Chlorine in PDB 8pc3: Crystal Structure of Paradendryphiella Salina PL7C Alginate Lyase in Complex with Pentamannuronic Acid

The structure of Crystal Structure of Paradendryphiella Salina PL7C Alginate Lyase in Complex with Pentamannuronic Acid, PDB code: 8pc3 was solved by C.Wilknes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.90 / 1.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.87, 59.76, 89.16, 90, 90, 90
R / Rfree (%)	15.1 / 16.3

The binding sites of Chlorine atom in the Crystal Structure of Paradendryphiella Salina PL7C Alginate Lyase in Complex with Pentamannuronic Acid (pdb code 8pc3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Paradendryphiella Salina PL7C Alginate Lyase in Complex with Pentamannuronic Acid, PDB code: 8pc3:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Paradendryphiella Salina PL7C Alginate Lyase in Complex with Pentamannuronic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Paradendryphiella Salina PL7C Alginate Lyase in Complex with Pentamannuronic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:70.3 occ:1.00 O A:ASP62 3.2 15.2 1.0 HB3 A:ASP62 3.2 17.8 0.6 O A:HOH460 3.2 21.8 1.0 O A:HOH599 3.4 29.4 1.0 HA A:ASP62 3.8 16.4 0.0 C A:ASP62 4.0 14.1 1.0 CB A:ASP62 4.0 14.8 1.0 CA A:ASP62 4.2 13.7 1.0 HD2 A:LYS64 4.3 18.9 0.4 OD1 A:ASP62 4.7 13.8 1.0 HB2 A:ASP62 4.7 17.8 0.6 CG A:ASP62 4.7 14.7 1.0 HG3 A:LYS64 4.9 20.3 0.4

Chlorine binding site 2 out of 4 in the Crystal Structure of Paradendryphiella Salina PL7C Alginate Lyase in Complex with Pentamannuronic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Paradendryphiella Salina PL7C Alginate Lyase in Complex with Pentamannuronic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:60.5 occ:1.00 O A:HOH544 2.3 16.1 1.0 O A:HOH487 2.4 16.4 1.0 HA A:GLN111 2.7 16.1 0.8 HB3 A:ARG232 2.8 13.6 1.0 O A:GLU110 2.9 13.4 0.6 O A:GLU110 3.1 15.2 0.4 HG2 A:PRO109 3.1 19.5 0.4 HE A:ARG232 3.2 14.7 0.7 HG2 A:PRO109 3.3 19.9 0.6 O A:HOH585 3.4 19.7 1.0 H A:VAL112 3.5 17.3 0.5 HG12 A:VAL112 3.5 20.5 1.0 HE21 A:GLN111 3.5 13.9 1.0 CB A:ARG232 3.6 11.3 1.0 CA A:GLN111 3.7 13.4 1.0 HB2 A:ARG232 3.7 13.6 1.0 HB2 A:PRO109 3.7 18.1 0.6 NE2 A:GLN111 3.7 11.6 1.0 OE1 A:GLN111 3.8 12.5 1.0 HB2 A:PRO109 3.8 18.0 0.4 CD A:GLN111 3.8 12.1 1.0 C A:GLU110 3.9 13.0 0.6 NE A:ARG232 3.9 12.2 1.0 HH21 A:ARG232 3.9 17.0 0.0 HG11 A:VAL112 3.9 20.5 1.0 H A:ARG232 3.9 12.8 1.0 C A:GLU110 3.9 13.3 0.4 CG A:PRO109 4.0 16.3 0.4 N A:VAL112 4.0 14.4 1.0 O A:HOH570 4.1 14.3 1.0 CG A:PRO109 4.2 16.6 0.6 CG1 A:VAL112 4.2 17.1 1.0 HG3 A:PRO109 4.2 19.5 0.4 HE22 A:GLN111 4.2 13.9 1.0 N A:GLN111 4.2 14.1 1.0 N A:ARG232 4.3 10.7 1.0 C A:GLN111 4.3 14.8 1.0 O A:ARG232 4.3 10.9 1.0 O A:THR230 4.4 12.4 1.0 CB A:PRO109 4.4 15.0 0.4 CB A:PRO109 4.4 15.1 0.6 CA A:ARG232 4.5 11.1 1.0 HG3 A:PRO109 4.5 19.9 0.6 NH2 A:ARG232 4.5 14.2 1.0 HD3 A:ARG232 4.6 15.0 1.0 CZ A:ARG232 4.6 12.4 1.0 CD A:ARG232 4.6 12.5 1.0 CB A:GLN111 4.6 14.3 1.0 CG A:ARG232 4.6 11.6 1.0 HA A:ALA231 4.6 13.2 1.0 HB3 A:GLN111 4.7 17.1 0.9 CG A:GLN111 4.8 13.3 1.0 HG13 A:VAL112 4.8 20.5 0.5 HG2 A:ARG232 4.8 13.9 0.7 C A:ARG232 4.9 10.6 1.0 HG22 A:VAL112 4.9 20.6 0.0 C A:PRO109 4.9 11.4 0.4 O A:PRO109 4.9 12.0 0.4 C A:PRO109 4.9 11.3 0.6 O A:PRO109 4.9 11.9 0.6

Chlorine binding site 3 out of 4 in the Crystal Structure of Paradendryphiella Salina PL7C Alginate Lyase in Complex with Pentamannuronic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Paradendryphiella Salina PL7C Alginate Lyase in Complex with Pentamannuronic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:67.3 occ:1.00 H A:THR18 1.7 29.8 0.0 N A:THR18 2.5 24.8 1.0 HB A:THR18 2.5 41.9 0.4 HG1 A:THR18 2.6 54.6 0.4 O A:LEU60 2.8 13.0 1.0 HD2 A:TYR59 2.8 15.1 0.9 OG1 A:THR18 2.9 45.5 1.0 CB A:THR18 3.0 34.9 1.0 HA A:LEU17 3.1 27.0 0.0 CA A:THR18 3.2 26.9 1.0 O A:HOH461 3.5 17.8 1.0 O A:THR18 3.5 19.0 1.0 CD2 A:TYR59 3.5 12.6 1.0 C A:LEU17 3.6 23.8 1.0 CA A:LEU17 3.7 22.5 1.0 HB2 A:TYR59 3.8 15.3 1.0 C A:THR18 3.8 20.2 1.0 H A:LEU60 3.8 15.0 0.6 HB3 A:LEU60 3.9 16.4 0.0 C A:LEU60 3.9 11.7 1.0 HE2 A:TYR59 3.9 14.5 0.8 HB3 A:LEU17 4.0 27.9 0.6 HA A:THR18 4.1 32.3 1.0 HD22 A:LEU17 4.1 32.6 1.0 CE2 A:TYR59 4.1 12.1 1.0 N A:LEU60 4.3 12.5 1.0 O A:PHE0 4.4 26.2 1.0 CG2 A:THR18 4.4 39.0 1.0 CB A:LEU17 4.5 23.3 1.0 CG A:TYR59 4.5 11.5 1.0 CA A:LEU60 4.5 12.6 1.0 HA A:GLN61 4.6 14.2 0.8 CB A:TYR59 4.6 12.7 1.0 CB A:LEU60 4.6 13.6 1.0 O A:LEU17 4.7 27.2 1.0 HD23 A:LEU17 4.7 32.6 1.0 HG22 A:THR18 4.8 46.9 0.4 HG21 A:THR18 4.8 46.9 0.3 CD2 A:LEU17 4.8 27.2 1.0 N A:LEU17 4.9 27.1 1.0 N A:GLN61 5.0 11.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Paradendryphiella Salina PL7C Alginate Lyase in Complex with Pentamannuronic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Paradendryphiella Salina PL7C Alginate Lyase in Complex with Pentamannuronic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:82.8 occ:1.00 HB3 A:MET121 2.6 11.3 1.0 O A:LYS216 2.8 9.5 1.0 HE2 A:MET121 2.8 16.1 0.9 HB3 A:PHE215 3.0 13.0 0.8 HD12 A:ILE182 3.0 14.2 1.0 HE3 A:MET121 3.0 16.1 0.8 H A:GLN122 3.1 11.5 0.8 HZ3 A:TRP240 3.2 14.4 1.0 HD1 A:PHE215 3.2 13.4 0.8 O A:GLN122 3.2 10.0 1.0 H A:LYS216 3.2 12.2 1.0 HB2 A:ALA102 3.4 13.7 0.7 CE A:MET121 3.4 13.4 1.0 HB1 A:ALA102 3.4 13.7 1.0 CB A:MET121 3.6 9.4 1.0 N A:GLN122 3.7 9.6 1.0 CB A:ALA102 3.7 11.4 1.0 HB3 A:ALA102 3.7 13.7 1.0 CD1 A:PHE215 3.7 11.2 1.0 CD1 A:ILE182 3.7 11.9 1.0 HB3 A:ALA217 3.7 12.0 1.0 HD11 A:ILE182 3.7 14.2 0.7 CB A:PHE215 3.8 10.8 1.0 HA A:MET121 3.8 11.0 1.0 N A:LYS216 3.8 10.1 1.0 C A:LYS216 3.8 9.0 1.0 HG2 A:MET121 3.9 11.7 0.8 HD13 A:ILE182 4.0 14.2 0.8 CZ3 A:TRP240 4.0 12.0 1.0 HA A:PHE215 4.0 12.1 1.0 CG A:PHE215 4.0 10.6 1.0 C A:GLN122 4.0 9.8 1.0 CA A:MET121 4.1 9.2 1.0 HE1 A:MET121 4.1 16.1 1.0 CG A:MET121 4.1 9.7 1.0 HB2 A:MET121 4.2 11.3 0.9 C A:MET121 4.3 9.1 1.0 CA A:PHE215 4.3 10.0 1.0 SD A:MET121 4.4 11.6 1.0 CA A:GLN122 4.5 9.8 1.0 CA A:LYS216 4.5 10.1 1.0 HH2 A:TRP240 4.5 14.6 0.5 C A:PHE215 4.5 10.0 1.0 HB2 A:PHE215 4.5 13.0 1.0 CE1 A:PHE215 4.6 11.8 1.0 CB A:ALA217 4.7 10.0 1.0 HE3 A:TRP240 4.7 15.9 1.0 CH2 A:TRP240 4.7 12.1 1.0 HE1 A:PHE215 4.7 14.2 1.0 CE3 A:TRP240 4.8 13.2 1.0 N A:ALA217 4.8 9.5 1.0 HD11 A:LEU238 4.8 14.1 0.9 HB A:ILE182 4.8 12.3 0.8 HA A:ALA217 4.8 11.1 0.7 CG1 A:ILE182 5.0 12.8 1.0

C.Wilknes, C.Wilknes. N/A N/A.