Chlorine in PDB 3qqw: Crystal Structure of A Putative Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 A Resolution

The structure of Crystal Structure of A Putative Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 A Resolution, PDB code: 3qqw 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)	29.79 / 2.44
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	226.401, 73.826, 149.252, 90.00, 125.31, 90.00
R / Rfree (%)	20.2 / 23.1

The binding sites of Chlorine atom in the Crystal Structure of A Putative Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 A Resolution (pdb code 3qqw). 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 Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 A Resolution, PDB code: 3qqw:
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 Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 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 Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:60.6 occ:1.00 N A:MSE177 3.2 59.4 1.0 O A:HOH450 3.5 58.5 1.0 CB A:MSE177 3.6 69.7 1.0 N A:LEU176 3.6 45.9 1.0 CB A:ASN224 3.9 40.0 1.0 CB A:LEU176 3.9 45.4 1.0 CA A:MSE177 4.0 63.9 1.0 CA A:LEU176 4.0 46.4 1.0 C A:LEU176 4.1 57.6 1.0 C A:GLY175 4.3 50.8 1.0 O A:HOH513 4.3 48.2 1.0 O A:HOH471 4.5 42.7 1.0 CA A:GLY175 4.5 45.7 1.0 CG2 A:VAL225 4.7 43.2 1.0 CG A:ASN224 4.9 62.9 1.0 CG A:MSE177 4.9 83.5 1.0 CG A:LEU176 4.9 49.0 1.0 CA A:ASN224 4.9 40.5 1.0

Chlorine binding site 2 out of 9 in the Crystal Structure of A Putative Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 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 Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl400 b:88.8 occ:1.00 NE B:ARG158 3.6 40.4 1.0 NE2 B:GLN162 3.7 56.1 1.0 NH2 B:ARG158 3.7 44.2 1.0 CZ B:ARG158 3.8 53.6 1.0 OD1 B:ASP159 4.0 57.0 1.0 O B:ARG158 4.0 38.3 1.0 CD B:ARG158 4.3 35.9 1.0 CG B:ARG158 4.4 34.1 1.0 CD B:GLN162 4.5 69.7 1.0 NH1 B:ARG158 4.6 42.3 1.0 C B:ARG158 4.8 39.1 1.0 OE1 B:GLN162 5.0 63.4 1.0

Chlorine binding site 3 out of 9 in the Crystal Structure of A Putative Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 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 Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:98.7 occ:1.00 N B:ALA319 3.2 74.7 1.0 CB B:MSE318 3.5 67.3 1.0 CE B:MSE318 3.8 77.4 1.0 CA B:MSE318 3.8 67.2 1.0 O B:ALA319 3.9 86.0 1.0 CD1 B:PHE270 4.0 0.2 1.0 CG B:MSE318 4.0 72.0 1.0 C B:MSE318 4.0 74.7 1.0 CB B:ALA319 4.0 80.6 1.0 CA B:ALA319 4.1 77.0 1.0 CE1 B:PHE270 4.3 0.5 1.0 C B:ALA319 4.5 84.4 1.0 SE B:MSE318 4.8 77.5 0.8

Chlorine binding site 4 out of 9 in the Crystal Structure of A Putative Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 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 Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl401 b:47.5 occ:1.00 NE C:ARG72 3.1 48.9 1.0 NH2 C:ARG72 3.4 34.5 1.0 CZ C:ARG72 3.7 55.3 1.0 CA C:MSE69 3.8 36.3 1.0 N C:MSE69 3.8 39.0 1.0 C C:GLU68 3.9 43.9 1.0 O C:GLU68 3.9 44.5 1.0 CD C:ARG72 4.1 46.7 1.0 CB C:GLU68 4.2 42.4 1.0 CB C:MSE69 4.4 37.3 1.0 CB C:ARG72 4.6 36.6 1.0 O C:HOH552 4.7 43.8 1.0 CA C:GLU68 4.7 39.5 1.0 O C:GLU65 4.8 49.5 1.0 CG C:ARG72 5.0 44.5 1.0

Chlorine binding site 5 out of 9 in the Crystal Structure of A Putative Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 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 Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl406 b:56.7 occ:1.00 O C:HOH565 2.9 38.5 1.0 N C:MSE177 3.4 54.1 1.0 O C:HOH441 3.4 47.1 1.0 N C:LEU176 3.5 43.0 1.0 CB C:MSE177 3.8 62.0 1.0 CB C:ASN224 3.9 39.9 1.0 CB C:LEU176 4.0 43.5 1.0 CA C:LEU176 4.1 43.8 1.0 C C:GLY175 4.1 44.1 1.0 CA C:MSE177 4.2 57.0 1.0 C C:LEU176 4.2 53.0 1.0 CA C:GLY175 4.2 37.6 1.0 O C:HOH442 4.5 44.1 1.0 O C:PHE174 4.8 42.8 1.0 CA C:ASN224 4.9 39.9 1.0 CG C:ASN224 4.9 49.8 1.0 CG2 C:VAL225 4.9 44.4 1.0

Chlorine binding site 6 out of 9 in the Crystal Structure of A Putative Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 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 Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl402 b:62.1 occ:1.00 O D:HOH702 2.9 54.8 1.0 O D:HOH585 2.9 36.0 1.0 N D:MSE177 3.5 53.5 1.0 N D:LEU176 3.7 43.4 1.0 CB D:ASN224 3.9 37.0 1.0 CB D:MSE177 3.9 63.9 1.0 O D:HOH462 4.0 40.8 1.0 CB D:LEU176 4.2 43.4 1.0 CA D:LEU176 4.3 43.9 1.0 C D:GLY175 4.3 46.1 1.0 CA D:MSE177 4.3 57.6 1.0 C D:LEU176 4.4 51.7 1.0 CA D:GLY175 4.4 40.4 1.0 O D:HOH459 4.4 37.3 1.0 CG2 D:VAL225 4.5 42.8 1.0 CA D:ASN224 4.8 37.9 1.0 N D:VAL225 4.8 37.6 1.0 CE D:MSE192 4.9 59.0 0.5 CG D:ASN224 4.9 44.5 1.0 O D:PHE174 4.9 48.2 1.0

Chlorine binding site 7 out of 9 in the Crystal Structure of A Putative Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 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 Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl403 b:81.6 occ:1.00 N E:ALA319 3.4 52.3 1.0 CB E:MSE318 3.8 41.4 1.0 CA E:MSE318 3.8 41.0 1.0 CG E:MSE318 4.0 44.4 1.0 CB E:ALA319 4.1 57.7 1.0 C E:MSE318 4.1 50.8 1.0 CA E:ALA319 4.3 55.6 1.0 CE E:MSE318 4.4 44.7 1.0 O E:ALA319 4.6 67.9 1.0 CD2 E:PHE270 4.9 77.3 1.0 C E:ALA319 5.0 65.6 1.0

Chlorine binding site 8 out of 9 in the Crystal Structure of A Putative Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 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 Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl407 b:46.7 occ:1.00 O E:HOH490 2.9 34.3 1.0 N E:MSE177 3.3 44.7 1.0 O E:HOH498 3.4 38.2 1.0 N E:LEU176 3.5 32.3 1.0 CB E:MSE177 3.7 54.1 1.0 CB E:LEU176 4.0 31.6 1.0 CB E:ASN224 4.0 27.6 1.0 CA E:LEU176 4.1 33.1 1.0 CA E:MSE177 4.1 48.6 1.0 C E:GLY175 4.2 35.9 1.0 C E:LEU176 4.2 44.2 1.0 CA E:GLY175 4.4 29.9 1.0 O E:HOH497 4.4 36.3 1.0 O E:HOH491 4.5 37.9 1.0 O E:PHE174 4.9 37.9 1.0 CG2 E:VAL225 4.9 34.0 1.0 CA E:ASN224 5.0 33.0 1.0 O E:HOH489 5.0 37.8 1.0

Chlorine binding site 9 out of 9 in the Crystal Structure of A Putative Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 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 Lyase (REUT_B4148) From Ralstonia Eutropha JMP134 at 2.44 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl408 b:58.8 occ:1.00 N F:MSE177 3.2 51.0 1.0 N F:LEU176 3.4 44.0 1.0 CB F:MSE177 3.6 60.0 1.0 CB F:ASN224 3.9 33.6 1.0 CA F:LEU176 4.0 44.3 1.0 CB F:LEU176 4.0 44.7 1.0 CA F:MSE177 4.0 54.2 1.0 C F:GLY175 4.0 47.3 1.0 C F:LEU176 4.0 50.6 1.0 CA F:GLY175 4.3 40.6 1.0 O F:HOH641 4.4 50.9 1.0 CG2 F:VAL225 4.8 48.2 1.0 O F:PHE174 4.9 44.3 1.0 CG F:ASN224 4.9 50.6 1.0 CA F:ASN224 4.9 37.4 1.0 O F:GLY175 4.9 48.5 1.0 CG F:MSE177 5.0 74.2 1.0

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