Iodine in PDB 6jug: 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: 6jug 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)	37.45 / 1.19
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.379, 59.140, 69.851, 90.00, 90.00, 90.00
R / Rfree (%)	13.4 / 14.4

The binding sites of Iodine atom in the Crystal Structures of Endo-Beta-1,4-Xylanase II Complexed with Xylotriose (pdb code 6jug). 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: 6jug:
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:I201 b:9.5 occ:1.00 H A:SER146 2.7 10.0 1.0 HG A:SER146 3.3 12.5 0.7 HB2 A:ARG145 3.4 8.8 1.0 O A:HOH417 3.4 12.5 1.0 HA A:ARG145 3.5 9.1 1.0 O A:HOH338 3.5 9.7 1.0 N A:SER146 3.6 8.3 1.0 H A:SER147 3.6 10.6 1.0 OG A:SER146 3.9 10.4 0.7 O A:HOH309 4.1 17.9 1.0 CA A:ARG145 4.1 7.6 1.0 CB A:ARG145 4.1 7.3 1.0 HB2 A:SER146 4.2 12.3 0.3 N A:SER147 4.3 8.8 1.0 HB2 A:SER147 4.3 11.4 1.0 C A:ARG145 4.4 7.9 1.0 HB3 A:ARG145 4.4 8.8 1.0 CA A:SER146 4.5 9.3 1.0 O A:HOH544 4.5 19.4 1.0 HG A:SER147 4.6 11.5 1.0 HG A:SER146 4.6 12.4 0.3 C A:SER146 4.7 9.2 1.0 CB A:SER146 4.8 10.3 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:I202 b:26.9 occ:1.00 HE A:ARG119 3.2 25.7 1.0 HA A:THR120 3.4 9.7 1.0 HE1 A:TYR135 3.4 16.5 1.0 HB2 A:GLN121 3.4 13.8 1.0 HG2 A:ARG119 3.4 14.9 1.0 HD1 A:TYR135 3.9 13.8 1.0 O A:ARG119 3.9 9.7 1.0 NE A:ARG119 3.9 21.4 1.0 C A:THR120 3.9 8.2 1.0 CA A:THR120 4.0 8.1 1.0 CE1 A:TYR135 4.1 13.8 1.0 N A:GLN121 4.1 9.9 1.0 O A:HOH345 4.1 14.8 1.0 C A:ARG119 4.2 8.2 1.0 CB A:GLN121 4.2 11.5 1.0 H A:GLN121 4.2 11.9 1.0 CG A:ARG119 4.2 12.4 1.0 HB3 A:GLN121 4.3 13.8 1.0 HD2 A:ARG119 4.3 20.7 1.0 O A:THR120 4.3 8.5 1.0 HB3 A:ARG119 4.3 12.0 1.0 N A:THR120 4.3 7.7 1.0 CD1 A:TYR135 4.4 11.5 1.0 CD A:ARG119 4.4 17.2 1.0 HH21 A:ARG119 4.5 31.4 1.0 O A:HOH440 4.6 17.9 1.0 CA A:GLN121 4.7 10.4 1.0 CB A:ARG119 4.8 10.0 1.0 O A:HOH307 4.8 47.6 1.0 CZ A:ARG119 4.9 25.1 1.0 H A:THR120 5.0 9.2 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:I203 b:22.2 occ:0.45 O A:HOH384 3.6 21.9 1.0 O A:HOH519 4.0 36.4 1.0 O A:HOH512 4.1 41.1 1.0 O A:THR2 4.5 18.5 0.9 N A:THR2 4.9 17.6 0.9 O A:HOH305 4.9 50.1 1.0

C.Li, Q.Wan. Crystal Structures of Endo-Beta-1,4-Xylanase II Complexed with Xylotriose To Be Published.