Iodine in PDB 6kwh: 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: 6kwh 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)	19.87 / 1.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.402, 58.633, 69.591, 90, 90, 90
R / Rfree (%)	16.8 / 21.8

The binding sites of Iodine atom in the Crystal Structure Analysis of Endo-Beta-1,4-Xylanase II Complexed with Xylotriose (pdb code 6kwh). 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: 6kwh:
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:I201 b:20.2 occ:1.00 H A:SER146 2.8 24.6 1.0 HG A:SER146 3.1 18.0 0.4 HB2 A:ARG145 3.5 22.1 1.0 HA A:ARG145 3.5 23.8 1.0 O A:HOH352 3.6 23.4 1.0 OG A:SER146 3.6 15.0 0.4 N A:SER146 3.6 20.5 1.0 O A:HOH335 3.7 19.0 1.0 H A:SER147 3.8 22.4 1.0 HB2 A:SER146 4.1 20.9 0.6 CB A:ARG145 4.1 18.4 1.0 CA A:ARG145 4.1 19.8 1.0 O A:HOH311 4.1 36.0 1.0 HB3 A:ARG145 4.3 22.1 1.0 HB2 A:SER147 4.3 26.4 1.0 N A:SER147 4.3 18.7 1.0 C A:ARG145 4.4 14.8 1.0 CA A:SER146 4.5 15.4 1.0 CB A:SER146 4.6 17.4 1.0 C A:SER146 4.7 20.5 1.0 HG A:SER147 4.8 23.9 1.0 O A:HOH511 4.8 31.4 1.0 OG A:SER146 4.8 19.5 0.6

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:I202 b:66.0 occ:1.00 H A:MET169 2.8 31.2 0.4 H A:MET169 2.8 31.2 0.6 HG2 A:MET169 3.1 23.3 1.0 HE3 A:LYS56 3.2 41.1 1.0 HA A:THR168 3.2 24.9 0.4 HA A:THR168 3.3 24.7 0.6 HG23 A:THR168 3.6 33.4 0.6 N A:MET169 3.7 26.0 1.0 O A:HOH394 3.8 47.8 1.0 HB2 A:MET169 3.9 27.9 1.0 CG A:MET169 3.9 19.4 1.0 HG3 A:LYS56 4.0 35.4 1.0 HG22 A:THR168 4.0 31.3 0.4 O A:HOH381 4.0 31.7 1.0 CA A:THR168 4.1 20.7 0.4 CE A:LYS56 4.1 34.3 1.0 HZ3 A:LYS56 4.1 34.6 1.0 CA A:THR168 4.2 20.6 0.6 O A:HOH319 4.2 43.8 1.0 HG3 A:MET169 4.2 23.3 1.0 HB A:THR168 4.2 26.4 0.4 HG22 A:THR168 4.3 33.4 0.6 HD2 A:LYS56 4.3 34.1 1.0 CB A:MET169 4.4 23.2 1.0 CG2 A:THR168 4.4 27.8 0.6 C A:THR168 4.4 21.1 0.4 C A:THR168 4.4 20.8 0.6 O A:GLY167 4.4 24.9 1.0 NZ A:LYS56 4.5 28.8 1.0 HZ2 A:LYS56 4.5 34.6 1.0 CB A:THR168 4.6 22.0 0.4 CD A:LYS56 4.6 28.4 1.0 CA A:MET169 4.6 17.1 1.0 CG2 A:THR168 4.8 26.1 0.4 HE2 A:LYS56 4.8 41.1 1.0 CG A:LYS56 4.8 29.5 1.0 CB A:THR168 4.9 22.1 0.6

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: probe atom residue distance (Å) B Occ A:I203 b:74.3 occ:1.00 HE A:ARG119 3.1 38.8 1.0 HA A:THR120 3.3 27.8 1.0 HE1 A:TYR135 3.4 31.6 1.0 HG2 A:ARG119 3.5 24.7 1.0 HB2 A:GLN121 3.5 33.6 1.0 O A:ARG119 3.8 22.9 1.0 NE A:ARG119 3.9 32.3 1.0 O A:HOH341 3.9 46.8 1.0 HD1 A:TYR135 3.9 24.8 1.0 CA A:THR120 4.0 23.2 1.0 C A:THR120 4.0 20.6 1.0 CE1 A:TYR135 4.1 26.4 1.0 O A:HOH355 4.1 35.7 1.0 HH21 A:ARG119 4.2 49.7 1.0 C A:ARG119 4.2 16.8 1.0 O A:HOH470 4.2 49.0 1.0 N A:GLN121 4.3 21.9 1.0 CG A:ARG119 4.3 20.6 1.0 CB A:GLN121 4.4 28.0 1.0 N A:THR120 4.4 20.9 1.0 CD1 A:TYR135 4.4 20.7 1.0 HD2 A:ARG119 4.4 31.9 1.0 H A:GLN121 4.4 26.3 1.0 HB3 A:GLN121 4.4 33.6 1.0 HB3 A:ARG119 4.5 31.6 1.0 CD A:ARG119 4.5 26.6 1.0 O A:THR120 4.5 21.8 1.0 O A:HOH415 4.6 34.0 1.0 O A:HOH308 4.7 40.7 1.0 CZ A:ARG119 4.8 47.7 1.0 CB A:ARG119 4.9 26.3 1.0 NH2 A:ARG119 4.9 41.4 1.0 CA A:GLN121 4.9 19.4 1.0

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:I204 b:40.9 occ:1.00 HB3 A:PRO126 3.1 35.3 1.0 HA2 A:GLY130 3.2 18.7 1.0 H A:SER127 3.3 24.2 1.0 O A:HOH488 3.4 37.7 1.0 H1 B:XYP3 3.5 24.0 1.0 HA A:PRO126 3.5 20.6 1.0 H3 B:XYP3 3.5 37.3 1.0 H52 B:XYP2 3.6 20.1 1.0 O A:SER127 3.7 22.4 1.0 H52 B:XYP3 3.9 29.4 1.0 CB A:PRO126 4.0 29.4 1.0 CA A:GLY130 4.0 15.6 1.0 H A:GLY130 4.1 28.6 1.0 N A:SER127 4.1 20.2 1.0 CA A:PRO126 4.2 17.2 1.0 C A:GLY130 4.3 20.5 1.0 C1 B:XYP3 4.4 20.0 1.0 C3 B:XYP3 4.5 31.1 1.0 H A:THR131 4.5 20.5 1.0 N A:GLY130 4.5 23.9 1.0 HB2 A:PRO126 4.5 35.3 1.0 N A:THR131 4.5 17.1 1.0 O2 B:XYP3 4.5 26.5 1.0 C5 B:XYP2 4.5 16.8 1.0 C A:PRO126 4.7 23.8 1.0 HG3 A:PRO126 4.7 37.5 1.0 C A:SER127 4.7 17.4 1.0 HA3 A:GLY130 4.7 18.7 1.0 HE1 A:TRP18 4.8 27.8 1.0 O A:GLY130 4.8 22.4 1.0 HG1 A:THR131 4.8 27.2 1.0 H51 B:XYP2 4.8 20.1 1.0 C5 B:XYP3 4.9 24.5 1.0 C2 B:XYP3 4.9 22.6 1.0 HO3 B:XYP3 5.0 47.9 1.0 CG A:PRO126 5.0 31.2 1.0

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