Iodine in PDB 6kwe: Crystal Structure Analysis of Endo-Beta-1,4-Xylanase II Complexed with Xylotriose

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

The structure of Crystal Structure Analysis of Endo-Beta-1,4-Xylanase II Complexed with Xylotriose, PDB code: 6kwe 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)	19.84 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.251, 59.113, 69.763, 90, 90, 90
R / Rfree (%)	14.9 / 16.7

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

Iodine binding site 1 out of 4 in the Crystal Structure Analysis 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 Structure Analysis of Endo-Beta-1,4-Xylanase II Complexed with Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:I202 b:13.3 occ:1.00 H A:SER146 2.8 13.3 1.0 HG A:SER146 3.3 13.5 0.7 HB2 A:ARG145 3.4 15.5 1.0 HA A:ARG145 3.4 16.7 1.0 O A:HOH360 3.5 15.7 1.0 O A:HOH336 3.5 11.4 1.0 N A:SER146 3.6 11.0 1.0 H A:SER147 3.6 14.8 1.0 OG A:SER146 3.8 11.2 0.7 O A:HOH305 4.0 19.5 1.0 CB A:ARG145 4.1 12.9 1.0 CA A:ARG145 4.1 13.9 1.0 HB2 A:SER147 4.2 15.8 1.0 HB2 A:SER146 4.2 15.7 0.3 N A:SER147 4.3 12.3 1.0 HB3 A:ARG145 4.4 15.5 1.0 C A:ARG145 4.4 13.4 1.0 HG A:SER146 4.4 16.1 0.3 O A:HOH565 4.5 23.1 1.0 CA A:SER146 4.5 14.3 1.0 HG A:SER147 4.6 16.6 1.0 C A:SER146 4.7 11.9 1.0 CB A:SER146 4.8 13.1 1.0 CB A:SER147 5.0 13.1 1.0

Iodine binding site 2 out of 4 in the Crystal Structure Analysis 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 Structure Analysis of Endo-Beta-1,4-Xylanase II Complexed with Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:I203 b:30.0 occ:1.00 O A:HOH486 3.3 43.2 1.0 HE A:ARG119 3.3 35.5 1.0 HA A:THR120 3.4 16.4 1.0 HE1 A:TYR135 3.4 22.1 1.0 HB2 A:GLN121 3.4 21.5 1.0 HG2 A:ARG119 3.4 17.3 1.0 HD1 A:TYR135 3.8 20.4 1.0 C A:THR120 3.9 13.6 1.0 O A:ARG119 4.0 13.7 1.0 CA A:THR120 4.0 13.6 1.0 HB3 A:GLN121 4.1 21.5 1.0 NE A:ARG119 4.1 29.5 1.0 N A:GLN121 4.1 17.3 1.0 CE1 A:TYR135 4.1 18.4 1.0 CB A:GLN121 4.1 17.9 1.0 O A:HOH355 4.1 21.0 1.0 H A:GLN121 4.2 20.8 1.0 CG A:ARG119 4.3 14.4 1.0 O A:THR120 4.3 13.7 1.0 C A:ARG119 4.3 14.9 1.0 CD1 A:TYR135 4.3 17.0 1.0 N A:THR120 4.4 14.3 1.0 HD2 A:ARG119 4.4 25.2 1.0 CD A:ARG119 4.5 21.0 1.0 HH21 A:ARG119 4.6 35.1 1.0 HB3 A:ARG119 4.6 18.1 1.0 O A:HOH459 4.6 23.4 1.0 CA A:GLN121 4.7 16.4 1.0 HG1 A:THR103 4.9 30.9 1.0 CB A:ARG119 4.9 15.1 1.0 HG3 A:ARG119 5.0 17.3 1.0 H A:THR120 5.0 17.1 1.0

Iodine binding site 3 out of 4 in the Crystal Structure Analysis 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 Structure Analysis of Endo-Beta-1,4-Xylanase II Complexed with Xylotriose within 5.0Å range:

Iodine binding site 4 out of 4 in the Crystal Structure Analysis 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 4 of Crystal Structure Analysis of Endo-Beta-1,4-Xylanase II Complexed with Xylotriose within 5.0Å range: probe atom residue distance (Å) B Occ A:I205 b:35.0 occ:1.00 H A:MET169 2.8 16.5 0.5 H A:MET169 2.8 16.5 0.0 H A:MET169 2.8 16.5 0.5 HG2 A:MET169 3.1 17.2 1.0 HA A:THR168 3.1 17.0 0.5 HA A:THR168 3.1 17.1 0.5 HA A:THR168 3.2 17.4 0.0 HG23 A:THR168 3.2 24.2 0.5 HG23 A:THR168 3.5 21.6 0.0 HE3 A:LYS56 3.5 24.1 1.0 O A:HOH398 3.6 29.0 1.0 N A:MET169 3.6 13.7 1.0 HZ2 A:LYS56 3.9 24.3 1.0 HB2 A:MET169 3.9 16.9 1.0 CG A:MET169 3.9 14.3 1.0 O A:HOH473 4.0 43.5 1.0 CA A:THR168 4.0 14.2 0.5 HG3 A:LYS56 4.0 19.1 1.0 HD2 A:LYS56 4.0 20.1 1.0 CA A:THR168 4.0 14.2 0.5 CA A:THR168 4.0 14.5 0.0 CG2 A:THR168 4.0 20.1 0.5 HG22 A:THR168 4.1 24.2 0.5 O A:HOH334 4.2 23.1 1.0 HG22 A:THR168 4.2 23.0 0.5 HB A:THR168 4.2 19.2 0.5 CE A:LYS56 4.2 20.1 1.0 HG3 A:MET169 4.3 17.2 1.0 CG2 A:THR168 4.3 18.0 0.0 C A:THR168 4.3 13.8 0.5 CB A:MET169 4.3 14.1 1.0 C A:THR168 4.3 13.7 0.5 C A:THR168 4.4 13.9 0.0 HG22 A:THR168 4.4 21.6 0.0 NZ A:LYS56 4.4 20.2 1.0 O A:GLY167 4.5 17.1 1.0 CD A:LYS56 4.5 16.7 1.0 CB A:THR168 4.5 16.0 0.5 CB A:THR168 4.6 16.6 0.5 CA A:MET169 4.6 12.6 1.0 HZ1 A:LYS56 4.6 24.3 1.0 CB A:THR168 4.7 16.6 0.0 CG A:LYS56 4.7 15.9 1.0 HG21 A:THR168 4.8 24.2 0.5 CG2 A:THR168 4.9 19.2 0.5 HA A:THR55 4.9 15.8 1.0

Q.Wan, C.Li, Q.Wan. N/A N/A.