Chlorine in PDB 7n6o: The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose

The structure of The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose, PDB code: 7n6o was solved by K.Tan, J.F.St John, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.20 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.13, 107.494, 66.861, 90, 89.88, 90
R / Rfree (%)	16.5 / 21.4

Pages:

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

Binding sites:

The binding sites of Chlorine atom in the The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose (pdb code 7n6o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose, PDB code: 7n6o:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 11 in the The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:47.4 occ:1.00 NE1 A:TRP367 2.8 13.1 1.0 O A:HOH936 2.9 31.7 1.0 O A:HOH926 3.0 28.0 1.0 OD2 A:ASP387 3.0 21.6 1.0 CG A:ARG364 3.6 11.3 1.0 CB A:ARG364 3.6 11.4 1.0 CE2 A:TRP367 3.8 11.6 1.0 O A:HOH668 3.8 24.2 1.0 CD1 A:TRP367 3.8 12.5 1.0 CG A:ASP387 3.9 19.6 1.0 CZ2 A:TRP367 4.0 12.9 1.0 O A:HOH611 4.6 20.2 1.0 CB A:ASP387 4.6 16.6 1.0 OD1 A:ASP387 4.7 21.0 1.0 CA A:ARG364 5.0 12.6 1.0 OG1 A:THR390 5.0 18.1 1.0 CD2 A:TRP367 5.0 11.0 1.0

Chlorine binding site 2 out of 11 in the The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:31.7 occ:1.00 N A:ARG352 2.8 9.6 1.0 OD1 A:ASP301 3.0 16.6 1.0 O A:THR298 3.1 14.3 1.0 O A:THR297 3.2 14.5 1.0 N A:LYS351 3.2 11.1 1.0 C A:THR297 3.2 13.7 1.0 NH1 A:ARG352 3.4 9.0 1.0 CB A:ARG352 3.5 8.1 1.0 CG A:ARG352 3.5 7.7 1.0 CA A:THR297 3.5 15.2 1.0 CB A:ALA350 3.6 13.4 1.0 N A:GLY302 3.6 14.4 1.0 C A:LYS351 3.6 9.6 1.0 CA A:LYS351 3.7 10.7 1.0 CA A:ARG352 3.7 8.8 1.0 CB A:LYS351 3.7 10.5 1.0 CG A:ASP301 3.7 14.8 1.0 CB A:ASP301 3.8 13.9 1.0 N A:THR298 3.8 13.6 1.0 O A:ASP296 3.9 15.7 1.0 C A:ALA350 3.9 12.4 1.0 C A:THR298 4.0 14.1 1.0 CA A:GLY302 4.0 13.7 1.0 C A:ASP301 4.2 14.6 1.0 CD A:ARG352 4.2 8.9 1.0 CA A:ALA350 4.3 13.2 1.0 CZ A:ARG352 4.3 8.6 1.0 CA A:THR298 4.5 13.4 1.0 N A:THR297 4.5 15.6 1.0 CA A:ASP301 4.5 13.3 1.0 CB A:THR297 4.6 16.8 1.0 C A:ASP296 4.6 15.9 1.0 NE A:ARG352 4.7 7.9 1.0 O A:LYS351 4.7 9.9 1.0 O A:ALA350 4.7 13.9 1.0 CG A:LYS351 4.8 11.0 1.0 OD2 A:ASP301 4.9 16.1 1.0 N A:ASP301 4.9 11.8 1.0 O A:ASP301 4.9 16.1 1.0

Chlorine binding site 3 out of 11 in the The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:25.9 occ:1.00 OH A:TYR171 2.9 13.6 1.0 O A:LEU89 2.9 10.3 1.0 O A:SER144 3.0 10.5 1.0 O A:GLY90 3.0 11.0 1.0 CD2 A:LEU89 3.4 17.6 1.0 CA A:ASP91 3.5 11.1 1.0 C A:GLY90 3.5 9.6 1.0 CB A:ASP91 3.5 11.9 1.0 CE2 A:TYR171 3.6 11.8 1.0 O A:HOH659 3.6 11.8 1.0 CZ A:TYR171 3.6 12.8 1.0 N A:ASP91 3.7 11.4 1.0 C A:LEU89 3.8 10.9 1.0 CG1 A:VAL142 3.9 14.1 1.0 C A:SER144 4.1 9.9 1.0 CB A:LEU89 4.4 12.9 1.0 CA A:PRO145 4.4 11.0 1.0 N A:GLY90 4.5 11.6 1.0 CD A:PRO146 4.5 15.7 1.0 CG A:LEU89 4.5 14.2 1.0 CA A:GLY90 4.5 11.7 1.0 N A:PRO146 4.6 13.3 1.0 C A:PRO145 4.6 12.1 1.0 CG2 A:VAL142 4.6 12.5 1.0 N A:PRO145 4.7 10.5 1.0 CG A:ASP91 4.7 12.4 1.0 CA A:LEU89 4.7 12.0 1.0 CB A:VAL142 4.8 11.6 1.0 C A:ASP91 4.9 11.7 1.0 CD2 A:TYR171 4.9 11.7 1.0 OD2 A:ASP91 4.9 14.5 1.0 CE1 A:TYR171 4.9 12.5 1.0

Chlorine binding site 4 out of 11 in the The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:30.2 occ:1.00 O A:THR287 2.8 10.6 1.0 NH1 A:ARG86 2.8 13.2 1.0 O A:TYR323 3.0 11.6 1.0 CD A:ARG86 3.4 12.0 1.0 O A:TRP324 3.5 9.1 1.0 CE3 A:TRP324 3.7 10.8 1.0 CB A:SER49 3.7 11.3 1.0 CZ A:ARG86 3.8 13.7 1.0 CG A:GLU288 3.8 14.2 1.0 CA A:TRP324 3.9 8.8 1.0 CB A:GLU288 3.9 10.7 1.0 C A:THR287 4.0 9.7 1.0 NE A:ARG86 4.0 12.9 1.0 C A:TYR323 4.0 11.1 1.0 C A:TRP324 4.1 9.1 1.0 CB A:PHE322 4.1 10.7 1.0 CA A:GLU288 4.1 9.7 1.0 CZ3 A:TRP324 4.2 9.2 1.0 CB A:ARG86 4.2 9.9 1.0 CG A:ARG86 4.2 10.7 1.0 N A:SER49 4.3 11.9 1.0 CD2 A:PHE322 4.3 9.7 1.0 C A:VAL48 4.4 10.7 1.0 N A:TRP324 4.4 10.5 1.0 N A:GLU288 4.5 10.3 1.0 CA A:SER49 4.6 10.0 1.0 CD A:GLU288 4.6 17.1 1.0 CG A:PHE322 4.7 10.2 1.0 OE1 A:GLU288 4.7 17.2 1.0 OG A:SER49 4.7 11.7 1.0 CA A:VAL48 4.7 8.5 1.0 O A:VAL48 4.8 10.7 1.0 CD2 A:TRP324 4.8 10.8 1.0 NH2 A:ARG86 4.9 14.0 1.0

Chlorine binding site 5 out of 11 in the The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:33.4 occ:1.00 O A:HOH723 2.7 12.8 1.0 O A:GLU195 2.8 12.7 1.0 O A:ASN194 2.9 11.4 1.0 O A:LEU198 2.9 16.4 1.0 N A:CYS205 3.1 10.8 1.0 CB A:SER204 3.3 11.7 1.0 CA A:SER204 3.3 10.9 1.0 O A:CYS205 3.6 14.9 1.0 C A:GLU195 3.7 12.7 1.0 C A:SER204 3.7 11.2 1.0 NE2 A:GLN193 3.7 14.5 1.0 C A:ASN194 4.0 11.0 1.0 C A:LEU198 4.0 15.4 1.0 C A:CYS205 4.1 13.0 1.0 O A:TRP143 4.2 13.9 1.0 CA A:CYS205 4.2 12.1 1.0 CB A:GLU195 4.3 13.5 1.0 CA A:GLU195 4.4 11.6 1.0 N A:PRO196 4.5 12.9 1.0 OG A:SER204 4.6 10.9 1.0 N A:LEU198 4.6 16.6 1.0 N A:GLU195 4.7 11.9 1.0 CB A:LEU198 4.7 17.5 1.0 CA A:PRO196 4.7 12.8 1.0 CA A:LEU198 4.7 16.0 1.0 CD A:GLN193 4.7 12.8 1.0 N A:SER204 4.7 11.0 1.0 O A:SER203 4.7 11.5 1.0 O A:HOH660 4.9 26.9 1.0 O A:SER204 4.9 13.2 1.0 ND2 A:ASN194 5.0 13.1 1.0

Chlorine binding site 6 out of 11 in the The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:40.6 occ:1.00 NH2 A:ARG352 2.8 11.2 1.0 OD1 A:ASN295 2.9 16.4 1.0 O A:HOH644 3.0 23.9 1.0 NH1 A:ARG352 3.2 9.0 1.0 O A:ASP296 3.3 15.7 1.0 CA A:GLY334 3.3 12.0 1.0 O A:ASN333 3.3 11.9 1.0 CZ A:ARG352 3.4 8.6 1.0 CG2 A:THR297 3.4 17.5 1.0 N A:ASP296 3.5 17.8 1.0 C A:ASN333 3.5 11.5 1.0 N A:GLY334 3.5 11.8 1.0 NE2 A:GLN339 3.6 13.5 1.0 CA A:ASN295 3.6 15.4 1.0 C A:ASP296 3.6 15.9 1.0 C A:ASN295 3.6 17.6 1.0 CG A:ASN295 3.9 15.4 1.0 N A:THR297 4.1 15.6 1.0 CA A:ASP296 4.2 17.5 1.0 CB A:ASN295 4.4 15.0 1.0 O A:ASN295 4.4 19.7 1.0 CA A:THR297 4.4 15.2 1.0 O A:GLY294 4.5 16.2 1.0 CB A:THR297 4.5 16.8 1.0 CA A:ASN333 4.6 12.1 1.0 NE A:ARG352 4.6 7.9 1.0 CD A:GLN339 4.6 13.6 1.0 C A:GLY334 4.7 12.8 1.0 N A:ASN295 4.7 15.5 1.0

Chlorine binding site 7 out of 11 in the The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:25.2 occ:1.00 O B:GLU195 2.8 15.2 1.0 N B:CYS205 2.9 11.8 1.0 O B:ASN194 2.9 12.0 1.0 O B:LEU198 2.9 15.2 1.0 O B:HOH717 3.0 13.7 1.0 CA B:SER204 3.3 10.8 1.0 CB B:SER204 3.3 11.0 1.0 O B:CYS205 3.3 13.8 1.0 NE2 B:GLN193 3.5 13.0 1.0 C B:SER204 3.6 10.9 1.0 C B:GLU195 3.7 13.9 1.0 C B:CYS205 3.8 12.8 1.0 CA B:CYS205 4.0 11.4 1.0 C B:ASN194 4.1 11.6 1.0 C B:LEU198 4.1 15.4 1.0 O B:TRP143 4.1 12.0 1.0 CB B:GLU195 4.4 15.0 1.0 CA B:GLU195 4.5 13.8 1.0 CD B:GLN193 4.5 12.2 1.0 N B:PRO196 4.5 13.1 1.0 CA B:PRO196 4.6 11.5 1.0 OG B:SER204 4.6 11.4 1.0 N B:SER204 4.7 11.0 1.0 N B:LEU198 4.7 15.2 1.0 N B:GLU195 4.7 12.8 1.0 CA B:LEU198 4.8 15.8 1.0 O B:SER203 4.8 13.2 1.0 O B:SER204 4.8 11.4 1.0 CB B:CYS205 4.8 12.5 1.0 CB B:LEU198 4.8 16.6 1.0 N B:ARG206 4.9 13.2 1.0 CG B:GLN193 5.0 11.8 1.0 O B:HOH604 5.0 23.1 1.0

Chlorine binding site 8 out of 11 in the The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:28.9 occ:1.00 OD2 B:ASP91 2.9 17.5 1.0 N B:TRP143 2.9 8.9 1.0 O B:LEU89 2.9 12.1 1.0 N B:SER144 3.0 10.9 1.0 CB B:TRP143 3.4 10.9 1.0 CA B:TRP143 3.4 10.3 1.0 O B:SER144 3.4 12.2 1.0 CG1 B:ILE88 3.6 10.4 1.0 CG B:ASP91 3.7 15.6 1.0 CB B:ASP91 3.7 15.0 1.0 C B:TRP143 3.7 10.3 1.0 CD1 B:ILE88 3.7 12.6 1.0 O B:HOH708 3.8 16.2 1.0 C B:VAL142 3.9 8.1 1.0 C B:LEU89 4.1 10.8 1.0 CA B:VAL142 4.1 8.6 1.0 CA B:SER144 4.1 10.1 1.0 C B:SER144 4.2 10.3 1.0 CG1 B:VAL142 4.2 12.4 1.0 N B:ASP91 4.3 14.8 1.0 O B:HOH750 4.3 20.1 1.0 CA B:ASP91 4.5 13.7 1.0 CG B:TRP143 4.6 12.7 1.0 C B:GLY90 4.6 13.4 1.0 CB B:SER203 4.7 13.4 1.0 CB B:SER144 4.7 10.5 1.0 N B:LEU89 4.7 10.1 1.0 CB B:VAL142 4.8 10.5 1.0 O B:THR141 4.8 12.2 1.0 CE3 B:TRP143 4.8 11.4 1.0 OD1 B:ASP91 4.8 15.8 1.0 O B:TRP143 4.9 12.0 1.0 CA B:LEU89 4.9 10.7 1.0 OG B:SER203 5.0 15.0 1.0 N B:GLY90 5.0 12.6 1.0 CA B:GLY90 5.0 13.5 1.0 O B:VAL142 5.0 8.3 1.0

Chlorine binding site 9 out of 11 in the The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:24.5 occ:1.00 OD1 B:ASP301 2.8 14.5 1.0 N B:ARG352 2.8 9.4 1.0 O B:THR298 2.9 12.4 1.0 N B:LYS351 3.4 11.9 1.0 N B:GLY302 3.4 12.1 1.0 C B:THR297 3.4 12.4 1.0 CB B:ARG352 3.5 8.7 1.0 O B:THR297 3.5 12.9 1.0 CG B:ASP301 3.6 12.9 1.0 C B:LYS351 3.6 9.4 1.0 CG B:ARG352 3.6 8.6 1.0 CB B:ASP301 3.6 13.8 1.0 NH1 B:ARG352 3.6 12.0 1.0 CB B:LYS351 3.6 10.4 1.0 CA B:THR297 3.7 12.9 1.0 CA B:ARG352 3.7 10.1 1.0 CA B:LYS351 3.7 8.9 1.0 O B:ASP296 3.8 13.9 1.0 N B:THR298 3.8 11.9 1.0 CA B:GLY302 3.9 11.6 1.0 CB B:ALA350 3.9 12.7 1.0 C B:THR298 3.9 13.1 1.0 C B:ASP301 4.0 12.1 1.0 C B:ALA350 4.1 11.0 1.0 CD B:ARG352 4.3 9.5 1.0 CA B:ASP301 4.3 12.8 1.0 CA B:THR298 4.4 13.3 1.0 N B:THR297 4.5 12.4 1.0 C B:ASP296 4.5 13.3 1.0 CA B:ALA350 4.5 12.0 1.0 CZ B:ARG352 4.6 9.9 1.0 O B:LYS351 4.6 10.7 1.0 OD2 B:ASP301 4.7 13.1 1.0 N B:ASP301 4.7 11.9 1.0 O B:ASP301 4.7 13.3 1.0 CG B:LYS351 4.7 11.5 1.0 CB B:THR297 4.8 14.3 1.0 NE B:ARG352 4.8 9.6 1.0 O B:ALA350 5.0 12.0 1.0 N B:ILE299 5.0 13.0 1.0

Chlorine binding site 10 out of 11 in the The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The Crystal Structure of the GH30 Subfamily 10 Enzyme, ACXBH30A From Acetivibrio Clariflavus in Complex with Xylobiose within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl504 b:31.2 occ:1.00 OG B:SER83 2.7 13.5 1.0 O B:SER360 2.9 10.5 1.0 O B:ILE363 2.9 14.4 1.0 NH1 B:ARG364 3.4 7.9 1.0 CB B:SER83 3.4 11.6 1.0 O B:GLY81 3.5 14.3 1.0 CD1 B:PHE46 3.6 10.6 1.0 C B:SER360 3.8 9.1 1.0 CZ B:ARG364 3.8 9.6 1.0 N B:PHE46 4.0 10.2 1.0 C B:ILE363 4.0 11.6 1.0 CA B:SER360 4.0 9.9 1.0 N B:SER83 4.1 9.4 1.0 CA B:ARG364 4.2 10.8 1.0 CB B:SER360 4.3 8.3 1.0 CA B:GLY45 4.3 9.9 1.0 CD B:PRO365 4.3 11.3 1.0 NH2 B:ARG364 4.3 8.8 1.0 NE B:ARG364 4.4 10.5 1.0 CA B:SER83 4.4 10.1 1.0 CB B:PHE46 4.4 9.1 1.0 CE1 B:PHE46 4.5 10.1 1.0 CG B:PHE46 4.5 9.7 1.0 C B:GLY45 4.5 10.7 1.0 N B:ARG364 4.5 11.8 1.0 C B:GLY81 4.7 12.1 1.0 CD B:ARG364 4.7 10.0 1.0 C B:PHE82 4.7 10.2 1.0 C B:ARG364 4.8 10.2 1.0 CA B:PHE46 4.8 8.5 1.0 N B:PRO365 4.8 9.3 1.0 O B:PHE46 4.8 9.7 1.0 CA B:PHE82 4.8 10.8 1.0

F.J.St John, C.Crooks, Y.Kim, K.Tan, A.Joachimiak. The First Crystal Structure of A Xylobiose-Bound Xylobiohydrolase with High Functional Specificity From the Bacterial Glycoside Hydrolase Family 30, Subfamily 10. Febs Lett. V. 596 2449 2022.
ISSN: ISSN 0014-5793
PubMed: 35876256
DOI: 10.1002/1873-3468.14454