Iodine in PDB 5zh9: Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)

All present enzymatic activity of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F):
3.2.1.8;

The structure of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F), PDB code: 5zh9 was solved by X.Zhang, Q.Wan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.78 / 1.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.331, 59.327, 70.056, 90.00, 90.00, 90.00
R / Rfree (%)	13.7 / 14.8

The binding sites of Iodine atom in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F) (pdb code 5zh9). 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 Mutant Endo-Beta-1,4-Xylanase II (Y88F), PDB code: 5zh9:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)


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 Mutant Endo-Beta-1,4-Xylanase II (Y88F) within 5.0Å range: probe atom residue distance (Å) B Occ A:I201 b:7.8 occ:1.00 H A:SER146 2.8 8.5 1.0 HG A:SER146 3.2 9.6 0.7 HB2 A:ARG145 3.4 8.1 1.0 HA A:ARG145 3.5 8.3 1.0 O A:HOH425 3.5 10.8 1.0 O A:HOH327 3.6 8.5 1.0 H A:SER147 3.6 9.1 1.0 N A:SER146 3.7 7.1 1.0 OG A:SER146 3.8 8.0 0.7 O A:HOH302 4.0 16.5 1.0 CB A:ARG145 4.1 6.8 1.0 CA A:ARG145 4.1 7.0 1.0 HB2 A:SER146 4.2 10.9 0.3 N A:SER147 4.3 7.6 1.0 HB2 A:SER147 4.3 10.3 1.0 HB3 A:ARG145 4.3 8.1 1.0 C A:ARG145 4.4 7.3 1.0 O A:HOH559 4.5 16.9 1.0 HG A:SER147 4.5 9.9 1.0 CA A:SER146 4.5 7.8 1.0 C A:SER146 4.7 7.5 1.0 CB A:SER146 4.8 9.1 1.0 OG A:SER146 5.0 9.8 0.3

Iodine binding site 2 out of 3 in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)


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 Mutant Endo-Beta-1,4-Xylanase II (Y88F) within 5.0Å range: probe atom residue distance (Å) B Occ A:I202 b:54.3 occ:1.00 HB2 A:GLN121 3.3 13.0 1.0 HE A:ARG119 3.3 23.7 1.0 HE1 A:TYR135 3.4 15.9 1.0 HA A:THR120 3.4 9.0 1.0 HG2 A:ARG119 3.5 13.3 1.0 O A:HOH439 3.5 33.0 1.0 HD1 A:TYR135 3.8 13.7 1.0 C A:THR120 3.9 7.7 1.0 O A:ARG119 4.0 8.6 1.0 O A:HOH370 4.0 40.2 1.0 CA A:THR120 4.0 7.5 1.0 N A:GLN121 4.1 8.5 1.0 NE A:ARG119 4.1 19.7 1.0 CE1 A:TYR135 4.1 13.2 1.0 CB A:GLN121 4.1 10.8 1.0 O A:HOH343 4.1 12.8 1.0 H A:GLN121 4.2 10.2 1.0 HB3 A:GLN121 4.2 13.0 1.0 O A:THR120 4.3 7.7 1.0 C A:ARG119 4.3 7.5 1.0 CG A:ARG119 4.3 11.1 1.0 CD1 A:TYR135 4.3 11.4 1.0 N A:THR120 4.4 7.3 1.0 HD2 A:ARG119 4.5 18.5 1.0 HB3 A:ARG119 4.5 10.4 1.0 CD A:ARG119 4.6 15.4 1.0 HH21 A:ARG119 4.6 29.4 1.0 O A:HOH432 4.6 17.3 1.0 CA A:GLN121 4.7 9.5 1.0 CB A:ARG119 4.9 8.7 1.0

Iodine binding site 3 out of 3 in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II (Y88F)


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 Mutant Endo-Beta-1,4-Xylanase II (Y88F) within 5.0Å range: probe atom residue distance (Å) B Occ A:I203 b:22.3 occ:1.00 H A:MET169 2.8 10.0 0.4 H A:MET169 2.8 10.0 0.6 HG2 A:MET169 3.0 13.3 1.0 HE3 A:LYS56 3.1 13.7 0.9 HA A:THR168 3.1 11.5 0.6 HA A:THR168 3.2 11.3 0.4 HG23 A:THR168 3.4 13.8 0.4 O A:HOH415 3.5 14.8 1.0 N A:MET169 3.6 8.3 1.0 HG3 A:LYS56 3.8 11.2 0.9 CG A:MET169 3.9 11.1 1.0 HB2 A:MET169 3.9 11.1 1.0 CE A:LYS56 3.9 11.4 0.9 HD2 A:LYS56 4.0 12.9 0.9 CA A:THR168 4.0 9.6 0.6 O A:HOH475 4.0 40.6 1.0 CA A:THR168 4.0 9.4 0.4 HG22 A:THR168 4.1 13.8 0.4 HZ2 A:LYS56 4.1 14.9 0.9 CG2 A:THR168 4.1 11.5 0.4 HB A:THR168 4.1 13.8 0.6 HG3 A:MET169 4.3 13.3 1.0 O A:HOH323 4.3 17.9 1.0 CB A:MET169 4.3 9.3 1.0 CD A:LYS56 4.4 10.8 0.9 C A:THR168 4.4 8.7 0.6 C A:THR168 4.4 8.7 0.4 HG22 A:THR168 4.4 14.1 0.6 NZ A:LYS56 4.4 12.4 0.9 O A:GLY167 4.5 11.2 1.0 CB A:THR168 4.5 11.5 0.6 CG A:LYS56 4.6 9.4 0.9 HZ1 A:LYS56 4.6 14.9 0.9 CA A:MET169 4.6 8.3 1.0 HE2 A:LYS56 4.6 13.7 0.9 CB A:THR168 4.7 11.2 0.4 HA A:THR55 4.8 9.4 1.0 HG21 A:THR168 4.9 13.8 0.4 CG2 A:THR168 4.9 11.8 0.6

X.Zhang, Q.Wan. Crystal Structures of Mutant Endo-Beta-1,4-Xylanase II To Be Published.