Iodine in PDB 5ziw: Crystal Structures of Mutant Endo-Beta-1,4-Xylanase(Y77F)

All present enzymatic activity of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase(Y77F):
3.2.1.8;

The structure of Crystal Structures of Mutant Endo-Beta-1,4-Xylanase(Y77F), PDB code: 5ziw 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)	45.29 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.424, 59.378, 70.046, 90.00, 90.00, 90.00
R / Rfree (%)	14.3 / 16.2

The binding sites of Iodine atom in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase(Y77F) (pdb code 5ziw). 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(Y77F), PDB code: 5ziw:
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(Y77F)


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(Y77F) within 5.0Å range: probe atom residue distance (Å) B Occ A:I201 b:9.2 occ:1.00 H A:SER146 2.8 10.1 1.0 HG A:SER146 3.0 12.9 0.7 HB2 A:ARG145 3.4 9.7 1.0 O A:HOH405 3.4 12.9 1.0 HA A:ARG145 3.5 10.4 1.0 O A:HOH338 3.5 10.0 1.0 N A:SER146 3.6 8.4 1.0 H A:SER147 3.7 10.4 1.0 OG A:SER146 3.8 10.8 0.7 O A:HOH306 4.0 19.8 1.0 CA A:ARG145 4.1 8.6 1.0 CB A:ARG145 4.1 8.0 1.0 HB2 A:SER146 4.2 13.0 0.3 N A:SER147 4.3 8.7 1.0 HB2 A:SER147 4.3 11.9 1.0 HB3 A:ARG145 4.4 9.7 1.0 C A:ARG145 4.4 8.3 1.0 O A:HOH558 4.5 19.9 1.0 HG A:SER147 4.5 12.6 1.0 CA A:SER146 4.5 9.2 1.0 HG A:SER146 4.6 14.0 0.3 C A:SER146 4.7 9.2 1.0 CB A:SER146 4.8 10.8 1.0

Iodine binding site 2 out of 3 in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase(Y77F)


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(Y77F) within 5.0Å range: probe atom residue distance (Å) B Occ A:I202 b:27.5 occ:1.00 H A:MET169 2.8 11.3 0.6 H A:MET169 2.8 11.3 0.4 HG2 A:MET169 3.1 14.4 0.9 HA A:THR168 3.1 11.9 0.4 HA A:THR168 3.2 13.1 0.6 HE3 A:LYS56 3.3 16.8 1.0 HG23 A:THR168 3.5 18.4 0.6 O A:HOH392 3.5 17.2 1.0 N A:MET169 3.7 9.4 1.0 HD2 A:LYS56 3.9 16.5 1.0 CG A:MET169 4.0 12.0 1.0 CA A:THR168 4.0 9.9 0.4 HG3 A:LYS56 4.0 14.7 1.0 HB2 A:MET169 4.0 13.1 1.0 HZ2 A:LYS56 4.0 18.3 1.0 CE A:LYS56 4.1 14.0 1.0 CA A:THR168 4.1 10.9 0.6 O A:HOH371 4.1 21.4 1.0 HB A:THR168 4.1 13.6 0.4 HG3 A:MET169 4.2 14.4 0.9 HG22 A:THR168 4.2 18.4 0.6 CG2 A:THR168 4.2 15.4 0.6 HG22 A:THR168 4.3 14.2 0.4 CD A:LYS56 4.4 13.7 1.0 C A:THR168 4.4 9.4 0.4 C A:THR168 4.4 9.8 0.6 CB A:MET169 4.4 10.9 1.0 NZ A:LYS56 4.4 15.3 1.0 O A:GLY167 4.5 13.4 1.0 HZ1 A:LYS56 4.5 18.3 1.0 CB A:THR168 4.6 11.3 0.4 CA A:MET169 4.7 9.4 1.0 CG A:LYS56 4.7 12.3 1.0 CB A:THR168 4.7 14.4 0.6 HA A:THR55 4.8 11.2 1.0 HE2 A:LYS56 4.8 16.8 1.0 CG2 A:THR168 4.9 11.9 0.4

Iodine binding site 3 out of 3 in the Crystal Structures of Mutant Endo-Beta-1,4-Xylanase(Y77F)


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(Y77F) within 5.0Å range: probe atom residue distance (Å) B Occ A:I203 b:29.8 occ:1.00 HE A:ARG119 2.9 24.9 1.0 O A:HOH357 3.2 36.8 1.0 HA A:THR120 3.4 11.2 1.0 HE1 A:TYR135 3.5 17.8 1.0 HB2 A:GLN121 3.5 15.8 1.0 HG2 A:ARG119 3.6 14.5 1.0 NE A:ARG119 3.8 20.7 1.0 HD1 A:TYR135 3.9 15.1 1.0 O A:ARG119 3.9 10.6 1.0 C A:THR120 4.0 9.7 1.0 CA A:THR120 4.0 9.3 1.0 O A:HOH344 4.1 15.6 1.0 N A:GLN121 4.1 11.1 1.0 CE1 A:TYR135 4.2 14.8 1.0 H A:GLN121 4.2 13.3 1.0 HH21 A:ARG119 4.2 33.1 1.0 HB3 A:GLN121 4.2 15.8 1.0 CB A:GLN121 4.2 13.2 1.0 C A:ARG119 4.2 9.1 1.0 CG A:ARG119 4.3 12.1 1.0 O A:THR120 4.4 10.0 1.0 CD1 A:TYR135 4.4 12.6 1.0 N A:THR120 4.4 9.2 1.0 HB3 A:ARG119 4.4 12.0 1.0 HD2 A:ARG119 4.4 19.4 1.0 CD A:ARG119 4.5 16.2 1.0 HG1 A:THR103 4.5 20.0 0.9 O A:HOH439 4.6 19.1 1.0 NH2 A:ARG119 4.7 27.6 1.0 CZ A:ARG119 4.8 25.3 1.0 CA A:GLN121 4.8 12.0 1.0 CB A:ARG119 4.8 10.0 1.0 H A:THR120 5.0 11.0 1.0

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