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Chlorine in PDB 3hzn: Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase

Protein crystallography data

The structure of Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase, PDB code: 3hzn was solved by S.M.Anderson, Z.Wawrzak, O.Onopriyenko, T.Skarina, W.F.Anderson, A.Savchenko, 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) 30.00 / 2.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 280.340, 96.760, 131.840, 90.00, 90.36, 90.00
R / Rfree (%) 17.7 / 22.2

Other elements in 3hzn:

The structure of Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase also contains other interesting chemical elements:

Sodium (Na) 4 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase (pdb code 3hzn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase, PDB code: 3hzn:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 3hzn

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Chlorine binding site 1 out of 12 in the Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl229

b:57.2
occ:1.00
 NH2 A:ARG10 2.8 20.8 1.0
O A:HOH676 2.8 26.1 1.0
O A:ALA161 3.0 27.1 1.0
C A:ALA161 3.4 26.1 1.0
O A:TYR11 3.5 25.8 1.0
NE A:ARG10 3.6 23.0 1.0
CZ A:ARG10 3.6 28.1 1.0
CD2 A:LEU151 3.7 18.2 1.0
N A:VAL162 3.8 25.9 1.0
CB A:ALA161 3.9 24.2 1.0
CA A:VAL162 3.9 24.4 1.0
CD A:PRO163 4.0 23.3 1.0
CA A:ALA161 4.1 25.7 1.0
C A:TYR11 4.1 27.6 1.0
CA A:SER12 4.2 30.0 1.0
O A:HOH253 4.3 26.4 1.0
N A:ALA161 4.4 26.5 1.0
N A:SER12 4.4 28.9 1.0
O A:HOH793 4.5 17.8 0.5
CB A:LEU151 4.6 25.0 1.0
OG A:SER12 4.6 36.3 1.0
CG A:LEU151 4.6 25.3 1.0
C A:VAL162 4.7 24.6 1.0
N A:PRO163 4.7 24.2 1.0
O9 A:MLI227 4.8 10.3 0.5
CD1 A:LEU151 4.8 19.4 1.0
NH1 A:ARG10 4.9 27.3 1.0
CD A:ARG10 4.9 25.1 1.0
CB A:SER12 5.0 28.6 1.0

Chlorine binding site 2 out of 12 in 3hzn

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Chlorine binding site 2 out of 12 in the Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl226

b:68.1
occ:1.00
 CB B:ALA27 3.6 41.6 1.0
NE2 B:HIS80 3.8 42.4 1.0
NZ B:LYS31 4.5 63.7 1.0
OG B:SER52 4.5 48.5 0.5
CE1 B:HIS80 4.6 45.7 1.0
CD2 B:HIS80 4.8 45.0 1.0
OG B:SER52 4.8 37.5 0.5
CE B:LYS31 4.9 59.8 1.0
OE2 A:GLU216 5.0 50.1 1.0

Chlorine binding site 3 out of 12 in 3hzn

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Chlorine binding site 3 out of 12 in the Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl234

b:53.5
occ:1.00
 O C:HOH265 3.1 40.5 1.0
NE2 D:GLN35 3.4 15.9 1.0
N C:LEU210 3.4 29.4 1.0
CA C:PRO209 3.7 30.6 1.0
CB C:PRO209 4.0 29.2 1.0
O C:HOH279 4.0 33.8 1.0
C C:PRO209 4.1 29.7 1.0
CG C:LEU210 4.1 30.8 1.0
CB C:LEU210 4.2 28.8 1.0
CD D:GLN35 4.2 30.3 1.0
OE1 D:GLN35 4.3 23.9 1.0
CD1 C:LEU210 4.4 24.9 1.0
CA C:LEU210 4.4 29.9 1.0
N C:PRO209 5.0 28.9 1.0

Chlorine binding site 4 out of 12 in 3hzn

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Chlorine binding site 4 out of 12 in the Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl235

b:28.2
occ:0.50
 CL D:CL231 2.7 30.6 0.5
NH1 C:ARG207 2.9 15.8 1.0
O C:HOH628 2.9 34.5 1.0
N C:SER206 2.9 28.6 1.0
CA C:LYS205 3.4 28.5 1.0
O C:SER206 3.5 26.6 1.0
C C:LYS205 3.7 29.3 1.0
NH1 D:ARG107 3.8 20.6 1.0
NZ C:LYS205 3.8 30.4 1.0
CB C:LYS205 3.8 27.1 1.0
C1 C:MLI229 3.9 37.4 1.0
CA C:SER206 3.9 27.7 1.0
C2 C:MLI229 4.0 47.5 1.0
C C:SER206 4.1 28.6 1.0
O7 C:MLI229 4.1 37.3 1.0
CZ C:ARG207 4.1 21.0 1.0
ND2 D:ASN42 4.2 22.2 1.0
O8 C:MLI229 4.2 37.9 1.0
CZ D:ARG107 4.3 25.1 1.0
CE C:LYS205 4.3 28.3 1.0
CB C:SER206 4.3 27.5 1.0
CG C:LYS205 4.4 26.7 1.0
O6 C:MLI229 4.5 50.2 1.0
C3 C:MLI229 4.5 38.9 1.0
O C:PRO204 4.6 30.4 1.0
CD D:ARG107 4.6 25.9 1.0
CG D:ASN42 4.6 23.9 1.0
NE D:ARG107 4.7 29.6 1.0
NH2 C:ARG207 4.7 23.8 1.0
N C:LYS205 4.7 30.4 1.0
OD1 D:ASN42 4.8 26.8 1.0
O C:LYS205 4.9 31.0 1.0
NH2 D:ARG107 4.9 22.6 1.0

Chlorine binding site 5 out of 12 in 3hzn

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Chlorine binding site 5 out of 12 in the Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl236

b:67.9
occ:1.00
 NH1 C:ARG97 2.6 28.1 1.0
O C:HOH677 2.8 28.3 1.0
OG1 D:THR212 2.8 26.6 1.0
CD C:ARG97 3.2 27.4 1.0
CB D:THR212 3.5 24.5 1.0
CG C:ARG97 3.5 24.3 1.0
CG2 D:THR212 3.6 15.9 1.0
CZ C:ARG97 3.6 34.7 1.0
CD D:PRO209 3.7 24.2 1.0
CD2 D:LEU208 3.8 14.3 1.0
NE C:ARG97 3.8 34.2 1.0
O C:HOH366 4.0 37.6 1.0
CG D:PRO209 4.1 21.8 1.0
O D:HOH234 4.3 28.7 1.0
CB D:LEU208 4.4 16.5 1.0
CG D:LEU208 4.5 16.6 1.0
O C:HOH672 4.5 22.2 1.0
CD1 D:LEU208 4.7 16.9 1.0
N D:PRO209 4.8 22.6 1.0
NH2 C:ARG97 4.8 39.6 1.0
CA D:LEU208 4.9 18.4 1.0
CA D:THR212 5.0 24.4 1.0

Chlorine binding site 6 out of 12 in 3hzn

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Chlorine binding site 6 out of 12 in the Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl237

b:68.4
occ:1.00
 O C:HOH675 2.7 25.2 1.0
NE C:ARG97 2.9 34.2 1.0
NH2 C:ARG97 3.2 39.6 1.0
O C:ALA93 3.4 22.4 1.0
CZ C:ARG97 3.5 34.7 1.0
C C:ALA93 3.5 23.1 1.0
CB C:ALA93 3.7 20.1 1.0
N C:TRP94 3.7 22.2 1.0
O C:HOH457 3.9 42.8 1.0
CA C:TRP94 3.9 23.1 1.0
CE3 C:TRP94 3.9 27.0 1.0
CD C:ARG97 4.0 27.4 1.0
CB C:ARG97 4.2 23.6 1.0
CA C:ALA93 4.2 23.2 1.0
OD2 C:ASP91 4.3 30.9 1.0
CB C:TRP94 4.5 23.9 1.0
O C:HOH259 4.6 26.6 1.0
CZ3 C:TRP94 4.6 24.3 1.0
CG C:ARG97 4.7 24.3 1.0
CD2 C:TRP94 4.8 23.3 1.0
NH1 C:ARG97 4.8 28.1 1.0

Chlorine binding site 7 out of 12 in 3hzn

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Chlorine binding site 7 out of 12 in the Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl230

b:70.9
occ:1.00
 O D:ALA7 2.5 27.7 1.0
O C:TYR36 2.6 27.8 1.0
O C:HOH691 3.0 43.2 1.0
NH1 D:ARG10 3.1 27.4 1.0
CD D:ARG10 3.4 26.4 1.0
CG D:ARG10 3.4 27.6 1.0
C D:ALA7 3.6 27.5 1.0
C C:TYR36 3.8 24.3 1.0
CE D:LYS205 3.9 48.4 1.0
CA D:ALA7 4.0 26.3 1.0
CZ D:ARG10 4.0 32.8 1.0
NH2 D:ARG207 4.1 17.3 1.0
NE D:ARG10 4.1 28.6 1.0
CB D:ALA7 4.3 25.9 1.0
O C:HOH246 4.4 18.9 1.0
CB C:TYR36 4.4 22.9 1.0
CD D:LYS205 4.4 46.1 1.0
O2 D:SIN219 4.5 51.8 1.0
CD C:PRO38 4.5 22.5 1.0
O D:ARG10 4.5 33.5 1.0
N C:PRO38 4.6 25.8 1.0
N C:SER37 4.6 24.9 1.0
CA C:SER37 4.7 23.8 1.0
CG C:PRO38 4.7 26.2 1.0
CA C:TYR36 4.7 23.8 1.0
C C:SER37 4.7 25.0 1.0
N D:LEU8 4.7 28.8 1.0
CB D:ARG10 4.8 28.2 1.0

Chlorine binding site 8 out of 12 in 3hzn

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Chlorine binding site 8 out of 12 in the Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl231

b:30.6
occ:0.50
 CL C:CL235 2.7 28.2 0.5
OE2 D:GLU102 2.8 33.4 1.0
CZ D:ARG107 3.3 25.1 1.0
ND2 D:ASN42 3.3 22.2 1.0
O6 C:MLI229 3.4 50.2 1.0
NE D:ARG107 3.4 29.6 1.0
NH2 D:ARG107 3.6 22.6 1.0
O D:HOH253 3.6 28.6 1.0
C2 C:MLI229 3.6 47.5 1.0
C1 C:MLI229 3.7 37.4 1.0
NH1 D:ARG107 3.7 20.6 1.0
CG D:ASN42 3.7 23.9 1.0
CD D:GLU102 3.9 37.2 1.0
CB D:ASN42 3.9 21.6 1.0
CD D:ARG107 4.0 25.9 1.0
O D:HOH378 4.3 46.0 1.0
O7 C:MLI229 4.4 37.3 1.0
OD1 D:ASN42 4.5 26.8 1.0
O C:HOH628 4.5 34.5 1.0
O C:SER206 4.5 26.6 1.0
NH1 C:ARG207 4.5 15.8 1.0
OE1 D:GLU102 4.7 38.9 1.0
N C:SER206 4.8 28.6 1.0
CG D:GLU102 4.8 27.1 1.0
CB C:SER206 4.9 27.5 1.0

Chlorine binding site 9 out of 12 in 3hzn

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Chlorine binding site 9 out of 12 in the Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl224

b:80.7
occ:1.00
 NE E:ARG97 3.0 36.0 1.0
O E:HOH254 3.0 30.4 1.0
NH2 E:ARG97 3.3 39.5 1.0
CZ E:ARG97 3.6 42.6 1.0
CB E:ALA93 3.7 23.3 1.0
O E:ALA93 3.8 30.3 1.0
C E:ALA93 3.8 28.1 1.0
CE3 E:TRP94 3.8 28.1 1.0
N E:TRP94 4.0 28.3 1.0
CD E:ARG97 4.1 23.4 1.0
CA E:TRP94 4.2 29.1 1.0
CA E:ALA93 4.4 27.6 1.0
CB E:ARG97 4.4 27.6 1.0
CZ3 E:TRP94 4.5 19.8 1.0
O E:HOH244 4.5 28.2 1.0
OD2 E:ASP91 4.5 38.9 1.0
CB E:TRP94 4.8 26.3 1.0
CG E:ARG97 4.8 23.6 1.0
CD2 E:TRP94 4.9 26.3 1.0
NH1 E:ARG97 4.9 39.9 1.0

Chlorine binding site 10 out of 12 in 3hzn

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Chlorine binding site 10 out of 12 in the Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl225

b:66.8
occ:1.00
 N E:GLY166 3.6 33.3 1.0
O E:HOH795 4.0 16.3 0.5
CA E:GLY166 4.0 33.0 1.0
N E:GLU165 4.0 33.8 1.0
ND2 E:ASN71 4.1 38.3 1.0
CZ F:PHE124 4.2 77.1 1.0
O E:HOH353 4.2 47.2 1.0
CG2 E:ILE164 4.5 25.5 1.0
CA E:ILE164 4.5 31.1 1.0
CD1 E:ILE164 4.5 43.8 1.0
CE1 F:PHE124 4.6 75.0 1.0
OD1 E:ASN71 4.6 45.6 1.0
C E:GLU165 4.6 33.4 1.0
O E:PRO163 4.7 33.8 1.0
CG E:ASN71 4.8 39.2 1.0
C E:ILE164 4.8 33.7 1.0
CA E:GLU165 4.9 33.5 1.0
CE1 E:PHE70 4.9 40.0 1.0
CE2 F:PHE124 4.9 73.3 1.0
CZ E:PHE70 5.0 40.0 1.0
CB E:ILE164 5.0 32.8 1.0

Reference:

S.M.Anderson, Z.Wawrzak, O.Onopriyenko, T.Skarina, W.F.Anderson, A.Savchenko, Center For Structural Genomics Of Infectiousdiseases (Csgid). Structure of the Salmonella Typhimurium Nfnb Dihydropteridine Reductase To Be Published.
Page generated: Sat Jul 20 21:09:10 2024

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