Chlorine in PDB 4odm: Structure of Slyd From Thermus Thermophilus in Complex with S2-W23A Peptide

All present enzymatic activity of Structure of Slyd From Thermus Thermophilus in Complex with S2-W23A Peptide:
5.2.1.8;

The structure of Structure of Slyd From Thermus Thermophilus in Complex with S2-W23A Peptide, PDB code: 4odm was solved by E.M.Quistgaard, C.Low, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.11 / 1.75
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	184.120, 41.200, 131.520, 90.00, 123.13, 90.00
R / Rfree (%)	17.6 / 20.8

The binding sites of Chlorine atom in the Structure of Slyd From Thermus Thermophilus in Complex with S2-W23A Peptide (pdb code 4odm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Slyd From Thermus Thermophilus in Complex with S2-W23A Peptide, PDB code: 4odm:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Slyd From Thermus Thermophilus in Complex with S2-W23A Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Slyd From Thermus Thermophilus in Complex with S2-W23A Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:34.9 occ:1.00 O A:HOH398 3.0 47.1 1.0 N A:LEU30 3.2 18.4 1.0 N A:ALA148 3.2 23.1 1.0 NZ E:LYS28 3.3 47.2 1.0 ND2 A:ASN35 3.5 27.9 1.0 CA A:TYR29 3.5 17.3 1.0 CA A:HIS147 3.6 23.8 1.0 CG A:ASN35 3.7 23.7 1.0 CB A:ASN35 3.8 20.2 1.0 O A:HOH354 3.8 43.5 1.0 C A:TYR29 3.8 21.4 1.0 CB A:HIS147 3.9 32.7 1.0 C A:HIS147 3.9 20.0 1.0 CB A:TYR29 4.0 16.5 1.0 CB A:ALA148 4.1 24.6 1.0 CE E:LYS28 4.1 40.3 1.0 CB A:LEU30 4.1 17.6 1.0 CA A:LEU30 4.2 17.3 1.0 CA A:ALA148 4.3 21.5 1.0 ND1 A:HIS147 4.3 48.0 1.0 OD1 A:ASN35 4.3 29.8 1.0 CD E:LYS28 4.4 32.9 1.0 O A:SER28 4.4 22.9 1.0 CG A:HIS147 4.6 43.8 1.0 N A:TYR29 4.7 17.5 1.0 O A:LEU30 4.8 18.3 1.0 O A:GLY146 4.8 23.4 1.0 N A:HIS147 4.9 21.5 1.0 O A:ALA148 5.0 30.5 1.0

Chlorine binding site 2 out of 4 in the Structure of Slyd From Thermus Thermophilus in Complex with S2-W23A Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Slyd From Thermus Thermophilus in Complex with S2-W23A Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:43.3 occ:1.00 N B:ALA148 3.2 26.5 1.0 N B:LEU30 3.3 23.0 1.0 CA B:TYR29 3.4 19.8 1.0 CB B:HIS147 3.5 24.1 0.5 CA B:HIS147 3.6 26.2 0.5 CA B:HIS147 3.7 26.2 0.5 ND2 B:ASN35 3.7 36.3 1.0 O G:HOH103 3.7 53.4 1.0 CG B:ASN35 3.7 31.4 1.0 CB B:HIS147 3.8 25.7 0.5 CB B:ASN35 3.8 26.4 1.0 NZ G:LYS28 3.8 42.0 1.0 C B:TYR29 3.8 21.1 1.0 C B:HIS147 3.9 23.6 1.0 CB B:ALA148 3.9 29.7 1.0 CB B:TYR29 4.0 20.4 1.0 CA B:ALA148 4.1 27.6 1.0 O B:SER28 4.2 28.0 1.0 ND1 B:HIS147 4.2 27.7 0.5 OD1 B:ASN35 4.3 39.0 1.0 CB B:LEU30 4.3 22.4 1.0 CA B:LEU30 4.4 25.3 1.0 CE G:LYS28 4.4 37.6 1.0 CG B:HIS147 4.5 23.0 0.5 N B:TYR29 4.6 21.6 1.0 O B:ALA148 4.7 29.7 1.0 C B:SER28 4.8 21.6 1.0 CD G:LYS28 4.8 34.0 1.0 CG B:HIS147 4.8 25.8 0.5 O B:GLY146 4.9 26.3 1.0 O B:HOH340 5.0 46.5 1.0 C B:ALA148 5.0 32.9 1.0 N B:HIS147 5.0 27.1 1.0

Chlorine binding site 3 out of 4 in the Structure of Slyd From Thermus Thermophilus in Complex with S2-W23A Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Slyd From Thermus Thermophilus in Complex with S2-W23A Peptide within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:39.9 occ:1.00 N C:ALA148 3.1 19.9 1.0 N C:LEU30 3.2 18.0 1.0 CA C:TYR29 3.5 15.0 1.0 O I:HOH104 3.5 48.9 1.0 CA C:HIS147 3.5 19.4 1.0 NZ I:LYS28 3.6 37.8 1.0 ND2 C:ASN35 3.7 29.8 1.0 CG C:ASN35 3.7 27.8 1.0 CB C:HIS147 3.7 29.5 1.0 C C:TYR29 3.8 17.2 1.0 CB C:ASN35 3.8 22.0 1.0 C C:HIS147 3.8 21.9 1.0 CD2 C:HIS147 4.0 27.2 1.0 CB C:ALA148 4.0 25.3 1.0 CB C:TYR29 4.0 16.0 1.0 CB C:LEU30 4.1 14.3 1.0 CA C:ALA148 4.2 19.2 1.0 OD1 C:ASN35 4.2 32.8 1.0 CG C:HIS147 4.2 33.6 1.0 CA C:LEU30 4.2 14.6 1.0 O C:SER28 4.3 20.3 1.0 N C:TYR29 4.6 15.6 1.0 O C:ALA148 4.6 29.7 1.0 CE I:LYS28 4.7 35.3 1.0 O C:GLY146 4.8 22.4 1.0 C C:SER28 4.9 16.2 1.0 N C:HIS147 4.9 21.3 1.0 CD I:LYS28 4.9 36.2 1.0 O C:LEU30 4.9 16.0 1.0 C C:ALA148 4.9 25.7 1.0 O C:TYR29 5.0 16.2 1.0

Chlorine binding site 4 out of 4 in the Structure of Slyd From Thermus Thermophilus in Complex with S2-W23A Peptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Slyd From Thermus Thermophilus in Complex with S2-W23A Peptide within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:35.2 occ:1.00 O D:HOH352 3.1 48.3 1.0 N D:ALA148 3.2 24.1 1.0 N D:LEU30 3.2 19.6 1.0 CA D:TYR29 3.5 23.2 1.0 O D:HOH415 3.5 48.3 1.0 ND2 D:ASN35 3.6 30.0 1.0 CG D:ASN35 3.6 26.3 1.0 CB D:ASN35 3.7 21.0 1.0 CA D:HIS147 3.7 21.2 0.5 CA D:HIS147 3.7 27.3 0.5 CB D:HIS147 3.8 27.3 0.5 C D:TYR29 3.9 22.4 1.0 CB D:HIS147 3.9 27.5 0.5 CB D:ALA148 3.9 25.2 1.0 C D:HIS147 4.0 25.2 1.0 CB D:TYR29 4.0 19.5 1.0 CE K:LYS28 4.1 34.7 1.0 CA D:ALA148 4.1 29.1 1.0 CB D:LEU30 4.2 20.6 1.0 OD1 D:ASN35 4.3 32.5 1.0 CA D:LEU30 4.3 20.1 1.0 NZ K:LYS28 4.3 45.2 1.0 O D:SER28 4.4 23.5 1.0 ND1 D:HIS147 4.4 26.0 0.5 O D:HOH365 4.5 43.2 1.0 CD K:LYS28 4.6 31.6 1.0 CG D:HIS147 4.7 27.9 0.5 N D:TYR29 4.7 19.3 1.0 O D:ALA148 4.8 30.8 1.0 O D:LEU30 4.9 20.4 1.0 O D:GLY146 5.0 24.9 1.0 C D:SER28 5.0 22.6 1.0

E.M.Quistgaard, C.Low, P.Nordlund. Structure of Slyd From Thermus Thermophilus in Complex with S2-W23A Peptide To Be Published.