Chlorine in PDB 5txu: 1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (Spoiid) From Clostridium Difficile in Apo Conformation

The structure of 1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (Spoiid) From Clostridium Difficile in Apo Conformation, PDB code: 5txu was solved by S.Nocadello, G.Minasov, O.Kiryukhina, L.Shuvalova, W.F.Anderson, Centerfor Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.06 / 1.95
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	98.043, 98.043, 108.241, 90.00, 90.00, 120.00
R / Rfree (%)	15.9 / 18.4

The structure of 1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (Spoiid) From Clostridium Difficile in Apo Conformation also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the 1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (Spoiid) From Clostridium Difficile in Apo Conformation (pdb code 5txu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (Spoiid) From Clostridium Difficile in Apo Conformation, PDB code: 5txu:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (Spoiid) From Clostridium Difficile in Apo Conformation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (Spoiid) From Clostridium Difficile in Apo Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:57.3 occ:0.70 CL A:CL404 0.0 57.3 0.7 CL A:CL404 2.4 51.4 0.3 O A:GLU101 3.2 37.6 1.0 OE1 A:GLN324 3.3 30.0 1.0 CZ A:PHE106 3.4 34.3 0.5 CD A:GLN324 3.9 30.2 1.0 CE1 A:PHE106 4.1 34.4 0.5 CB A:GLN324 4.1 27.6 1.0 CE2 A:PHE106 4.2 33.7 0.5 CA A:MET102 4.3 40.1 1.0 O A:HOH519 4.3 43.7 1.0 C A:GLU101 4.3 38.2 1.0 O2 A:FMT412 4.3 42.6 1.0 NE1 A:TRP325 4.4 30.6 1.0 CE2 A:PHE106 4.4 31.1 0.5 CZ A:PHE106 4.5 31.7 0.5 NE2 A:GLN324 4.5 31.5 1.0 C A:FMT420 4.5 61.1 0.7 CG A:MET102 4.6 37.9 1.0 CG A:GLN324 4.6 28.2 1.0 CD1 A:TRP325 4.6 28.7 1.0 O2 A:FMT416 4.7 77.6 1.0 O1 A:FMT420 4.7 60.8 0.7 N A:MET102 4.8 36.5 1.0 CB A:MET102 4.9 38.8 1.0 O A:HOH558 4.9 56.5 1.0 OG A:SER196 4.9 26.7 1.0

Chlorine binding site 2 out of 2 in the 1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (Spoiid) From Clostridium Difficile in Apo Conformation


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (Spoiid) From Clostridium Difficile in Apo Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:51.4 occ:0.30 CL A:CL404 0.0 51.4 0.3 CL A:CL404 2.4 57.3 0.7 O A:HOH519 3.0 43.7 1.0 CZ A:PHE106 3.4 34.3 0.5 CE1 A:PHE106 3.5 34.4 0.5 O2 A:FMT416 3.9 77.6 1.0 NE1 A:TRP325 4.2 30.6 1.0 O2 A:FMT412 4.3 42.6 1.0 O A:GLU101 4.4 37.6 1.0 C A:FMT416 4.5 80.5 1.0 CZ A:PHE106 4.6 31.7 0.5 N A:SER103 4.6 47.6 1.0 O A:HOH806 4.7 52.0 1.0 CE2 A:PHE106 4.7 33.7 0.5 CD1 A:PHE106 4.8 34.1 0.5 CE2 A:TRP325 4.8 30.7 1.0 CE1 A:PHE106 4.9 32.2 0.5 CZ2 A:TRP325 4.9 31.7 1.0 CA A:MET102 4.9 40.1 1.0

S.Nocadello, G.Minasov, O.Kiryukhina, L.Shuvalova, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.95 Angstrom Resolution Crystal Structure of Stage II Sporulation Protein D (Spoiid) From Clostridium Difficile in Apo Conformation To Be Published.