Chlorine in PDB 3uuw: 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile.

The structure of 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile., PDB code: 3uuw was solved by G.Minasov, Z.Wawrzak, M.Kudritska, S.Grimshaw, L.Papazisi, A.Savchenko, W.F.Anderson, Center For 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)	29.97 / 1.63
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	69.521, 69.535, 83.098, 98.10, 106.97, 115.73
R / Rfree (%)	15.8 / 19.5

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 13;

Binding sites:

The binding sites of Chlorine atom in the 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile. (pdb code 3uuw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 13 binding sites of Chlorine where determined in the 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile., PDB code: 3uuw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 13 in the 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:19.0 occ:1.00 O C:HOH356 3.2 23.9 1.0 N A:ILE260 3.2 15.1 1.0 O A:HOH383 3.2 23.0 1.0 N C:ILE260 3.2 15.7 1.0 CB C:ASN259 3.4 17.2 1.0 CB A:ASN259 3.5 16.4 1.0 CA C:ASN259 3.7 16.1 1.0 CA A:ASN259 3.7 17.0 1.0 CG1 A:ILE260 3.8 15.9 1.0 CG1 C:ILE260 3.8 16.3 1.0 C A:ASN259 3.9 15.2 1.0 C C:ASN259 3.9 17.0 1.0 CG2 C:ILE260 4.0 15.7 1.0 CG2 A:ILE260 4.1 16.6 1.0 CB A:ILE260 4.2 14.2 1.0 O A:HOH374 4.2 31.5 1.0 CA A:ILE260 4.2 13.8 1.0 CB C:ILE260 4.2 15.0 1.0 CA C:ILE260 4.3 15.3 1.0 O C:HOH384 4.3 28.2 1.0 CG C:ASN259 4.5 17.9 1.0 CG A:ASN259 4.5 18.3 1.0 OD1 A:ASN259 4.6 17.4 1.0 OD1 C:ASN259 4.6 19.5 1.0 CD1 A:ILE260 4.7 16.1 1.0 O A:HOH628 4.7 37.9 1.0 CD1 C:ILE260 4.8 16.1 1.0 O C:HOH1052 4.8 37.1 1.0 N C:LEU261 5.0 15.5 1.0 N A:LEU261 5.0 15.8 1.0

Chlorine binding site 2 out of 13 in the 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:31.4 occ:1.00 O A:HOH1197 2.7 42.5 1.0 O A:HOH991 2.8 48.0 1.0 O A:HOH353 3.1 37.7 1.0 N A:TRP257 3.1 18.3 1.0 CA A:GLY255 3.6 17.8 1.0 N A:ALA256 3.6 18.3 1.0 C A:GLY255 3.7 17.6 1.0 CB A:TRP257 3.7 20.3 1.0 CA A:TRP257 3.7 19.0 1.0 C A:TRP257 3.9 18.2 1.0 CG2 A:VAL258 3.9 19.7 1.0 N A:VAL258 3.9 16.8 1.0 C A:ALA256 4.2 19.5 1.0 O A:GLY255 4.2 16.8 1.0 CA A:ALA256 4.4 19.5 1.0 O A:HOH322 4.5 23.8 1.0 CG A:TRP257 4.6 21.2 1.0 CD1 A:TRP257 4.6 25.8 1.0 O A:HOH929 4.6 17.6 0.3 O A:TRP257 4.7 21.5 1.0 O A:HOH929 4.8 36.0 0.7 N A:GLY255 4.8 17.4 1.0 CA A:VAL258 4.9 17.1 1.0 CB A:VAL258 5.0 17.9 1.0 CB A:ALA256 5.0 20.7 1.0

Chlorine binding site 3 out of 13 in the 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl308 b:35.1 occ:1.00 O A:HOH544 3.0 27.0 1.0 O1 A:GOL310 3.0 36.3 1.0 O A:HOH1198 3.0 46.7 1.0 NH1 A:ARG124 3.3 22.1 1.0 CD1 A:TRP174 3.6 19.3 1.0 CB A:ALA284 3.6 20.9 1.0 NE1 A:TRP174 3.8 18.7 1.0 C1 A:GOL310 3.8 36.0 1.0 O A:HOH1170 3.9 27.4 0.5 CD A:ARG124 4.1 19.0 1.0 O2 A:GOL310 4.1 34.3 1.0 CZ A:ARG124 4.4 23.4 1.0 C2 A:GOL310 4.6 35.1 1.0 NE A:ARG124 4.7 20.7 1.0 C A:ALA284 4.8 20.4 1.0 CA A:ALA284 4.8 21.9 1.0 CG A:TRP174 4.9 17.1 1.0 O A:HOH435 5.0 35.6 1.0

Chlorine binding site 4 out of 13 in the 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl309 b:38.7 occ:1.00 OG1 A:THR36 2.9 24.8 1.0 NZ A:LYS41 3.2 43.6 1.0 N A:ASN38 3.3 24.5 1.0 CE A:LYS41 3.4 40.2 1.0 CB A:ASN38 3.5 25.1 1.0 CD A:PRO37 3.7 24.1 1.0 CG2 A:THR36 3.7 23.4 1.0 N A:PRO37 3.7 23.6 1.0 CB A:THR36 3.8 23.6 1.0 CA A:ASN38 4.1 25.7 1.0 C A:THR36 4.2 23.8 1.0 CB A:PRO37 4.3 26.3 1.0 C A:PRO37 4.3 26.2 1.0 CA A:PRO37 4.3 25.4 1.0 CG A:PRO37 4.4 25.6 1.0 CA A:THR36 4.5 23.6 1.0 CD A:LYS41 4.7 37.2 1.0 O A:ASN38 4.8 23.6 1.0 CG A:ASN38 4.9 29.2 1.0 O A:THR36 4.9 22.7 1.0 C A:ASN38 5.0 24.7 1.0

Chlorine binding site 5 out of 13 in the 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl306 b:19.4 occ:1.00 O D:HOH369 3.1 25.0 1.0 N D:ILE260 3.2 15.3 1.0 N B:ILE260 3.3 16.0 1.0 O B:HOH397 3.3 24.7 1.0 CB B:ASN259 3.5 17.6 1.0 CB D:ASN259 3.5 17.3 1.0 CA B:ASN259 3.7 16.9 1.0 CA D:ASN259 3.7 16.6 1.0 CG1 D:ILE260 3.8 17.2 1.0 CG1 B:ILE260 3.9 16.4 1.0 C B:ASN259 4.0 16.7 1.0 C D:ASN259 4.0 16.3 1.0 CG2 B:ILE260 4.0 16.0 1.0 CG2 D:ILE260 4.1 17.4 1.0 O B:HOH410 4.2 31.8 1.0 CB D:ILE260 4.2 15.0 1.0 CB B:ILE260 4.2 15.3 1.0 CA D:ILE260 4.3 14.7 1.0 CA B:ILE260 4.3 15.2 1.0 O D:HOH345 4.3 31.3 1.0 CG D:ASN259 4.5 18.6 1.0 CG B:ASN259 4.5 17.4 1.0 OD1 D:ASN259 4.6 20.1 1.0 CD1 D:ILE260 4.6 18.3 1.0 OD1 B:ASN259 4.6 19.3 1.0 CD1 B:ILE260 4.7 15.2 1.0 O B:HOH448 4.7 39.8 1.0 O D:HOH769 4.7 28.2 0.6 N D:LEU261 4.9 15.6 1.0 N B:LEU261 5.0 15.9 1.0

Chlorine binding site 6 out of 13 in the 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl307 b:31.7 occ:1.00 O B:HOH799 2.8 41.6 1.0 N B:TRP257 3.1 18.0 1.0 O B:HOH1006 3.2 40.5 1.0 C B:GLY255 3.6 17.2 1.0 N B:ALA256 3.6 18.9 1.0 CA B:GLY255 3.6 17.7 1.0 CA B:TRP257 3.8 18.7 1.0 CB B:TRP257 3.8 20.9 1.0 N B:VAL258 3.9 17.1 1.0 C B:TRP257 4.0 18.8 1.0 CG2 B:VAL258 4.0 19.6 1.0 O B:GLY255 4.2 18.4 1.0 C B:ALA256 4.2 19.7 1.0 CA B:ALA256 4.4 18.4 1.0 O B:HOH374 4.5 24.7 1.0 CD1 B:TRP257 4.6 24.1 1.0 CG B:TRP257 4.6 20.2 1.0 O B:TRP257 4.7 20.4 1.0 N B:GLY255 4.8 17.4 1.0 CA B:VAL258 4.9 17.5 1.0 CB B:ALA256 4.9 19.7 1.0 CB B:VAL258 5.0 18.1 1.0

Chlorine binding site 7 out of 13 in the 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl308 b:44.1 occ:1.00 O B:HOH785 2.8 43.3 1.0 OG1 B:THR36 3.0 27.8 1.0 NZ B:LYS41 3.2 41.2 1.0 CE B:LYS41 3.4 39.2 1.0 N B:ASN38 3.4 28.1 1.0 CG2 B:THR36 3.6 23.1 1.0 CD B:PRO37 3.6 26.9 1.0 CB B:ASN38 3.7 28.9 1.0 N B:PRO37 3.8 26.5 1.0 CB B:THR36 3.8 25.0 1.0 CA B:ASN38 4.1 27.9 1.0 C B:THR36 4.3 25.4 1.0 C B:PRO37 4.3 28.5 1.0 CA B:PRO37 4.4 28.4 1.0 CB B:PRO37 4.4 28.8 1.0 CG B:PRO37 4.4 28.6 1.0 CA B:THR36 4.5 24.2 1.0 CD B:LYS41 4.7 35.9 1.0 O B:ASN38 4.9 24.7 1.0

Chlorine binding site 8 out of 13 in the 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl306 b:31.2 occ:1.00 O C:HOH1126 2.6 44.9 1.0 O C:HOH456 2.9 41.1 1.0 N C:TRP257 3.1 19.4 1.0 O C:HOH1127 3.3 39.9 1.0 C C:GLY255 3.6 17.7 1.0 N C:ALA256 3.6 19.0 1.0 CA C:GLY255 3.6 18.1 1.0 CA C:TRP257 3.7 19.4 1.0 CB C:TRP257 3.7 20.3 1.0 N C:VAL258 3.9 17.1 1.0 C C:TRP257 3.9 17.9 1.0 CG2 C:VAL258 4.0 17.3 1.0 O C:GLY255 4.1 18.3 1.0 O C:HOH1204 4.1 35.7 0.5 C C:ALA256 4.2 20.1 1.0 CA C:ALA256 4.4 19.4 1.0 O C:HOH368 4.6 26.9 1.0 CG C:TRP257 4.6 20.9 1.0 CD1 C:TRP257 4.6 23.2 1.0 O C:TRP257 4.7 20.9 1.0 O C:HOH579 4.8 45.5 1.0 N C:GLY255 4.8 17.3 1.0 CA C:VAL258 4.8 16.8 1.0 CB C:ALA256 4.9 20.2 1.0 CB C:VAL258 5.0 16.2 1.0

Chlorine binding site 9 out of 13 in the 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl307 b:31.8 occ:1.00 O C:HOH339 2.9 30.3 1.0 O C:HOH451 3.0 33.8 1.0 ND2 C:ASN135 3.1 25.9 1.0 NE2 C:GLN233 3.1 27.4 1.0 CB C:ASN135 3.6 22.2 1.0 CD1 C:ILE243 3.7 26.6 1.0 CG C:ASN135 3.9 27.3 1.0 CG2 C:ILE132 4.0 15.6 1.0 CD C:GLN233 4.1 19.7 1.0 CG C:GLU131 4.1 24.6 1.0 CG C:GLN233 4.2 17.6 1.0 CA C:ILE132 4.2 15.2 1.0 CG1 C:ILE243 4.2 21.5 1.0 O C:GLU131 4.2 17.5 1.0 CD2 C:LEU241 4.3 19.1 0.5 CD2 C:LEU241 4.4 24.0 0.5 C C:GLU131 4.5 17.1 1.0 N C:ILE132 4.5 15.9 1.0 CB C:ILE132 4.6 15.6 1.0 CD1 C:LEU241 4.6 15.2 0.5 OE2 C:GLU131 4.7 38.3 1.0 CD C:GLU131 4.8 30.4 1.0 CD1 C:LEU241 4.8 20.1 0.5

Chlorine binding site 10 out of 13 in the 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl308 b:47.5 occ:1.00 OG1 C:THR36 3.0 30.7 1.0 N C:ASN38 3.4 33.6 1.0 CD C:PRO37 3.6 32.3 1.0 CB C:ASN38 3.6 34.8 1.0 CG2 C:THR36 3.7 25.9 1.0 N C:PRO37 3.8 31.3 1.0 CB C:THR36 3.9 28.4 1.0 CA C:ASN38 4.1 34.2 1.0 C C:THR36 4.3 30.3 1.0 CG C:PRO37 4.3 33.8 1.0 CB C:PRO37 4.3 35.0 1.0 C C:PRO37 4.4 34.4 1.0 CA C:PRO37 4.4 34.0 1.0 CD C:LYS41 4.4 37.6 1.0 CA C:THR36 4.5 27.8 1.0 O C:ASN38 4.9 30.8 1.0 NZ C:LYS41 5.0 43.6 1.0

G.Minasov, Z.Wawrzak, M.Kudritska, S.Grimshaw, L.Papazisi, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 1.63 Angstrom Resolution Crystal Structure of Dehydrogenase (Mvim) From Clostridium Difficile. To Be Published.