1.0 O A:HOH333 3.6 12.6 1.0 N A:SER146 3.6 11.2 1.0 OG A:SER146 3.9 11.6 0.7 O A:HOH303 4.1 20.5 1.0 CA A:ARG145 4.2 10.2 1.0 N A:SER147 4.2 11.6 1.0 CB A:ARG145 4.2 10.5 1.0 HB2 A:SER146 4.2 16.6 0.3 HB2 A:SER147 4.3 13.4 1.0 HG A:SER146 4.4 18.1 0.3 HB3 A:ARG145 4.4 12.7 1.0 C A:ARG145 4.4 9.3 1.0 CA A:SER146 4.5 12.1 1.0 O A:HOH533 4.5 19.8 1.0 HG A:SER147 4.5 13.8 1.0 C A:SER146 4.7 11.2 1.0 CB A:SER146 4.8 13.8 1.0 CB A:SER147 5.0 11.1 1.0

Iodine binding site 2 out of 3 in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II(Y77F) 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(Y77F) Complexed with Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:I206 b:31.3 occ:1.00 HE A:ARG119 3.3 27.1 1.0 HE1 A:TYR135 3.3 18.0 1.0 HA A:THR120 3.4 14.2 1.0 HG2 A:ARG119 3.6 16.2 1.0 HB2 A:GLN121 3.6 16.1 1.0 NE A:ARG119 3.7 22.6 1.0 HH21 A:ARG119 3.7 42.9 1.0 O A:ARG119 3.8 14.9 1.0 HD1 A:TYR135 3.9 15.6 1.0 C A:THR120 4.1 11.7 1.0 CE1 A:TYR135 4.1 15.0 1.0 CA A:THR120 4.1 11.8 1.0 O A:HOH518 4.2 32.4 1.0 NH2 A:ARG119 4.2 35.7 1.0 O A:HOH530 4.2 42.1 1.0 C A:ARG119 4.2 12.1 1.0 HB3 A:ARG119 4.3 16.0 1.0 O A:HOH423 4.3 21.8 1.0 O A:HOH395 4.3 31.1 1.0 CZ A:ARG119 4.3 29.9 1.0 CD1 A:TYR135 4.3 13.0 1.0 N A:GLN121 4.3 12.5 1.0 CG A:ARG119 4.4 13.5 1.0 N A:THR120 4.4 10.6 1.0 O A:THR120 4.4 11.1 1.0 CB A:GLN121 4.5 13.4 1.0 H A:GLN121 4.5 15.0 1.0 HB3 A:GLN121 4.5 16.1 1.0 CD A:ARG119 4.5 17.9 1.0 O A:HOH441 4.8 19.0 1.0 CB A:ARG119 4.8 13.3 1.0 HH22 A:ARG119 4.8 42.9 1.0 HD2 A:ARG119 4.9 21.5 1.0 CA A:GLN121 5.0 12.3 1.0

Iodine binding site 3 out of 3 in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II(Y77F) 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(Y77F) Complexed with Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:I207 b:29.1 occ:1.00 H A:MET169 2.8 17.5 0.6 H A:MET169 2.8 17.5 0.4 HE3 A:LYS56 3.0 17.3 1.0 HG2 A:MET169 3.1 16.8 1.0 O A:HOH467 3.3 30.1 1.0 HA A:THR168 3.3 17.4 0.4 HA A:THR168 3.3 17.4 0.6 HG23 A:THR168 3.5 20.6 0.6 O A:HOH368 3.6 24.7 1.0 HB2 A:MET169 3.8 17.0 1.0 CE A:LYS56 3.9 14.4 1.0 N A:MET169 3.9 14.5 1.0 CG A:MET169 3.9 14.0 1.0 HG3 A:LYS56 3.9 19.2 1.0 HZ2 A:LYS56 4.0 22.8 1.0 HD2 A:LYS56 4.1 17.5 1.0 HG3 A:MET169 4.2 16.8 1.0 CA A:THR168 4.2 14.5 0.4 CA A:THR168 4.2 14.4 0.6 CB A:MET169 4.3 14.1 1.0 NZ A:LYS56 4.3 19.0 1.0 HB A:THR168 4.4 18.6 0.4 CG2 A:THR168 4.4 17.2 0.6 HZ1 A:LYS56 4.4 22.8 1.0 CD A:LYS56 4.4 14.5 1.0 HG22 A:THR168 4.5 19.1 0.4 O A:HOH391 4.5 24.4 1.0 HG22 A:THR168 4.5 20.6 0.6 O A:GLY167 4.5 14.5 1.0 HE2 A:LYS56 4.5 17.3 1.0 C A:THR168 4.6 12.4 0.4 C A:THR168 4.6 12.4 0.6 CG A:LYS56 4.7 15.9 1.0 CA A:MET169 4.8 11.5 1.0 CB A:THR168 4.8 15.5 0.4 CB A:THR168 4.8 15.5 0.6 HA A:THR55 4.9 16.2 1.0

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