Chlorine in PDB 3mbh: Crystal Structure of A Putative Phosphomethylpyrimidine Kinase (BT_4458) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.00 A Resolution (Orthorhombic Form with Pyridoxal)

The structure of Crystal Structure of A Putative Phosphomethylpyrimidine Kinase (BT_4458) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.00 A Resolution (Orthorhombic Form with Pyridoxal), PDB code: 3mbh 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)	29.81 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	93.723, 138.368, 143.539, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 20.6

The binding sites of Chlorine atom in the Crystal Structure of A Putative Phosphomethylpyrimidine Kinase (BT_4458) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.00 A Resolution (Orthorhombic Form with Pyridoxal) (pdb code 3mbh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A Putative Phosphomethylpyrimidine Kinase (BT_4458) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.00 A Resolution (Orthorhombic Form with Pyridoxal), PDB code: 3mbh:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A Putative Phosphomethylpyrimidine Kinase (BT_4458) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.00 A Resolution (Orthorhombic Form with Pyridoxal)


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 Phosphomethylpyrimidine Kinase (BT_4458) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.00 A Resolution (Orthorhombic Form with Pyridoxal) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl291 b:26.4 occ:1.00 O A:HOH331 2.9 20.5 1.0 O A:HOH354 3.0 22.5 1.0 NE1 A:TRP208 3.3 17.4 1.0 ND2 A:ASN201 3.3 16.5 1.0 CB A:ASN201 3.7 14.9 1.0 CE2 A:TRP208 4.0 18.1 1.0 CB A:LEU240 4.0 14.8 1.0 CG A:ASN201 4.0 15.4 1.0 CZ2 A:TRP208 4.0 16.1 1.0 CB D:PHE259 4.1 17.0 1.0 CD A:PRO241 4.1 14.3 1.0 CD2 A:LEU240 4.3 12.0 1.0 CB A:ARG206 4.3 17.5 1.0 CD1 A:TRP208 4.4 17.1 1.0 CD A:ARG206 4.5 19.6 1.0 N D:GLY260 4.6 17.8 1.0 CA D:GLY260 4.6 18.4 1.0 C D:PHE259 4.6 17.6 1.0 CG A:LEU240 4.7 16.1 1.0 N A:LEU240 4.8 15.4 1.0 O D:PHE259 4.8 18.2 1.0 O A:GLN203 4.9 18.8 1.0 NH1 A:ARG206 4.9 17.7 1.0 CG A:ARG206 4.9 18.1 1.0 CD2 D:PHE259 4.9 16.1 1.0 CA A:LEU240 4.9 15.6 1.0 CG A:PRO241 5.0 14.9 1.0 CG D:PHE259 5.0 15.4 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Putative Phosphomethylpyrimidine Kinase (BT_4458) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.00 A Resolution (Orthorhombic Form with Pyridoxal)


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 Phosphomethylpyrimidine Kinase (BT_4458) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.00 A Resolution (Orthorhombic Form with Pyridoxal) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl291 b:27.3 occ:1.00 O C:HOH323 3.0 18.8 1.0 O B:HOH292 3.1 12.0 1.0 NE1 C:TRP208 3.2 18.6 1.0 ND2 C:ASN201 3.5 15.2 1.0 CB C:ASN201 3.7 15.8 1.0 CE2 C:TRP208 3.9 15.8 1.0 CB C:LEU240 3.9 15.4 1.0 CZ2 C:TRP208 4.0 16.6 1.0 CD C:PRO241 4.0 15.6 1.0 CB B:PHE259 4.0 17.9 1.0 CG C:ASN201 4.1 18.4 1.0 CD2 C:LEU240 4.3 16.3 1.0 CD1 C:TRP208 4.3 16.6 1.0 CB C:ARG206 4.3 17.1 1.0 CA B:GLY260 4.4 20.6 1.0 N B:GLY260 4.5 19.5 1.0 CD C:ARG206 4.5 20.5 1.0 C B:PHE259 4.6 18.6 1.0 O B:PHE259 4.6 19.4 1.0 CG C:LEU240 4.7 15.6 1.0 O C:GLN203 4.8 16.7 1.0 N C:LEU240 4.8 15.4 1.0 CD2 B:PHE259 4.9 20.5 1.0 CG C:ARG206 4.9 18.1 1.0 CG B:PHE259 5.0 16.9 1.0 CA C:LEU240 5.0 15.5 1.0 CG C:PRO241 5.0 18.4 1.0 NH1 C:ARG206 5.0 19.7 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A Putative Phosphomethylpyrimidine Kinase (BT_4458) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.00 A Resolution (Orthorhombic Form with Pyridoxal)


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 Phosphomethylpyrimidine Kinase (BT_4458) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.00 A Resolution (Orthorhombic Form with Pyridoxal) within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl291 b:21.3 occ:1.00 O E:HOH297 3.0 12.7 1.0 O A:HOH294 3.2 11.2 1.0 NE1 E:TRP208 3.3 17.2 1.0 ND2 E:ASN201 3.4 14.2 1.0 CB E:ASN201 3.8 13.7 1.0 CB E:LEU240 3.8 13.1 1.0 CD E:PRO241 3.8 16.6 1.0 CE2 E:TRP208 4.0 16.9 1.0 CB A:PHE259 4.0 12.7 1.0 CZ2 E:TRP208 4.1 17.9 1.0 CG E:ASN201 4.1 15.4 1.0 CD2 E:LEU240 4.2 13.2 1.0 CD E:ARG206 4.3 20.2 1.0 CB E:ARG206 4.3 18.1 1.0 CD1 E:TRP208 4.3 15.0 1.0 CG E:LEU240 4.5 16.7 1.0 N A:GLY260 4.6 15.3 1.0 CA A:GLY260 4.6 17.0 1.0 N E:LEU240 4.7 14.8 1.0 C A:PHE259 4.7 15.3 1.0 O E:GLN203 4.7 17.0 0.5 CD2 A:PHE259 4.7 13.1 1.0 CG E:ARG206 4.7 19.4 1.0 NH1 E:ARG206 4.7 21.3 1.0 CA E:LEU240 4.7 15.2 1.0 CG E:PRO241 4.8 16.5 1.0 O A:PHE259 4.9 16.0 1.0 O E:GLN203 4.9 17.4 0.5 CG A:PHE259 4.9 13.0 1.0 N E:PRO241 4.9 15.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Putative Phosphomethylpyrimidine Kinase (BT_4458) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.00 A Resolution (Orthorhombic Form with Pyridoxal)


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 Phosphomethylpyrimidine Kinase (BT_4458) From Bacteroides Thetaiotaomicron Vpi-5482 at 2.00 A Resolution (Orthorhombic Form with Pyridoxal) within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl291 b:36.0 occ:1.00 O F:HOH310 3.1 19.6 1.0 NE1 F:TRP208 3.1 17.1 1.0 O F:HOH321 3.2 21.6 1.0 ND2 F:ASN201 3.4 16.0 1.0 CB F:ASN201 3.8 16.6 1.0 CD F:PRO241 3.8 15.2 1.0 CB F:LEU240 3.8 15.4 1.0 CE2 F:TRP208 3.9 17.8 1.0 CZ2 F:TRP208 4.0 17.9 1.0 CB C:PHE259 4.0 19.3 1.0 CG F:ASN201 4.1 16.2 1.0 CD1 F:TRP208 4.2 17.4 1.0 CD2 F:LEU240 4.3 14.3 1.0 CB F:ARG206 4.3 17.0 1.0 CD F:ARG206 4.4 18.7 1.0 N C:GLY260 4.5 20.4 1.0 CG F:LEU240 4.5 15.9 1.0 CA C:GLY260 4.5 20.5 1.0 C C:PHE259 4.7 20.7 1.0 N F:LEU240 4.7 14.6 1.0 CG F:PRO241 4.7 16.3 1.0 CD2 C:PHE259 4.8 19.5 1.0 CA F:LEU240 4.8 15.1 1.0 CG C:PHE259 4.8 19.9 1.0 NH1 F:ARG206 4.8 17.9 1.0 O F:GLN203 4.9 16.3 1.0 CG F:ARG206 4.9 17.5 1.0 N F:PRO241 4.9 15.6 1.0

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