Chlorine in PDB 6pt4: Crystal Structure of Apo PSS1_NC

The structure of Crystal Structure of Apo PSS1_NC, PDB code: 6pt4 was solved by A.G.Hettle, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.10 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.470, 102.091, 170.780, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 16

The structure of Crystal Structure of Apo PSS1_NC also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Apo PSS1_NC (pdb code 6pt4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Apo PSS1_NC, PDB code: 6pt4:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of Apo PSS1_NC


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 Apo PSS1_NC within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl605 b:8.5 occ:1.00 OG1 B:THR208 3.1 7.3 1.0 O B:HOH1094 3.1 10.7 1.0 O B:HOH1032 3.2 10.1 1.0 NE2 B:GLN237 3.3 8.0 1.0 N B:THR208 3.4 7.5 1.0 CB B:THR206 3.6 8.4 1.0 CG B:GLN237 3.8 7.3 1.0 CB B:THR208 3.8 7.8 1.0 C2 B:EDO603 3.8 18.7 1.0 CE B:MET305 3.8 12.7 1.0 N B:VAL207 3.8 8.2 1.0 CD B:GLN237 4.1 7.8 1.0 CB B:VAL207 4.1 8.1 1.0 CG2 B:THR206 4.1 8.3 1.0 CA B:THR208 4.2 7.4 1.0 OG1 B:THR206 4.2 8.3 1.0 C B:VAL207 4.3 8.2 1.0 CA B:VAL207 4.3 8.2 1.0 O B:HOH937 4.4 7.7 1.0 CA B:THR206 4.5 8.8 1.0 C B:THR206 4.5 7.9 1.0 C1 B:EDO603 4.5 18.6 1.0 CG1 B:VAL207 4.9 9.0 1.0 CD1 B:LEU199 4.9 10.0 1.0 CG2 B:VAL207 4.9 8.6 1.0 O2 B:EDO603 5.0 21.1 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of Apo PSS1_NC


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 Apo PSS1_NC within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl606 b:16.3 occ:1.00 NZ B:LYS406 3.2 19.5 1.0 O B:HOH1047 3.3 14.2 1.0 NE2 B:GLN386 3.3 9.3 1.0 CG B:PRO403 3.7 7.3 1.0 CE B:LYS406 3.7 15.7 1.0 CD B:PRO403 3.8 7.3 1.0 CD B:LYS406 3.9 13.8 1.0 CB B:LEU402 3.9 7.6 1.0 N B:PRO403 4.0 7.0 1.0 C B:LEU402 4.3 6.8 1.0 CD B:GLN386 4.3 9.2 1.0 CA B:PRO403 4.3 7.0 1.0 O B:HOH773 4.3 20.1 1.0 OE1 B:GLN386 4.3 8.7 1.0 CB B:PRO403 4.6 7.4 1.0 O B:HOH1070 4.6 25.8 1.0 O B:LEU402 4.7 7.4 1.0 CA B:LEU402 4.7 7.0 1.0 CG B:LEU402 5.0 8.9 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of Apo PSS1_NC


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 Apo PSS1_NC within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl607 b:11.2 occ:1.00 ND1 B:HIS341 2.9 7.7 1.0 O B:HOH911 3.0 10.0 1.0 NZ B:LYS270 3.1 6.4 1.0 CD1 B:ILE265 3.6 16.4 1.0 CA B:ARG267 3.7 9.8 1.0 CG B:ARG267 3.7 9.2 1.0 CE B:LYS270 3.8 6.5 1.0 CG B:HIS341 3.8 7.0 1.0 CE1 B:HIS341 3.9 8.4 1.0 CB B:HIS341 3.9 6.3 1.0 CB B:ARG267 3.9 9.2 1.0 CG1 B:ILE265 4.0 15.7 1.0 CG B:LYS270 4.1 6.0 1.0 CA B:HIS341 4.2 5.9 1.0 O B:ILE464 4.2 7.7 1.0 OH B:TYR351 4.3 6.5 1.0 O B:GLU463 4.5 6.5 1.0 N B:LYS268 4.5 8.5 1.0 O B:LYS266 4.5 15.4 1.0 CD B:LYS270 4.5 6.3 1.0 CA B:ILE464 4.5 7.0 1.0 N B:ARG267 4.6 10.9 1.0 C B:ARG267 4.6 9.6 1.0 CD B:ARG267 4.7 9.0 1.0 C B:ILE464 4.8 6.7 1.0 C B:LYS266 4.9 13.8 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of Apo PSS1_NC


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 Apo PSS1_NC within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl610 b:8.8 occ:1.00 OG1 A:THR208 3.0 7.6 1.0 O A:HOH1059 3.1 11.5 1.0 O A:HOH1013 3.2 11.1 1.0 NE2 A:GLN237 3.3 9.2 1.0 N A:THR208 3.4 8.0 1.0 CB A:THR206 3.6 8.7 1.0 CG A:GLN237 3.8 7.8 1.0 C1 A:EDO605 3.8 23.4 1.0 CB A:THR208 3.8 7.6 1.0 CE A:MET305 3.8 11.2 1.0 N A:VAL207 3.9 7.3 1.0 CD A:GLN237 4.1 8.3 1.0 CG2 A:THR206 4.1 9.1 1.0 CB A:VAL207 4.1 7.1 1.0 CA A:THR208 4.2 7.7 1.0 OG1 A:THR206 4.3 8.9 1.0 CA A:VAL207 4.3 7.3 1.0 C A:VAL207 4.3 7.7 1.0 O A:HOH882 4.4 8.4 1.0 C2 A:EDO605 4.4 22.4 1.0 CA A:THR206 4.5 9.0 1.0 C A:THR206 4.5 7.7 1.0 CD1 A:LEU199 4.9 11.5 1.0 O1 A:EDO605 4.9 26.5 1.0 CG1 A:VAL207 5.0 7.8 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of Apo PSS1_NC


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Apo PSS1_NC within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl611 b:16.3 occ:1.00 ND1 A:HIS341 3.0 9.1 1.0 O A:HOH967 3.0 16.6 1.0 NZ A:LYS270 3.1 9.0 1.0 CD1 A:ILE265 3.4 22.1 1.0 CA A:ARG267 3.7 13.6 1.0 CE A:LYS270 3.7 7.9 1.0 CG A:ARG267 3.8 12.4 1.0 CG A:HIS341 3.9 7.3 1.0 CE1 A:HIS341 3.9 8.4 1.0 CB A:HIS341 3.9 7.3 1.0 CG1 A:ILE265 4.1 22.6 1.0 CB A:ARG267 4.1 12.7 1.0 CG A:LYS270 4.2 8.1 1.0 O A:ILE464 4.2 9.6 1.0 CA A:HIS341 4.2 7.1 1.0 O A:LYS266 4.3 17.8 1.0 OH A:TYR351 4.4 7.6 1.0 N A:LYS268 4.4 12.9 1.0 CA A:ILE464 4.5 8.5 1.0 N A:ARG267 4.5 15.0 1.0 O A:GLU463 4.5 8.4 1.0 CD A:LYS270 4.5 8.0 1.0 C A:ARG267 4.6 13.4 1.0 C A:LYS266 4.7 14.9 1.0 C A:ILE464 4.8 8.6 1.0 CD A:ARG267 4.9 11.3 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of Apo PSS1_NC


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Apo PSS1_NC within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl612 b:19.8 occ:1.00 NZ A:LYS406 3.1 18.7 1.0 NE2 A:GLN386 3.3 13.1 1.0 O A:HOH999 3.3 23.9 1.0 CG A:PRO403 3.7 9.9 1.0 CE A:LYS406 3.8 15.5 1.0 CD A:PRO403 3.9 10.1 1.0 CB A:LEU402 3.9 11.1 1.0 CD A:LYS406 3.9 13.8 1.0 N A:PRO403 4.0 9.3 1.0 O A:HOH828 4.2 24.5 1.0 CD A:GLN386 4.2 12.4 1.0 C A:LEU402 4.2 9.4 1.0 OE1 A:GLN386 4.3 12.3 1.0 CA A:PRO403 4.3 8.8 1.0 CB A:PRO403 4.6 9.9 1.0 O A:LEU402 4.7 9.2 1.0 CA A:LEU402 4.7 9.3 1.0 CG A:LEU402 4.9 12.6 1.0

A.G.Hettle, J.K.Hobbs, B.Pluvinage, C.Vickers, K.Abe, O.Salama-Alber, B.Mcguire, J.H.Hehemann, J.P.M.Hui, F.Berrue, A.Banskota, J.Zhang, E.Bottos, J.Van Hamme, A.B.Boraston. The Carrageenan Metabolism Pathway of Marine Pseudoalteromonas Species To Be Published.