Iodine in PDB 6k9r: 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: 6k9r 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)	39.97 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.920, 58.591, 69.345, 90.00, 90.00, 90.00
R / Rfree (%)	14 / 15.8

The binding sites of Iodine atom in the Crystal Structure Analysis of Endo-Beta-1,4-Xylanase II Complexed with Xylotriose (pdb code 6k9r). 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: 6k9r:
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:I204 b:5.5 occ:1.00 H A:SER146 2.8 4.6 1.0 HG A:SER146 3.2 7.3 0.7 O A:HOH375 3.4 10.8 1.0 HB2 A:ARG145 3.4 5.1 1.0 HA A:ARG145 3.5 4.8 1.0 O A:HOH329 3.6 5.2 1.0 N A:SER146 3.6 3.8 1.0 H A:SER147 3.6 5.8 1.0 OG A:SER146 3.8 6.1 0.7 O A:HOH304 4.0 14.1 1.0 CA A:ARG145 4.1 4.0 1.0 CB A:ARG145 4.2 4.3 1.0 HB2 A:SER146 4.2 6.9 0.3 N A:SER147 4.3 4.8 1.0 HB2 A:SER147 4.3 6.5 1.0 C A:ARG145 4.4 3.5 1.0 HB3 A:ARG145 4.4 5.1 1.0 O A:HOH519 4.5 14.7 1.0 CA A:SER146 4.5 4.1 1.0 HG A:SER147 4.5 6.4 1.0 C A:SER146 4.7 4.4 1.0 CB A:SER146 4.7 5.7 1.0 OG A:SER146 5.0 6.0 0.3

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:I205 b:26.9 occ:1.00 H A:MET169 2.8 6.7 0.8 H A:MET169 2.8 6.7 0.2 HG2 A:MET169 3.1 8.9 1.0 HE3 A:LYS56 3.2 11.2 1.0 O A:HOH410 3.3 36.2 1.0 HA A:THR168 3.3 8.0 0.2 HA A:THR168 3.4 7.9 0.8 O A:HOH333 3.6 14.4 1.0 N A:MET169 3.7 5.6 1.0 HG23 A:THR168 3.7 10.9 0.8 HB2 A:MET169 3.9 7.5 1.0 CG A:MET169 3.9 7.4 1.0 O A:HOH344 4.0 15.6 1.0 HG3 A:LYS56 4.0 9.8 1.0 CE A:LYS56 4.1 9.4 1.0 HD2 A:LYS56 4.1 10.1 1.0 HZ2 A:LYS56 4.1 13.0 1.0 CA A:THR168 4.1 6.6 0.2 HG3 A:MET169 4.2 8.9 1.0 HG22 A:THR168 4.2 9.4 0.2 CA A:THR168 4.2 6.6 0.8 CB A:MET169 4.3 6.2 1.0 HB A:THR168 4.4 9.2 0.2 C A:THR168 4.5 6.1 0.2 C A:THR168 4.5 6.0 0.8 NZ A:LYS56 4.5 10.8 1.0 CG2 A:THR168 4.5 9.1 0.8 CD A:LYS56 4.5 8.4 1.0 HZ1 A:LYS56 4.6 13.0 1.0 HG22 A:THR168 4.6 10.9 0.8 O A:GLY167 4.6 8.0 1.0 CA A:MET169 4.6 5.7 1.0 CB A:THR168 4.7 7.7 0.2 CG A:LYS56 4.8 8.2 1.0 HE2 A:LYS56 4.8 11.2 1.0 CG2 A:THR168 4.9 7.8 0.2 CB A:THR168 4.9 8.7 0.8 HA A:THR55 4.9 6.0 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: probe atom residue distance (Å) B Occ A:I206 b:35.2 occ:1.00 HE A:ARG119 3.1 17.2 1.0 HE1 A:TYR135 3.3 9.2 1.0 HA A:THR120 3.4 4.0 1.0 HG2 A:ARG119 3.5 8.8 1.0 HB2 A:GLN121 3.6 8.8 1.0 HD1 A:TYR135 3.8 8.4 1.0 O A:ARG119 3.9 5.3 1.0 NE A:ARG119 3.9 14.3 1.0 C A:THR120 4.0 4.1 1.0 CE1 A:TYR135 4.0 7.7 1.0 CA A:THR120 4.0 3.3 1.0 O A:HOH399 4.1 26.1 1.0 C A:ARG119 4.2 3.9 1.0 N A:GLN121 4.3 5.1 1.0 CG A:ARG119 4.3 7.3 1.0 CD1 A:TYR135 4.3 7.0 1.0 HB3 A:ARG119 4.3 5.6 1.0 HH21 A:ARG119 4.3 22.5 1.0 HD2 A:ARG119 4.3 12.9 1.0 O A:HOH376 4.3 14.2 1.0 O A:THR120 4.3 3.9 1.0 O A:HOH424 4.4 35.2 1.0 N A:THR120 4.4 3.5 1.0 CB A:GLN121 4.4 7.4 1.0 H A:GLN121 4.4 6.1 1.0 CD A:ARG119 4.4 10.8 1.0 HB3 A:GLN121 4.5 8.8 1.0 O A:HOH430 4.7 12.4 1.0 CB A:ARG119 4.8 4.7 1.0 CZ A:ARG119 4.9 17.4 1.0 CA A:GLN121 4.9 6.2 1.0 NH2 A:ARG119 4.9 18.7 1.0 O A:HOH516 5.0 24.8 1.0 H A:THR120 5.0 4.3 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:I207 b:20.5 occ:1.00 HB3 A:PRO126 3.2 11.2 1.0 HA2 A:GLY130 3.2 7.3 1.0 H A:SER127 3.3 7.6 1.0 O A:HOH483 3.4 19.4 1.0 HA A:PRO126 3.5 9.5 1.0 H1 B:XYP3 3.5 10.9 1.0 H3 B:XYP3 3.6 16.0 1.0 O A:SER127 3.6 5.8 1.0 H52 B:XYP2 3.7 7.2 1.0 CB A:PRO126 4.0 9.3 1.0 N A:SER127 4.0 6.3 1.0 CA A:GLY130 4.0 6.1 1.0 H A:GLY130 4.0 6.3 1.0 CA A:PRO126 4.1 8.0 1.0 H52 B:XYP3 4.3 14.4 1.0 C A:GLY130 4.3 5.5 1.0 C1 B:XYP3 4.4 9.1 1.0 N A:GLY130 4.5 5.2 1.0 O2 B:XYP3 4.5 12.9 1.0 C3 B:XYP3 4.5 13.3 1.0 HB2 A:PRO126 4.5 11.2 1.0 N A:THR131 4.6 5.7 1.0 H A:THR131 4.6 6.8 1.0 C5 B:XYP2 4.6 6.0 1.0 C A:PRO126 4.6 7.0 1.0 C A:SER127 4.7 5.3 1.0 HG1 A:THR131 4.7 13.0 1.0 C2 B:XYP3 4.7 11.9 1.0 O A:GLY130 4.8 6.7 1.0 HA3 A:GLY130 4.8 7.3 1.0 HG3 A:PRO126 4.8 12.1 1.0 H51 B:XYP2 4.9 7.2 1.0

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