Iodine in PDB 6jzp: Crystal Structures of Endo-Beta-1,4-Xylanase II Complexed with Xylotriose

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

The structure of Crystal Structures of Endo-Beta-1,4-Xylanase II Complexed with Xylotriose, PDB code: 6jzp was solved by C.Li, Q.Wan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.75 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.236, 59.513, 70.189, 90.00, 90.00, 90.00
R / Rfree (%)	12.8 / 14.1

The binding sites of Iodine atom in the Crystal Structures of Endo-Beta-1,4-Xylanase II Complexed with Xylotriose (pdb code 6jzp). 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 Endo-Beta-1,4-Xylanase II Complexed with Xylotriose, PDB code: 6jzp:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structures of Endo-Beta-1,4-Xylanase II 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 Endo-Beta-1,4-Xylanase II Complexed with Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:I202 b:11.0 occ:1.00 H A:SER146 2.8 12.1 1.0 HG A:SER146 3.2 13.6 0.7 HB2 A:ARG145 3.4 11.4 1.0 HA A:ARG145 3.5 11.6 1.0 O A:HOH381 3.5 14.4 1.0 O A:HOH331 3.6 11.7 1.0 N A:SER146 3.6 10.1 1.0 H A:SER147 3.7 12.1 1.0 OG A:SER146 3.8 11.3 0.7 O A:HOH306 4.1 18.3 1.0 CB A:ARG145 4.1 9.5 1.0 CA A:ARG145 4.1 9.6 1.0 HB2 A:SER146 4.2 14.3 0.3 N A:SER147 4.3 10.1 1.0 HB3 A:ARG145 4.3 11.4 1.0 C A:ARG145 4.4 9.8 1.0 HB2 A:SER147 4.4 13.6 1.0 O A:HOH563 4.5 18.5 1.0 CA A:SER146 4.5 10.2 1.0 HG A:SER147 4.6 13.6 1.0 HG A:SER146 4.6 14.1 0.3 C A:SER146 4.7 10.3 1.0 CB A:SER146 4.8 11.9 1.0

Iodine binding site 2 out of 3 in the Crystal Structures of Endo-Beta-1,4-Xylanase II 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 Endo-Beta-1,4-Xylanase II Complexed with Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:I203 b:20.3 occ:0.40 HE A:ARG119 3.2 28.2 1.0 HB2 A:GLN121 3.3 18.5 1.0 HE1 A:TYR135 3.4 20.6 1.0 HA A:THR120 3.4 14.1 1.0 O A:HOH459 3.4 37.2 1.0 HG2 A:ARG119 3.6 16.0 1.0 HD1 A:TYR135 3.8 18.6 1.0 C A:THR120 3.9 11.7 1.0 O A:ARG119 4.0 12.2 1.0 NE A:ARG119 4.0 23.5 1.0 CA A:THR120 4.1 11.8 1.0 HB3 A:GLN121 4.1 18.5 1.0 CE1 A:TYR135 4.1 17.2 1.0 CB A:GLN121 4.1 15.4 1.0 N A:GLN121 4.1 13.9 1.0 O A:HOH362 4.2 17.4 1.0 H A:GLN121 4.3 16.7 1.0 O A:THR120 4.3 11.7 1.0 C A:ARG119 4.3 11.0 1.0 CD1 A:TYR135 4.3 15.5 1.0 CG A:ARG119 4.4 13.3 1.0 HD2 A:ARG119 4.4 22.0 1.0 N A:THR120 4.4 11.3 1.0 HH21 A:ARG119 4.5 34.1 1.0 HB3 A:ARG119 4.5 13.4 1.0 CD A:ARG119 4.5 18.3 1.0 O A:HOH441 4.6 23.0 1.0 CA A:GLN121 4.7 14.0 1.0 HG1 A:THR103 4.8 21.6 1.0 CB A:ARG119 5.0 11.1 1.0 CZ A:ARG119 5.0 26.9 1.0

Iodine binding site 3 out of 3 in the Crystal Structures of Endo-Beta-1,4-Xylanase II 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 Endo-Beta-1,4-Xylanase II Complexed with Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:I204 b:19.9 occ:0.47 HO3 A:GOL201 2.8 72.5 1.0 O3 A:GOL201 3.1 60.4 1.0 O A:HOH578 3.8 41.1 1.0 O A:HOH398 3.8 21.1 1.0 O A:HOH506 3.9 38.0 1.0 C3 A:GOL201 4.3 38.6 1.0 H32 A:GOL201 4.3 46.3 1.0 O A:THR2 4.6 17.9 1.0 N A:THR2 4.8 20.5 1.0 H2 A:GOL201 4.8 33.8 1.0 H31 A:GOL201 5.0 46.3 1.0

Q.Wan, Z.Qiu. X-Ray Crystallographic Studies of Family 11 Xylanase Michaelis and Product Complexes: Implications For the Catalytic Mechanism To Be Published.