Chlorine in PDB 8bwk: Metagenomic Derived PL6 Alginate Lyase

The structure of Metagenomic Derived PL6 Alginate Lyase, PDB code: 8bwk was solved by E.F.Angen, C.Wilkens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.86 / 2.29
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.749, 228.85, 113.733, 90, 101.86, 90
R / Rfree (%)	18 / 21

The binding sites of Chlorine atom in the Metagenomic Derived PL6 Alginate Lyase (pdb code 8bwk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Metagenomic Derived PL6 Alginate Lyase, PDB code: 8bwk:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Metagenomic Derived PL6 Alginate Lyase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Metagenomic Derived PL6 Alginate Lyase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl804 b:37.2 occ:1.00 H A:LEU156 2.4 33.0 1.0 HH11 A:ARG155 3.0 63.4 1.0 HA A:ARG155 3.0 35.3 1.0 HD2 A:ARG155 3.1 46.0 1.0 HA2 A:GLY190 3.1 31.5 1.0 N A:LEU156 3.2 27.5 1.0 OG1 A:THR191 3.2 34.0 1.0 H A:THR191 3.2 40.8 1.0 HG23 A:THR191 3.3 34.6 1.0 O A:HOH950 3.3 28.6 1.0 HG1 A:THR191 3.4 40.9 1.0 HB2 A:LEU156 3.5 36.6 1.0 HD2 A:TYR194 3.5 39.4 1.0 N A:THR191 3.6 34.0 1.0 NH1 A:ARG155 3.6 52.8 1.0 HG22 A:THR191 3.7 34.6 1.0 CG2 A:THR191 3.8 28.8 1.0 CA A:ARG155 3.8 29.4 1.0 C A:GLY190 3.9 30.1 1.0 CA A:GLY190 3.9 26.3 1.0 HH12 A:ARG155 3.9 63.4 1.0 HB2 A:TYR194 3.9 42.0 1.0 CB A:THR191 4.0 35.4 1.0 C A:ARG155 4.0 29.3 1.0 CD A:ARG155 4.0 38.3 1.0 CA A:LEU156 4.0 32.3 1.0 HG A:LEU156 4.1 38.5 1.0 CD2 A:TYR194 4.1 32.9 1.0 CB A:LEU156 4.1 30.5 1.0 HB3 A:ASN157 4.1 43.9 1.0 H A:ASN157 4.2 35.3 1.0 HB3 A:ARG155 4.2 40.9 1.0 N A:ASN157 4.3 29.4 1.0 C A:LEU156 4.3 30.3 1.0 O A:VAL154 4.4 28.5 1.0 CA A:THR191 4.4 34.5 1.0 HD3 A:ARG155 4.4 46.0 1.0 HD11 A:LEU156 4.5 36.5 1.0 CB A:ARG155 4.5 34.0 1.0 HA3 A:GLY190 4.5 31.5 1.0 HH21 A:ARG188 4.5 42.6 1.0 CZ A:ARG155 4.5 46.7 1.0 CG A:LEU156 4.6 32.0 1.0 H A:GLY190 4.6 37.0 1.0 O A:GLY190 4.7 32.0 1.0 NE A:ARG155 4.7 46.0 1.0 HG21 A:THR191 4.7 34.6 1.0 CB A:TYR194 4.8 35.0 1.0 HE2 A:TYR194 4.8 42.5 1.0 CG A:TYR194 4.8 34.8 1.0 CG A:ARG155 4.8 31.1 1.0 N A:GLY190 4.8 30.8 1.0 CE2 A:TYR194 4.8 35.4 1.0 HB A:THR191 4.8 42.5 1.0 HA A:ASN157 4.9 38.8 1.0 HA A:LEU156 4.9 38.8 1.0 CB A:ASN157 4.9 36.5 1.0 N A:ARG155 5.0 30.1 1.0 CA A:ASN157 5.0 32.3 1.0 HB3 A:LEU156 5.0 36.6 1.0

Chlorine binding site 2 out of 6 in the Metagenomic Derived PL6 Alginate Lyase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Metagenomic Derived PL6 Alginate Lyase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl805 b:36.3 occ:1.00 H B:LEU156 2.4 42.1 1.0 HE B:ARG155 3.0 55.0 1.0 HA B:ARG155 3.0 37.8 1.0 HH21 B:ARG155 3.0 62.2 1.0 OG1 B:THR191 3.1 35.9 1.0 O B:HOH962 3.2 31.1 1.0 HA2 B:GLY190 3.2 37.4 1.0 HG23 B:THR191 3.2 42.8 1.0 N B:LEU156 3.3 35.1 1.0 H B:THR191 3.3 38.4 1.0 HG1 B:THR191 3.3 43.1 1.0 HD2 B:TYR194 3.3 43.6 1.0 N B:THR191 3.6 32.0 1.0 HG22 B:THR191 3.6 42.8 1.0 HB2 B:LEU156 3.7 40.5 1.0 CG2 B:THR191 3.7 35.6 1.0 NE B:ARG155 3.7 45.8 1.0 NH2 B:ARG155 3.8 51.8 1.0 CA B:ARG155 3.8 31.5 1.0 HB3 B:ARG155 3.9 39.9 1.0 HB2 B:TYR194 3.9 38.7 1.0 CB B:THR191 3.9 39.1 1.0 C B:GLY190 3.9 32.6 1.0 CA B:GLY190 4.0 31.1 1.0 CD2 B:TYR194 4.0 36.3 1.0 C B:ARG155 4.1 32.8 1.0 HB3 B:ASN157 4.1 37.7 1.0 CA B:LEU156 4.1 35.2 1.0 H B:ASN157 4.2 37.4 1.0 HG B:LEU156 4.2 40.6 1.0 CZ B:ARG155 4.2 50.1 1.0 N B:ASN157 4.3 31.2 1.0 HG2 B:ARG155 4.3 44.1 1.0 CB B:ARG155 4.3 33.2 1.0 CB B:LEU156 4.3 33.8 1.0 C B:LEU156 4.3 31.7 1.0 CA B:THR191 4.3 36.6 1.0 HH22 B:ARG155 4.5 62.2 1.0 O B:VAL154 4.5 33.0 1.0 HA3 B:GLY190 4.5 37.4 1.0 O B:HOH973 4.6 47.0 1.0 HH21 B:ARG188 4.6 41.4 1.0 HE2 B:TYR194 4.6 44.2 1.0 O B:GLY190 4.6 33.3 1.0 HG21 B:THR191 4.6 42.8 1.0 H B:GLY190 4.6 39.5 1.0 CG B:ARG155 4.7 36.8 1.0 CB B:TYR194 4.7 32.2 1.0 CE2 B:TYR194 4.7 36.8 1.0 CG B:TYR194 4.7 35.5 1.0 HD11 B:LEU156 4.7 36.7 1.0 CG B:LEU156 4.7 33.8 1.0 HB B:THR191 4.8 47.0 1.0 HA B:ASN157 4.8 41.5 1.0 CD B:ARG155 4.8 47.2 1.0 N B:GLY190 4.9 32.9 1.0 CB B:ASN157 4.9 31.4 1.0 CA B:ASN157 4.9 34.6 1.0

Chlorine binding site 3 out of 6 in the Metagenomic Derived PL6 Alginate Lyase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Metagenomic Derived PL6 Alginate Lyase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl806 b:81.1 occ:1.00 O B:HOH1049 2.4 41.2 1.0 O B:HOH1099 2.5 45.0 1.0 O B:HOH956 3.2 39.6 1.0 O B:HOH977 3.2 42.6 1.0 O B:HOH1059 3.3 38.3 1.0 HB3 B:ARG286 3.7 47.1 1.0 HD3 B:ARG286 3.8 49.1 1.0 OE1 B:GLN666 4.0 35.1 1.0 O B:THR633 4.0 33.0 1.0 O B:HOH971 4.1 41.8 1.0 HA B:PHE634 4.2 53.0 1.0 HD1 B:PHE634 4.2 60.8 1.0 HE2 B:PHE285 4.4 51.8 1.0 HH11 B:ARG286 4.5 54.3 1.0 CB B:ARG286 4.5 39.3 1.0 HB2 B:ARG286 4.5 47.1 1.0 O B:HOH1080 4.6 46.7 1.0 O B:PHE285 4.6 40.2 1.0 CD B:ARG286 4.7 40.9 1.0 CE2 B:PHE285 4.7 43.2 1.0 H B:GLY288 4.7 44.1 1.0 H B:PHE287 4.8 40.5 1.0 HD2 B:ARG286 4.8 49.1 1.0 CD1 B:PHE634 5.0 50.7 1.0

Chlorine binding site 4 out of 6 in the Metagenomic Derived PL6 Alginate Lyase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Metagenomic Derived PL6 Alginate Lyase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl807 b:96.5 occ:1.00 HE1 B:HIS134 3.4 51.0 1.0 CE1 B:TYR165 4.1 40.0 1.0 CZ B:TYR165 4.1 39.0 1.0 CE1 B:HIS134 4.2 42.5 1.0 CD1 B:TYR165 4.3 37.2 1.0 CE2 B:TYR165 4.3 43.8 1.0 HE1 B:TYR165 4.3 48.0 1.0 CG B:TYR165 4.5 38.5 1.0 CD2 B:TYR165 4.5 35.0 1.0 OH B:TYR165 4.5 45.5 1.0 HE2 B:HIS134 4.6 53.9 1.0 HD1 B:TYR165 4.6 44.7 1.0 HE2 B:TYR165 4.7 52.5 1.0 NE2 B:HIS134 4.8 44.9 1.0 HH B:TYR165 4.9 54.6 1.0 HD2 B:TYR165 5.0 42.0 1.0

Chlorine binding site 5 out of 6 in the Metagenomic Derived PL6 Alginate Lyase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Metagenomic Derived PL6 Alginate Lyase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl804 b:49.8 occ:1.00 H C:LEU156 2.3 61.4 1.0 HH11 C:ARG155 2.5 72.7 1.0 HA C:ARG155 2.9 54.8 1.0 HG23 C:THR191 3.0 56.2 1.0 N C:LEU156 3.1 51.1 1.0 HA2 C:GLY190 3.2 58.1 1.0 OG1 C:THR191 3.2 52.6 1.0 HD2 C:ARG155 3.2 66.7 1.0 O C:HOH985 3.2 45.5 1.0 NH1 C:ARG155 3.3 60.5 1.0 HD2 C:TYR194 3.4 67.7 1.0 H C:THR191 3.4 63.4 1.0 HH12 C:ARG155 3.4 72.7 1.0 HG22 C:THR191 3.6 56.2 1.0 HB2 C:LEU156 3.6 59.5 1.0 CG2 C:THR191 3.6 46.8 1.0 N C:THR191 3.7 52.9 1.0 CA C:ARG155 3.7 45.7 1.0 HG1 C:THR191 3.8 63.2 1.0 CB C:THR191 3.9 56.7 1.0 C C:ARG155 3.9 45.9 1.0 C C:GLY190 3.9 50.7 1.0 HB3 C:ARG155 3.9 58.8 1.0 HB2 C:TYR194 4.0 62.8 1.0 CA C:GLY190 4.0 48.4 1.0 HG C:LEU156 4.0 57.0 1.0 CA C:LEU156 4.0 49.3 1.0 CD2 C:TYR194 4.0 56.4 1.0 H C:ASN157 4.1 66.8 1.0 CB C:LEU156 4.1 49.5 1.0 CD C:ARG155 4.2 55.5 1.0 N C:ASN157 4.2 55.7 1.0 HB3 C:ASN157 4.2 72.1 1.0 C C:LEU156 4.2 53.6 1.0 CB C:ARG155 4.3 49.0 1.0 O C:VAL154 4.3 46.6 1.0 CZ C:ARG155 4.4 57.4 1.0 HD12 C:LEU156 4.4 57.3 1.0 CA C:THR191 4.4 55.8 1.0 HG21 C:THR191 4.5 56.2 1.0 CG C:LEU156 4.5 47.5 1.0 HA3 C:GLY190 4.6 58.1 1.0 HE2 C:TYR194 4.6 67.0 1.0 H C:GLY190 4.6 55.5 1.0 O C:GLY190 4.6 48.6 1.0 HH21 C:ARG188 4.7 50.8 1.0 HD3 C:ARG155 4.7 66.7 1.0 CE2 C:TYR194 4.7 55.9 1.0 NE C:ARG155 4.7 55.7 1.0 CG C:TYR194 4.7 57.9 1.0 HB C:THR191 4.8 68.1 1.0 CB C:TYR194 4.8 52.3 1.0 CG C:ARG155 4.8 45.5 1.0 N C:ARG155 4.9 44.0 1.0 HA C:LEU156 4.9 59.2 1.0 HA C:ASN157 4.9 71.5 1.0 N C:GLY190 4.9 46.2 1.0 O C:LEU156 5.0 55.6 1.0 CA C:ASN157 5.0 59.5 1.0 CD1 C:LEU156 5.0 47.7 1.0 CB C:ASN157 5.0 60.0 1.0

Chlorine binding site 6 out of 6 in the Metagenomic Derived PL6 Alginate Lyase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Metagenomic Derived PL6 Alginate Lyase within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl805 b:101.8 occ:1.00 HE1 C:TYR233 3.6 51.7 1.0 OD1 C:ASN257 3.7 44.7 1.0 HD21 C:ASN257 3.8 61.1 1.0 HB3 C:PHE255 3.9 53.8 1.0 CD1 C:PHE255 4.1 48.1 1.0 HD1 C:PHE255 4.2 57.8 1.0 CG C:PHE255 4.2 41.2 1.0 HH C:TYR233 4.4 60.6 1.0 CE1 C:PHE255 4.4 47.5 1.0 ND2 C:ASN257 4.5 50.9 1.0 CE1 C:TYR233 4.5 43.0 1.0 CG C:ASN257 4.5 49.6 1.0 CB C:PHE255 4.6 44.8 1.0 CD2 C:PHE255 4.7 49.3 1.0 HE1 C:PHE255 4.7 57.0 1.0 HH12 C:ARG393 4.8 61.5 1.0 CZ C:PHE255 4.9 46.6 1.0 NH1 C:ARG393 4.9 51.2 1.0 HH11 C:ARG393 4.9 61.5 1.0 HD3 C:ARG393 5.0 60.0 1.0 CE2 C:PHE255 5.0 47.3 1.0

E.F.Angen, C.Wilkens. Metagenomic Derived PL6 Alginate Lyase To Be Published.