Iodine in PDB 6jwb: 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: 6jwb 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)	19.92 / 1.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.539, 59.620, 69.714, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 16

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

Iodine binding site 1 out of 4 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:I205 b:10.3 occ:1.00 H A:ASN82 2.9 11.9 1.0 HB2 A:LEU84 3.3 12.1 1.0 HB3 A:ARG81 3.3 12.9 1.0 HG21 A:ILE129 3.4 15.0 1.0 HG12 A:ILE129 3.5 14.0 1.0 HA A:ARG81 3.5 11.7 1.0 N A:ASN82 3.6 9.9 1.0 HD13 A:LEU84 3.8 14.2 1.0 HG2 A:ARG81 3.8 13.2 1.0 CB A:ARG81 4.0 10.7 1.0 CA A:ARG81 4.1 9.8 1.0 HB2 A:ASN82 4.2 13.6 1.0 HA A:ASN82 4.2 12.9 1.0 CB A:LEU84 4.2 10.1 1.0 CG2 A:ILE129 4.3 12.5 1.0 C A:ARG81 4.3 10.0 1.0 H A:LEU84 4.4 11.8 1.0 CG A:ARG81 4.4 11.0 1.0 CA A:ASN82 4.4 10.7 1.0 HA A:LEU84 4.4 12.1 1.0 CG1 A:ILE129 4.4 11.7 1.0 HG23 A:ILE129 4.5 15.0 1.0 N A:LEU84 4.6 9.8 1.0 HD22 A:LEU84 4.6 12.4 1.0 CD1 A:LEU84 4.6 11.9 1.0 CA A:LEU84 4.6 10.1 1.0 HH11 A:ARG81 4.7 16.9 1.0 HD3 A:ARG81 4.8 14.4 1.0 HG13 A:ILE129 4.8 14.0 1.0 CB A:ASN82 4.8 11.3 1.0 HB3 A:LEU84 4.8 12.1 1.0 HB2 A:ARG81 4.8 12.9 1.0 CB A:ILE129 4.9 11.7 1.0 HD12 A:LEU84 4.9 14.2 1.0 HG22 A:ILE129 4.9 15.0 1.0 CG A:LEU84 4.9 10.2 1.0 HB A:ILE129 5.0 14.0 1.0

Iodine binding site 2 out of 4 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:I206 b:16.9 occ:0.48 HE A:ARG119 2.9 21.4 0.6 HE1 A:TYR135 3.4 17.6 1.0 HA A:THR120 3.4 12.7 1.0 HG2 A:ARG119 3.5 16.4 0.6 HB2 A:GLN121 3.5 14.8 1.0 HE A:ARG119 3.5 22.0 0.4 HH22 A:ARG119 3.6 23.8 0.4 HG2 A:ARG119 3.6 18.0 0.4 NE A:ARG119 3.7 18.3 0.4 O A:HOH569 3.7 70.5 1.0 HD1 A:TYR135 3.7 15.5 1.0 NE A:ARG119 3.8 17.8 0.6 O A:ARG119 3.9 11.4 0.4 O A:ARG119 3.9 11.4 0.6 O A:HOH359 4.0 44.0 1.0 C A:THR120 4.0 10.6 1.0 NH2 A:ARG119 4.0 19.9 0.4 CA A:THR120 4.1 10.6 1.0 CE1 A:TYR135 4.1 14.7 1.0 CZ A:ARG119 4.2 19.5 0.4 C A:ARG119 4.2 11.1 0.4 N A:GLN121 4.2 11.2 1.0 C A:ARG119 4.2 10.6 0.6 HD2 A:ARG119 4.2 18.9 0.6 CD1 A:TYR135 4.2 12.9 1.0 CG A:ARG119 4.3 13.6 0.6 CB A:GLN121 4.3 12.3 1.0 O A:THR120 4.3 11.2 1.0 H A:GLN121 4.3 13.5 1.0 O A:HOH434 4.3 35.3 1.0 CG A:ARG119 4.3 15.0 0.4 HB3 A:GLN121 4.3 14.8 1.0 O A:HOH360 4.3 16.3 1.0 N A:THR120 4.3 10.7 1.0 HB3 A:ARG119 4.3 16.1 0.4 CD A:ARG119 4.4 15.8 0.6 HH21 A:ARG119 4.4 23.2 0.6 HB3 A:ARG119 4.4 15.0 0.6 O A:HOH452 4.5 18.4 1.0 CD A:ARG119 4.5 16.8 0.4 HH21 A:ARG119 4.7 23.8 0.4 CB A:ARG119 4.8 13.4 0.4 CB A:ARG119 4.8 12.5 0.6 CA A:GLN121 4.8 11.5 1.0 CZ A:ARG119 4.9 18.6 0.6 HD2 A:ARG119 4.9 20.1 0.4 H A:THR120 4.9 12.8 1.0 NH2 A:ARG119 4.9 19.4 0.6 O A:HOH319 5.0 21.0 1.0

Iodine binding site 3 out of 4 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:I207 b:20.4 occ:0.39 H A:MET169 2.7 14.4 0.5 H A:MET169 2.7 14.4 0.5 HA A:THR168 3.1 15.0 0.5 HA A:THR168 3.1 15.0 0.5 HG23 A:THR168 3.1 17.2 0.5 HG2 A:MET169 3.2 16.4 1.0 O A:HOH401 3.4 21.5 1.0 HE3 A:LYS56 3.5 18.9 1.0 N A:MET169 3.5 12.0 1.0 O A:HOH453 3.7 20.2 1.0 HB2 A:MET169 3.8 15.2 1.0 HB A:THR168 4.0 17.2 0.5 CA A:THR168 4.0 12.5 0.5 CA A:THR168 4.0 12.5 0.5 CG A:MET169 4.0 13.7 1.0 CG2 A:THR168 4.0 14.4 0.5 C A:THR168 4.3 11.8 0.5 C A:THR168 4.3 11.7 0.5 CB A:MET169 4.3 12.7 1.0 HG22 A:THR168 4.3 17.2 0.5 HG3 A:MET169 4.3 16.4 1.0 CE A:LYS56 4.3 15.8 1.0 HD2 A:LYS56 4.4 18.2 1.0 HG3 A:LYS56 4.4 16.7 1.0 HZ2 A:LYS56 4.4 19.3 1.0 CB A:THR168 4.4 14.4 0.5 CA A:MET169 4.5 12.3 1.0 HG22 A:THR168 4.5 17.9 0.5 CB A:THR168 4.5 14.1 0.5 O A:GLY167 4.7 14.2 1.0 HG21 A:THR168 4.7 17.2 0.5 NZ A:LYS56 4.8 16.1 1.0 CD A:LYS56 4.8 15.2 1.0 HZ1 A:LYS56 4.8 19.3 1.0 OG1 A:THR168 4.9 14.7 0.5 CG2 A:THR168 4.9 14.9 0.5

Iodine binding site 4 out of 4 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 4 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:I208 b:18.1 occ:0.34 O A:HOH500 2.9 55.9 1.0 HB3 A:PRO126 3.0 21.7 1.0 H A:SER127 3.2 15.7 1.0 H3B A:XYP201 3.3 33.9 0.8 HA2 A:GLY130 3.3 14.9 1.0 H1B A:XYP201 3.4 32.4 0.8 HA A:PRO126 3.5 19.4 1.0 H5B2 A:XYP202 3.6 29.2 1.0 O A:SER127 3.6 13.3 1.0 O A:HOH518 3.8 34.5 1.0 CB A:PRO126 3.9 18.1 1.0 N A:SER127 3.9 13.1 1.0 CA A:PRO126 4.1 16.2 1.0 CA A:GLY130 4.1 12.4 1.0 H A:GLY130 4.2 14.3 1.0 O2B A:XYP201 4.2 29.9 0.8 H5B2 A:XYP201 4.2 34.2 0.8 C3B A:XYP201 4.3 28.2 0.8 C1B A:XYP201 4.3 27.0 0.8 HB2 A:PRO126 4.4 21.7 1.0 C A:GLY130 4.4 11.5 1.0 C A:PRO126 4.5 14.4 1.0 C2B A:XYP201 4.5 28.6 0.8 C5B A:XYP202 4.6 24.4 1.0 N A:GLY130 4.6 11.9 1.0 C A:SER127 4.6 12.2 1.0 HG3 A:PRO126 4.6 23.2 1.0 H5B1 A:XYP202 4.7 29.2 1.0 N A:THR131 4.7 12.0 1.0 HO3B A:XYP201 4.8 33.7 0.8 H A:THR131 4.8 14.4 1.0 O A:GLY130 4.9 12.1 1.0 CG A:PRO126 4.9 19.3 1.0 HA3 A:GLY130 4.9 14.9 1.0 CA A:SER127 4.9 12.1 1.0

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