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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)

Protein crystallography data

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

Chlorine Binding Sites:

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 3mbh

Go back to Chlorine Binding Sites List in 3mbh
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 3mbh

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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 3mbh

Go back to Chlorine Binding Sites List in 3mbh
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 3mbh

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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

Reference:

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.
Page generated: Sat Dec 12 09:54:44 2020

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