Chlorine in PDB 7k4o: Tannin Acyl Hydrolase From Aspergillus Niger

The structure of Tannin Acyl Hydrolase From Aspergillus Niger, PDB code: 7k4o was solved by B.Ren, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.76 / 1.65
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	170.92, 170.92, 111.061, 90, 90, 120
R / Rfree (%)	15.2 / 17.4

The structure of Tannin Acyl Hydrolase From Aspergillus Niger also contains other interesting chemical elements:

Calcium	(Ca)	1 atom
Sodium	(Na)	1 atom
Zinc	(Zn)	4 atoms

The binding sites of Chlorine atom in the Tannin Acyl Hydrolase From Aspergillus Niger (pdb code 7k4o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Tannin Acyl Hydrolase From Aspergillus Niger, PDB code: 7k4o:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Tannin Acyl Hydrolase From Aspergillus Niger


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Tannin Acyl Hydrolase From Aspergillus Niger within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl609 b:40.3 occ:1.00 HE22 A:GLN203 2.1 22.9 0.0 HD22 A:ASN501 2.2 22.4 0.0 O A:HOH1214 2.8 26.9 1.0 HG22 A:ILE227 2.8 21.2 1.0 HB2 A:ASN501 2.8 22.7 1.0 O A:HOH851 2.9 23.3 1.0 NE2 A:GLN203 2.9 22.9 1.0 ND2 A:ASN501 2.9 22.4 1.0 HG21 A:ILE227 3.0 21.2 1.0 HD1 A:PHE69 3.0 30.5 1.0 HE1 A:PHE434 3.1 23.3 1.0 HG3 A:GLN203 3.2 20.1 1.0 CG2 A:ILE227 3.3 21.2 1.0 HE21 A:GLN203 3.4 22.9 0.0 HZ A:PHE434 3.4 23.1 1.0 HD21 A:ASN501 3.4 22.4 0.0 CB A:ASN501 3.6 22.7 1.0 CE1 A:PHE434 3.6 23.3 1.0 HG23 A:ILE227 3.7 21.2 1.0 CG A:ASN501 3.7 22.9 1.0 HB3 A:PHE69 3.7 25.8 1.0 CZ A:PHE434 3.8 23.1 1.0 CD1 A:PHE69 3.8 30.5 1.0 CG A:GLN203 3.8 20.1 1.0 CD A:GLN203 3.9 20.7 1.0 HB3 A:ASN501 3.9 22.7 1.0 HG2 A:GLN203 4.0 20.1 1.0 HA A:PHE69 4.3 26.7 1.0 H A:ASN501 4.4 22.6 1.0 CB A:PHE69 4.4 25.8 1.0 O A:PHE69 4.5 24.9 1.0 HE1 A:PHE69 4.5 32.1 1.0 HD13 A:ILE227 4.5 23.2 1.0 CG A:PHE69 4.5 27.2 1.0 O A:PRO498 4.6 27.5 1.0 CE1 A:PHE69 4.6 32.1 1.0 CB A:ILE227 4.6 20.0 1.0 HB A:ILE227 4.7 20.0 1.0 CD1 A:PHE434 4.7 22.3 1.0 O A:HOH1281 4.7 26.8 1.0 CA A:ASN501 4.9 21.9 1.0 CA A:PHE69 4.9 26.7 1.0 OD1 A:ASN501 4.9 22.3 1.0 HD1 A:PHE434 5.0 22.3 1.0 CE2 A:PHE434 5.0 24.4 1.0 HG2 A:PRO498 5.0 26.3 1.0

Chlorine binding site 2 out of 2 in the Tannin Acyl Hydrolase From Aspergillus Niger


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Tannin Acyl Hydrolase From Aspergillus Niger within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl610 b:39.2 occ:0.80 HE A:ARG187 2.3 22.3 0.5 HH11 A:ARG187 2.4 24.2 0.5 HH21 A:ARG187 2.7 23.5 0.5 HD2 A:ARG187 2.8 25.4 0.5 HB3 A:LEU198 3.0 20.4 1.0 NE A:ARG187 3.1 22.3 0.5 O A:HOH797 3.2 36.4 1.0 NH1 A:ARG187 3.2 24.2 0.5 HE2 A:LYS183 3.2 24.2 1.0 HD23 A:LEU198 3.2 23.7 1.0 NH2 A:ARG187 3.4 23.5 0.5 O A:HOH967 3.4 32.1 1.0 CZ A:ARG187 3.6 22.0 0.5 HE3 A:LYS183 3.6 24.2 1.0 HH22 A:ARG187 3.7 23.5 0.5 CD A:ARG187 3.8 25.4 0.5 CE A:LYS183 3.9 24.2 1.0 O A:HOH1132 3.9 41.0 1.0 HB3 A:LYS183 3.9 20.2 1.0 CB A:LEU198 4.0 20.4 1.0 HH12 A:ARG187 4.0 24.2 0.5 HZ2 A:LYS183 4.0 24.8 1.0 CD2 A:LEU198 4.1 23.7 1.0 HB2 A:LEU198 4.1 20.4 1.0 HD21 A:LEU198 4.2 23.7 1.0 HD3 A:ARG187 4.2 25.4 0.5 CD A:ARG187 4.2 22.2 0.5 HD2 A:ARG187 4.2 22.2 0.5 O A:HOH1254 4.2 37.3 1.0 CZ A:ARG187 4.3 23.8 0.5 H A:LEU198 4.3 21.1 1.0 O A:HOH771 4.3 67.9 1.0 NE A:ARG187 4.4 24.4 0.5 NZ A:LYS183 4.4 24.8 1.0 HG3 A:ARG187 4.5 22.8 0.5 CG A:LEU198 4.6 21.5 1.0 O A:LEU198 4.7 21.9 1.0 HG2 A:ARG187 4.7 24.4 0.5 HG3 A:ARG187 4.7 24.4 0.5 CG A:ARG187 4.7 24.4 0.5 HG A:LEU198 4.8 21.5 1.0 O A:HOH1253 4.8 38.6 1.0 HD22 A:LEU198 4.8 23.7 1.0 CG A:ARG187 4.8 22.8 0.5 CB A:LYS183 4.8 20.2 1.0 HZ3 A:LYS183 4.9 24.8 1.0 NH2 A:ARG187 4.9 20.7 0.5 O A:HOH918 5.0 44.1 1.0 N A:LEU198 5.0 21.1 1.0 CA A:LEU198 5.0 20.6 1.0 HG2 A:ARG187 5.0 22.8 0.5

L.Dong, W.J.Mckinstry, L.Pan, J.Newman, B.Ren. Crystal Structure of Fungal Tannase From Aspergillus Niger. Acta Crystallogr D Struct V. 77 267 2021BIOL.
ISSN: ISSN 2059-7983
PubMed: 33559614
DOI: 10.1107/S2059798320016484