Iodine in PDB 7kn8: Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752)

The structure of Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752), PDB code: 7kn8 was solved by E.A.Araujo, P.S.Vieira, M.T.Murakami, I.Polikarpov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.99 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	81.79, 100.43, 168.274, 90, 90, 90
R / Rfree (%)	21.6 / 25.2

The structure of Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752) also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752) (pdb code 7kn8). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 14 binding sites of Iodine where determined in the Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752), PDB code: 7kn8:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 14 in the Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752) within 5.0Å range: probe atom residue distance (Å) B Occ A:I807 b:34.8 occ:1.00 O A:HOH1239 3.3 18.6 1.0 N A:GLY272 3.4 18.2 1.0 N B:THR255 3.5 17.6 1.0 CA B:GLN254 3.6 18.2 1.0 CB B:GLN254 3.6 18.1 1.0 CD B:ARG275 3.7 18.0 1.0 O B:HOH1174 3.7 18.6 1.0 NE B:ARG275 3.7 17.7 1.0 O A:HOH1253 3.8 19.1 1.0 CA A:ALA271 3.8 18.8 1.0 C B:GLN254 3.9 18.0 1.0 OG1 B:THR255 4.0 17.5 1.0 C A:ALA271 4.1 18.6 1.0 CB A:ALA271 4.2 19.0 1.0 CG B:GLN254 4.3 18.3 1.0 CA A:GLY272 4.3 18.0 1.0 CA B:THR255 4.6 17.4 1.0 CB B:THR255 4.7 17.2 1.0 CG B:ARG275 4.8 17.9 1.0 O B:HOH1058 4.9 19.0 1.0 CZ B:ARG275 4.9 17.7 1.0 N B:GLN254 4.9 18.2 1.0 OE1 B:GLN254 4.9 17.9 1.0 O A:VAL270 5.0 17.8 1.0 O B:HOH1050 5.0 19.3 1.0 O B:GLN254 5.0 17.9 1.0

Iodine binding site 2 out of 14 in the Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752) within 5.0Å range: probe atom residue distance (Å) B Occ A:I808 b:47.8 occ:1.00 O A:HOH1262 3.3 26.0 1.0 O A:HOH967 3.5 23.5 1.0 CA A:PRO668 3.8 22.7 1.0 N A:PRO668 3.9 22.8 1.0 O A:HOH1270 4.0 23.9 1.0 CG1 A:VAL694 4.0 22.4 1.0 CD1 A:TRP710 4.2 20.3 1.0 CG A:PRO668 4.2 22.8 1.0 CB A:PRO668 4.2 22.8 1.0 C A:GLN667 4.2 23.1 1.0 O A:GLN667 4.3 23.1 1.0 CD A:PRO668 4.4 22.8 1.0 CB A:SER666 4.5 21.9 1.0 N A:GLN667 4.6 23.3 1.0 NE1 A:TRP710 4.8 20.2 1.0 OG A:SER666 4.9 21.9 1.0 CG2 A:VAL694 4.9 22.2 1.0 CB A:VAL694 4.9 22.3 1.0

Iodine binding site 3 out of 14 in the Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752) within 5.0Å range: probe atom residue distance (Å) B Occ A:I809 b:60.3 occ:1.00 NH1 A:ARG432 3.4 28.8 1.0 ND2 A:ASN423 3.5 23.4 1.0 O A:ASP426 3.6 26.2 1.0 CB A:ASN423 3.8 23.6 1.0 CB A:ASP426 3.9 26.5 1.0 C A:ASP426 3.9 26.3 1.0 CA A:PHE427 4.1 26.0 1.0 N A:PHE427 4.2 26.2 1.0 CG A:ASN423 4.2 23.5 1.0 O A:HOH906 4.2 28.3 1.0 CD A:ARG432 4.4 29.6 1.0 CB A:ARG432 4.5 28.8 1.0 CA A:ASP426 4.5 26.5 1.0 CZ A:ARG432 4.6 29.3 1.0 O A:HOH1139 4.8 26.7 1.0 CG A:ARG432 4.8 29.4 1.0 CB A:PHE427 4.9 26.1 1.0 O A:ARG432 4.9 28.7 1.0 NE A:ARG432 5.0 29.7 1.0

Iodine binding site 4 out of 14 in the Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752) within 5.0Å range: probe atom residue distance (Å) B Occ A:I810 b:64.5 occ:1.00 NE2 A:GLN658 3.6 22.9 1.0 CB A:ASP659 3.8 23.7 1.0 CG A:ASP659 3.9 23.9 1.0 OD2 A:ASP659 4.0 23.9 1.0 CG A:GLN658 4.4 22.9 1.0 CD A:GLN658 4.5 22.8 1.0 OD1 A:ASP659 4.6 24.1 1.0 CA A:ASP659 4.9 23.8 1.0

Iodine binding site 5 out of 14 in the Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752) within 5.0Å range: probe atom residue distance (Å) B Occ A:I811 b:61.6 occ:1.00 NH2 A:ARG195 3.4 22.1 1.0 CA A:ASP194 3.7 21.5 1.0 C A:ASP194 3.8 21.4 1.0 CG A:ARG178 4.1 20.8 1.0 O A:ASP194 4.1 21.1 1.0 CG A:ARG195 4.1 21.8 1.0 CB A:ASP194 4.2 21.4 1.0 N A:ARG195 4.2 21.7 1.0 CB A:ARG195 4.4 21.6 1.0 CD A:ARG178 4.5 21.0 1.0 CD A:ARG195 4.7 21.7 1.0 CZ A:ARG195 4.7 22.0 1.0 CB A:ARG178 4.7 20.8 1.0 O A:ASP193 4.7 21.4 1.0 O A:HOH1279 4.9 24.1 1.0 N A:ASP194 4.9 21.5 1.0 CA A:ARG195 5.0 21.5 1.0

Iodine binding site 6 out of 14 in the Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752) within 5.0Å range: probe atom residue distance (Å) B Occ A:I812 b:48.9 occ:1.00 O A:HOH947 3.1 19.4 1.0 C1 C:BGC1 3.8 24.3 1.0 CZ A:ARG356 3.8 23.8 1.0 NE A:ARG356 3.9 23.8 1.0 NH2 A:ARG356 4.0 23.6 1.0 CG A:ARG354 4.0 21.3 1.0 CA A:ARG354 4.0 21.0 1.0 CB A:HIS395 4.1 18.2 1.0 O1 C:BGC1 4.1 26.4 1.0 CD1 A:TRP396 4.2 18.1 1.0 NH1 A:ARG356 4.2 23.9 1.0 NE1 A:TRP396 4.3 18.3 1.0 O5 C:BGC1 4.4 23.3 1.0 CB A:ARG354 4.4 21.2 1.0 O A:HOH1052 4.5 22.3 1.0 CD A:ARG356 4.5 23.7 1.0 CG A:HIS395 4.6 18.2 1.0 OD2 A:ASP360 4.6 20.0 1.0 N A:ARG354 4.6 21.1 1.0 C5 C:BGC1 4.6 21.7 1.0 CD2 A:HIS395 4.8 18.3 1.0 C2 C:BGC1 4.9 22.8 1.0 C A:ARG354 5.0 20.9 1.0 NH1 A:ARG354 5.0 21.5 1.0 CD A:ARG354 5.0 21.5 1.0

Iodine binding site 7 out of 14 in the Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752) within 5.0Å range: probe atom residue distance (Å) B Occ A:I813 b:53.4 occ:1.00 O A:HOH1011 3.1 21.3 1.0 N A:VAL509 3.2 21.0 1.0 NH1 A:ARG518 3.2 20.0 1.0 O A:VAL509 3.3 20.9 1.0 O A:HOH1363 3.5 22.9 1.0 CA A:THR508 3.7 18.8 1.0 CD A:ARG518 3.7 19.9 1.0 CB A:THR508 3.7 18.6 1.0 C A:VAL509 3.9 20.7 1.0 C A:THR508 4.0 18.9 1.0 CA A:VAL509 4.1 20.8 1.0 CZ A:ARG518 4.3 20.2 1.0 CG2 A:THR508 4.3 18.4 1.0 CD A:ARG512 4.4 22.6 1.0 NE A:ARG518 4.4 20.1 1.0 CB A:ARG512 4.6 22.1 1.0 CB A:VAL509 4.7 20.9 1.0 CG A:ARG518 4.9 19.8 1.0 O A:GLN540 4.9 21.6 1.0 OG1 A:THR508 5.0 18.3 1.0 N A:ARG510 5.0 21.6 1.0

Iodine binding site 8 out of 14 in the Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752) within 5.0Å range: probe atom residue distance (Å) B Occ B:I806 b:34.1 occ:1.00 N B:GLY272 3.3 18.4 1.0 O B:HOH1216 3.4 18.2 1.0 O A:HOH999 3.4 18.9 1.0 N A:THR255 3.6 17.2 1.0 CB A:GLN254 3.6 18.1 1.0 CD A:ARG275 3.6 18.4 1.0 CA A:GLN254 3.6 18.1 1.0 NE A:ARG275 3.7 18.6 1.0 CA B:ALA271 3.8 18.4 1.0 C A:GLN254 4.0 18.4 1.0 OG1 A:THR255 4.0 17.6 1.0 C B:ALA271 4.0 18.6 1.0 CB B:ALA271 4.1 18.5 1.0 CA B:GLY272 4.2 18.6 1.0 CG A:GLN254 4.2 17.8 1.0 CA A:THR255 4.6 17.5 1.0 CB A:THR255 4.8 17.7 1.0 CZ A:ARG275 4.8 18.8 1.0 O A:HOH911 4.8 18.6 1.0 CG A:ARG275 4.9 18.3 1.0 O B:VAL270 4.9 17.2 1.0 OE1 A:GLN254 5.0 17.9 1.0 CD A:GLN254 5.0 17.8 1.0 N A:GLN254 5.0 18.0 1.0 N B:ALA271 5.0 18.1 1.0

Iodine binding site 9 out of 14 in the Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752) within 5.0Å range: probe atom residue distance (Å) B Occ B:I807 b:49.7 occ:1.00 O B:HOH1161 3.2 25.6 1.0 O B:HOH966 3.4 23.1 1.0 O B:HOH1358 3.6 24.0 1.0 CG1 B:VAL694 3.9 21.9 1.0 CD1 B:TRP710 4.0 20.8 1.0 N B:PRO668 4.0 22.8 1.0 CA B:PRO668 4.0 22.7 1.0 C B:GLN667 4.3 23.6 1.0 CD B:PRO668 4.4 22.9 1.0 CB B:SER666 4.4 22.4 1.0 CB B:PRO668 4.5 22.7 1.0 O B:GLN667 4.5 23.6 1.0 NE1 B:TRP710 4.6 20.7 1.0 N B:GLN667 4.6 23.9 1.0 CG2 B:VAL694 4.7 21.8 1.0 CB B:VAL694 4.8 21.8 1.0 OG B:SER666 4.9 22.4 1.0 CG B:GLN695 4.9 22.1 1.0 NE2 B:GLN695 5.0 22.3 1.0

Iodine binding site 10 out of 14 in the Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752) within 5.0Å range: probe atom residue distance (Å) B Occ B:I808 b:62.7 occ:1.00 CG B:ARG195 3.6 21.9 1.0 CA B:ASP194 3.9 21.7 1.0 C B:ASP194 3.9 21.7 1.0 O B:HOH1269 3.9 25.4 1.0 CD B:ARG195 3.9 21.9 1.0 CG B:ARG178 4.1 21.5 1.0 O B:ASP194 4.2 21.7 1.0 CB B:ARG195 4.2 21.9 1.0 N B:ARG195 4.3 21.8 1.0 CD B:ARG178 4.4 21.5 1.0 CB B:ASP194 4.4 21.8 1.0 O B:HOH1244 4.5 25.2 1.0 CB B:ARG178 4.6 21.4 1.0 O B:ASP193 4.8 21.5 1.0 CA B:ARG195 4.9 21.8 1.0

E.A.Araujo, P.S.Vieira, M.T.Murakami, I.Polikarpov. Crystal Structure of the GH74 Xyloglucanase From Xanthomonas Campestris (XCC1752) To Be Published.