Chlorine in PDB 1sw5: Crystal Structure of Prox From Archeoglobus Fulgidus in the Ligand Free Form

The structure of Crystal Structure of Prox From Archeoglobus Fulgidus in the Ligand Free Form, PDB code: 1sw5 was solved by A.Schiefner, G.Holtmann, K.Diederichs, W.Welte, E.Bremer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	161.500, 56.500, 116.100, 90.00, 110.60, 90.00
R / Rfree (%)	18.6 / 21.4

The structure of Crystal Structure of Prox From Archeoglobus Fulgidus in the Ligand Free Form also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Prox From Archeoglobus Fulgidus in the Ligand Free Form (pdb code 1sw5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of Prox From Archeoglobus Fulgidus in the Ligand Free Form, PDB code: 1sw5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the Crystal Structure of Prox From Archeoglobus Fulgidus in the Ligand Free Form


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 Prox From Archeoglobus Fulgidus in the Ligand Free Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:15.2 occ:1.00 N A:LEU46 3.3 6.6 1.0 N A:VAL47 3.4 4.8 1.0 CA A:GLY44 3.5 6.9 1.0 C A:GLY44 3.5 6.7 1.0 N A:THR45 3.6 6.5 1.0 CG2 A:VAL47 3.7 6.4 1.0 N A:GLY44 3.8 7.3 1.0 CB A:LEU46 3.9 5.2 1.0 CA A:LEU46 3.9 5.6 1.0 O A:GLY44 4.0 5.9 1.0 C A:LEU46 4.1 5.1 1.0 C A:THR45 4.2 6.6 1.0 CB A:VAL47 4.3 5.0 1.0 CA A:VAL47 4.4 4.9 1.0 CA A:THR45 4.4 6.2 1.0 O A:HOH411 4.5 11.0 1.0 CG A:LEU46 4.9 7.3 1.0 CB A:THR45 5.0 6.5 1.0

Chlorine binding site 2 out of 8 in the Crystal Structure of Prox From Archeoglobus Fulgidus in the Ligand Free Form


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 Prox From Archeoglobus Fulgidus in the Ligand Free Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:22.7 occ:1.00 OH A:TYR214 3.2 8.1 1.0 ND2 A:ASN69 3.4 13.4 1.0 CE1 A:TYR214 3.8 8.9 1.0 CB A:ASN69 3.8 6.9 1.0 CZ A:TYR214 4.0 10.1 1.0 CG2 A:VAL70 4.0 8.4 1.0 O A:GLY65 4.1 6.2 1.0 CA A:THR66 4.1 6.0 1.0 CG A:ASN69 4.1 11.4 1.0 C A:GLY65 4.5 5.7 1.0 OG1 A:THR66 4.5 6.3 1.0 N A:THR66 4.5 5.5 1.0 CB A:THR66 4.8 7.0 1.0 CG2 A:THR66 4.9 8.0 1.0

Chlorine binding site 3 out of 8 in the Crystal Structure of Prox From Archeoglobus Fulgidus in the Ligand Free Form


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 Prox From Archeoglobus Fulgidus in the Ligand Free Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:20.2 occ:1.00 N B:GLN75 3.2 11.7 1.0 NZ B:LYS74 3.2 23.1 1.0 N A:GLN75 3.3 12.6 1.0 CA A:LYS74 3.6 13.1 1.0 CB B:LYS74 3.6 11.4 1.0 CA B:LYS74 3.7 11.4 1.0 CB A:LYS74 3.8 13.4 1.0 CE A:LYS74 3.8 26.0 1.0 CG B:LYS74 3.8 15.6 1.0 C B:LYS74 4.0 11.0 1.0 C A:LYS74 4.0 12.4 1.0 CG A:GLN75 4.0 15.3 1.0 CG B:GLN75 4.0 12.7 1.0 CB B:GLN75 4.0 13.0 1.0 CB A:GLN75 4.0 14.9 1.0 CG A:LYS74 4.1 15.9 1.0 CA B:GLN75 4.2 12.4 1.0 CA A:GLN75 4.3 13.9 1.0 CE B:LYS74 4.4 23.3 1.0 CD A:LYS74 4.6 21.8 1.0 CD B:LYS74 4.6 18.3 1.0 O B:GLN75 4.8 14.3 1.0 NZ A:LYS74 4.9 30.2 1.0 N A:LYS74 4.9 12.1 1.0 O A:GLN75 4.9 13.3 1.0 O A:ARG73 5.0 13.6 1.0

Chlorine binding site 4 out of 8 in the Crystal Structure of Prox From Archeoglobus Fulgidus in the Ligand Free Form


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 Prox From Archeoglobus Fulgidus in the Ligand Free Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl406 b:22.7 occ:1.00 OH B:TYR214 3.1 9.6 1.0 OD1 B:ASN69 3.3 15.2 1.0 CB B:ASN69 3.7 9.4 1.0 CE1 B:TYR214 3.8 9.0 1.0 CZ B:TYR214 3.9 9.3 1.0 CG B:ASN69 4.0 11.3 1.0 O B:GLY65 4.0 6.7 1.0 CG2 B:VAL70 4.0 10.6 1.0 CA B:THR66 4.0 6.4 1.0 C B:GLY65 4.3 6.2 1.0 N B:THR66 4.4 6.0 1.0 OG1 B:THR66 4.5 8.5 1.0 CB B:THR66 4.8 6.8 1.0 CG2 B:THR66 5.0 7.4 1.0

Chlorine binding site 5 out of 8 in the Crystal Structure of Prox From Archeoglobus Fulgidus in the Ligand Free Form


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 Prox From Archeoglobus Fulgidus in the Ligand Free Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl404 b:16.3 occ:1.00 N C:VAL47 3.3 9.2 1.0 N C:LEU46 3.3 9.3 1.0 C C:GLY44 3.4 9.6 1.0 CA C:GLY44 3.4 10.4 1.0 N C:THR45 3.6 9.6 1.0 CG2 C:VAL47 3.7 9.9 1.0 N C:GLY44 3.7 10.5 1.0 O C:GLY44 3.9 10.1 1.0 CA C:LEU46 3.9 8.8 1.0 CB C:LEU46 4.0 8.8 1.0 C C:LEU46 4.0 9.3 1.0 CB C:VAL47 4.2 8.4 1.0 C C:THR45 4.3 9.2 1.0 CA C:VAL47 4.3 9.1 1.0 CA C:THR45 4.5 9.2 1.0 CG C:LEU46 4.9 9.9 1.0 C C:GLY43 4.9 10.5 1.0

Chlorine binding site 6 out of 8 in the Crystal Structure of Prox From Archeoglobus Fulgidus in the Ligand Free Form


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 Prox From Archeoglobus Fulgidus in the Ligand Free Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl407 b:23.8 occ:1.00 O C:HOH446 2.8 28.1 1.0 OH C:TYR214 3.1 12.8 1.0 ND2 C:ASN69 3.4 13.2 1.0 CE1 C:TYR214 3.7 14.1 1.0 CB C:ASN69 3.8 9.8 1.0 CZ C:TYR214 3.9 14.1 1.0 CG2 C:VAL70 4.1 9.6 1.0 CG C:ASN69 4.1 11.7 1.0 CA C:THR66 4.1 9.5 1.0 O C:GLY65 4.3 9.3 1.0 OG1 C:THR66 4.5 11.6 1.0 N C:THR66 4.5 7.9 1.0 C C:GLY65 4.6 9.2 1.0 CB C:THR66 4.8 9.5 1.0 CD1 C:TYR214 5.0 13.7 1.0

Chlorine binding site 7 out of 8 in the Crystal Structure of Prox From Archeoglobus Fulgidus in the Ligand Free Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Prox From Archeoglobus Fulgidus in the Ligand Free Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl402 b:22.7 occ:1.00 NZ D:LYS74 3.0 15.6 1.0 N D:GLN75 3.2 14.5 1.0 CB D:LYS74 3.5 13.2 1.0 CA D:LYS74 3.6 13.8 1.0 CG D:LYS74 3.7 13.6 1.0 C D:LYS74 3.9 13.6 1.0 CE D:LYS74 3.9 13.6 1.0 CG D:GLN75 4.1 16.9 1.0 CB D:GLN75 4.1 15.7 1.0 CA D:GLN75 4.2 15.9 1.0 CD D:LYS74 4.4 13.7 1.0 O D:HOH442 4.6 33.5 1.0 O D:GLN75 4.7 17.2 1.0 OH D:TYR68 4.8 13.8 1.0 C D:GLN75 4.9 16.9 1.0 N D:LYS74 4.9 13.6 1.0

Chlorine binding site 8 out of 8 in the Crystal Structure of Prox From Archeoglobus Fulgidus in the Ligand Free Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of Prox From Archeoglobus Fulgidus in the Ligand Free Form within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl408 b:27.0 occ:1.00 OH D:TYR214 3.1 11.8 1.0 ND2 D:ASN69 3.3 16.2 1.0 CB D:ASN69 3.7 12.8 1.0 CE1 D:TYR214 3.7 13.8 1.0 CZ D:TYR214 3.9 12.5 1.0 CG D:ASN69 4.0 14.9 1.0 CG2 D:VAL70 4.0 13.2 1.0 O D:GLY65 4.1 8.6 1.0 CA D:THR66 4.2 9.2 1.0 OG1 D:THR66 4.4 10.6 1.0 C D:GLY65 4.5 8.7 1.0 N D:THR66 4.5 9.3 1.0 CB D:THR66 4.8 10.4 1.0

A.Schiefner, G.Holtmann, K.Diederichs, W.Welte, E.Bremer. Structural Basis For the Binding of Compatible Solutes By Prox From the Hyperthermophilic Archaeon Archaeoglobus Fulgidus. J.Biol.Chem. V. 279 48270 2004.
ISSN: ISSN 0021-9258
PubMed: 15308642
DOI: 10.1074/JBC.M403540200