Chlorine in PDB 4hpe: Crystal Structure of A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution

The structure of Crystal Structure of A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution, PDB code: 4hpe was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.40 / 2.38
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	65.522, 101.211, 101.436, 109.71, 108.86, 101.36
R / Rfree (%)	17.5 / 21.1

The binding sites of Chlorine atom in the Crystal Structure of A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution (pdb code 4hpe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution, PDB code: 4hpe:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in the Crystal Structure of A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution


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 A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:41.7 occ:1.00 N A:LYS172 3.0 39.6 1.0 N C:LYS172 3.2 35.3 1.0 CA A:LYS171 3.7 40.9 1.0 CB A:LYS172 3.8 39.0 1.0 CA C:LYS171 3.8 37.1 1.0 C A:LYS171 3.9 43.3 1.0 CA A:LYS172 3.9 37.4 1.0 CB C:LYS172 3.9 33.3 1.0 O A:GLY170 4.0 45.8 1.0 C C:LYS171 4.0 38.6 1.0 O C:GLY170 4.0 42.3 1.0 CA C:LYS172 4.0 33.7 1.0 CG A:LYS172 4.2 37.8 1.0 O A:LYS172 4.2 37.3 1.0 CG C:LYS172 4.3 32.9 1.0 O C:LYS172 4.3 37.3 1.0 CD A:LYS171 4.3 67.7 1.0 CD C:LYS171 4.5 63.7 1.0 CB A:LYS171 4.5 42.0 1.0 C A:LYS172 4.6 38.4 1.0 CB C:LYS171 4.6 40.6 1.0 C C:LYS172 4.7 37.7 1.0 N A:LYS171 4.7 42.6 1.0 C A:GLY170 4.8 46.2 1.0 N C:LYS171 4.8 38.6 1.0 CD A:LYS172 4.8 44.2 1.0 C C:GLY170 4.8 43.0 1.0 CD C:LYS172 4.9 34.1 1.0

Chlorine binding site 2 out of 9 in the Crystal Structure of A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution


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 A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:75.0 occ:1.00 NE A:ARG165 3.3 43.9 1.0 NH2 A:ARG165 3.4 44.1 1.0 CG E:ARG63 3.5 56.1 1.0 CZ A:ARG165 3.8 57.3 1.0 CA A:GLY170 3.9 39.6 1.0 O E:HOH600 4.0 55.9 1.0 CD E:ARG63 4.0 55.4 1.0 O E:ARG63 4.1 57.0 1.0 CD A:ARG165 4.5 42.6 1.0 CG A:ARG165 4.6 38.2 1.0 N A:GLY170 4.7 37.8 1.0 CB E:ARG63 4.8 48.2 1.0 C E:ARG63 4.9 55.3 1.0 O A:GLY170 5.0 45.8 1.0

Chlorine binding site 3 out of 9 in the Crystal Structure of A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution


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 A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:87.4 occ:1.00 N A:LYS334 3.8 71.9 1.0 O A:ALA267 3.8 54.6 1.0 O A:SER256 4.0 68.2 1.0 CD2 A:LEU257 4.1 60.0 1.0 CB A:LYS334 4.2 80.1 1.0 CB A:ALA267 4.4 52.9 1.0 CB A:VAL333 4.5 62.7 1.0 CG2 A:ILE255 4.5 65.1 1.0 CA A:LYS334 4.5 75.8 1.0 O A:LYS334 4.6 85.1 1.0 CA A:VAL333 4.6 59.7 1.0 C A:ALA267 4.7 53.5 1.0 C A:VAL333 4.7 70.8 1.0

Chlorine binding site 4 out of 9 in the Crystal Structure of A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution


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 A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:75.7 occ:1.00 O B:HOH526 3.2 41.8 1.0 N A:GLY310 3.4 34.3 1.0 O A:HOH588 4.1 59.8 1.0 CA A:GLY310 4.1 31.9 1.0 CE1 A:HIS296 4.1 39.8 1.0 C A:ALA309 4.3 38.5 1.0 O A:ALA309 4.3 36.4 1.0 C A:GLY310 4.4 39.2 1.0 N A:ASP311 4.5 38.0 1.0 ND1 A:HIS296 4.6 41.5 1.0 ND2 B:ASN101 4.6 74.6 1.0 CE1 A:HIS308 4.7 34.3 1.0 OD1 B:ASN101 4.7 62.4 1.0 CB B:ALA86 4.8 45.9 1.0 O B:HOH527 4.8 42.4 1.0 CG B:ASN101 4.9 74.4 1.0 NE2 A:HIS296 4.9 39.2 1.0 CD2 A:TYR229 4.9 51.4 1.0 CE2 A:TYR229 5.0 53.4 1.0

Chlorine binding site 5 out of 9 in the Crystal Structure of A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution


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 A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:81.9 occ:1.00 N B:GLY310 3.3 35.8 1.0 O A:HOH554 3.5 51.5 1.0 CE1 B:HIS296 3.8 39.1 1.0 CA B:GLY310 3.9 35.8 1.0 C B:ALA309 4.2 41.6 1.0 O B:ALA309 4.2 43.8 1.0 ND1 B:HIS296 4.3 39.6 1.0 C B:GLY310 4.4 43.3 1.0 O A:HOH570 4.4 57.6 1.0 ND2 A:ASN101 4.5 52.8 1.0 CE1 B:HIS308 4.6 35.3 1.0 N B:ASP311 4.6 41.2 1.0 NE2 B:HIS296 4.7 38.5 1.0 O B:HOH509 4.7 36.8 1.0 CE2 B:TYR229 4.8 44.8 1.0 CD2 B:TYR229 4.8 44.2 1.0 OD1 A:ASN101 4.8 56.5 1.0 ND1 B:HIS308 4.9 35.9 1.0 O A:HOH562 4.9 50.9 1.0 O B:HOH565 4.9 53.8 1.0 CG A:ASN101 4.9 58.7 1.0 O B:GLY310 5.0 41.8 1.0

Chlorine binding site 6 out of 9 in the Crystal Structure of A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution


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 A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:70.3 occ:1.00 N C:GLY310 3.3 46.4 1.0 CA C:GLY310 4.0 45.4 1.0 CE1 C:HIS296 4.0 47.5 1.0 C C:ALA309 4.2 50.2 1.0 O C:ALA309 4.2 49.1 1.0 C C:GLY310 4.4 50.6 1.0 ND1 C:HIS296 4.5 49.3 1.0 N C:ASP311 4.6 48.5 1.0 CE2 C:TYR229 4.7 58.4 1.0 CD2 C:TYR229 4.7 57.4 1.0 O C:HOH562 4.8 49.9 1.0 NE2 C:HIS296 4.8 46.7 1.0 CE1 C:HIS308 4.8 41.2 1.0 O C:GLY310 5.0 49.3 1.0

Chlorine binding site 7 out of 9 in the Crystal Structure of A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution


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 A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl401 b:60.5 occ:1.00 O D:HOH537 2.9 40.1 1.0 N D:GLY310 3.3 32.8 1.0 CA D:GLY310 4.0 31.2 1.0 CE1 D:HIS296 4.0 33.4 1.0 C D:ALA309 4.3 36.4 1.0 O D:ALA309 4.3 36.6 1.0 O D:HOH505 4.3 29.9 1.0 C D:GLY310 4.4 33.7 1.0 ND1 D:HIS296 4.5 34.5 1.0 N D:ASP311 4.5 32.1 1.0 NE2 D:HIS296 4.7 33.7 1.0 CE1 D:HIS308 4.8 30.0 1.0 CD2 D:TYR229 4.8 31.9 1.0 CE2 D:TYR229 4.8 32.1 1.0 O D:HOH556 4.8 50.5 1.0

Chlorine binding site 8 out of 9 in the Crystal Structure of A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution


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 A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl401 b:62.9 occ:1.00 O E:HOH519 3.1 37.0 1.0 N E:GLY310 3.1 32.2 1.0 CA E:GLY310 3.8 31.8 1.0 CE1 E:HIS296 4.1 34.5 1.0 C E:GLY310 4.1 36.1 1.0 C E:ALA309 4.1 34.1 1.0 N E:ASP311 4.2 34.1 1.0 O E:ALA309 4.2 34.5 1.0 O E:HOH533 4.4 44.8 1.0 O E:HOH605 4.5 58.1 1.0 CE1 E:HIS308 4.6 27.1 1.0 ND1 E:HIS296 4.7 36.2 1.0 O E:GLY310 4.8 34.9 1.0 CD2 E:TYR229 4.8 31.9 1.0 NE2 E:HIS296 4.8 34.5 1.0 CB E:ASP311 4.8 33.1 1.0 CE2 E:TYR229 4.9 33.0 1.0 ND1 E:HIS308 4.9 27.8 1.0

Chlorine binding site 9 out of 9 in the Crystal Structure of A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of A Putative Cell Wall Hydrolase (CD630_03720) From Clostridium Difficile 630 at 2.38 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl401 b:69.7 occ:1.00 O F:HOH535 3.0 40.4 1.0 N F:GLY310 3.3 29.6 1.0 O F:HOH526 3.4 38.5 1.0 CA F:GLY310 3.9 30.3 1.0 CE1 F:HIS296 4.1 32.2 1.0 C F:GLY310 4.3 36.3 1.0 C F:ALA309 4.3 35.1 1.0 O F:ALA309 4.4 36.6 1.0 N F:ASP311 4.4 34.2 1.0 O F:HOH508 4.5 30.5 1.0 O F:HOH573 4.6 49.8 1.0 ND1 F:HIS296 4.7 33.2 1.0 CE1 F:HIS308 4.7 30.3 1.0 O F:HOH584 4.8 58.1 1.0 CD2 F:TYR229 4.9 35.8 1.0 NE2 F:HIS296 4.9 33.1 1.0 CB F:ASP311 4.9 32.8 1.0 O F:GLY310 4.9 32.2 1.0 CE2 F:TYR229 5.0 36.9 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.