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Chlorine in PDB 4pib: Crystal Structure of Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis

Protein crystallography data

The structure of Crystal Structure of Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis, PDB code: 4pib was solved by Y.Kim, H.Li, S.Clancy, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.11 / 2.00
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.806, 84.868, 249.693, 90.00, 90.00, 90.00
R / Rfree (%) 18.1 / 22.4

Other elements in 4pib:

The structure of Crystal Structure of Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis also contains other interesting chemical elements:

Calcium (Ca) 31 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis (pdb code 4pib). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis, PDB code: 4pib:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 4pib

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Chlorine binding site 1 out of 7 in the Crystal Structure of Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis


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 Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:29.5
occ:1.00
 O C:HOH320 3.2 24.6 1.0
N C:GLY107 3.3 30.3 1.0
O A:HOH310 3.3 22.1 1.0
N A:GLY107 3.4 30.8 1.0
CA C:THR106 3.7 25.4 1.0
CA A:THR106 3.7 29.5 1.0
C C:THR106 4.0 29.7 1.0
CB A:THR106 4.0 31.4 1.0
C A:THR106 4.0 32.2 1.0
CB C:THR106 4.1 25.6 1.0
CA C:GLY107 4.3 30.6 1.0
CG2 C:THR106 4.3 24.9 1.0
O A:HOH331 4.3 35.2 1.0
CG2 A:THR106 4.3 32.2 1.0
CA A:GLY107 4.4 31.7 1.0
O A:LEU105 4.4 28.0 1.0
CG A:PRO114 4.5 32.3 1.0
O C:LEU105 4.5 25.5 1.0
CG C:PRO114 4.5 32.8 1.0
O A:HOH330 4.7 30.9 1.0
O C:GLY107 4.7 30.2 1.0
CD C:PRO114 4.8 32.8 1.0
O A:GLY107 4.8 33.9 1.0
CD A:PRO114 4.8 31.8 1.0
CB A:PRO114 4.8 32.2 1.0
CB C:PRO114 4.9 32.8 1.0
N C:THR106 4.9 24.3 1.0
N A:THR106 4.9 28.0 1.0
CA C:CA201 4.9 28.5 1.0
C C:GLY107 5.0 32.2 1.0

Chlorine binding site 2 out of 7 in 4pib

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Chlorine binding site 2 out of 7 in the Crystal Structure of Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis


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 Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:27.6
occ:1.00
 O B:HOH316 3.1 28.0 1.0
N B:GLY107 3.4 24.8 1.0
CA B:THR106 3.9 23.7 1.0
C B:THR106 4.1 23.7 1.0
CB B:THR106 4.3 27.5 1.0
O B:HOH311 4.4 26.8 1.0
CA B:GLY107 4.4 26.4 1.0
CG B:PRO114 4.4 26.6 1.0
CG2 B:THR106 4.5 28.5 1.0
O B:HOH312 4.5 26.8 1.0
O B:LEU105 4.5 22.2 1.0
O B:GLY107 4.6 28.6 1.0
CD B:PRO114 4.7 27.5 1.0
CA B:CA200 4.7 24.6 1.0
CB B:PRO114 4.8 28.3 1.0

Chlorine binding site 3 out of 7 in 4pib

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Chlorine binding site 3 out of 7 in the Crystal Structure of Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis


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 Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl201

b:20.1
occ:1.00
 N D:GLY107 3.2 18.5 1.0
O D:HOH330 3.2 20.3 1.0
N F:GLY107 3.3 15.6 1.0
O F:HOH314 3.3 16.7 1.0
CA D:THR106 3.6 17.0 1.0
CA F:THR106 3.6 18.5 1.0
CB D:THR106 3.8 19.1 1.0
C D:THR106 3.9 19.6 1.0
CB F:THR106 3.9 15.8 1.0
C F:THR106 4.0 20.7 1.0
CG2 D:THR106 4.1 17.5 1.0
CA D:GLY107 4.2 18.4 1.0
CG2 F:THR106 4.3 14.4 1.0
CA F:GLY107 4.3 16.2 1.0
CG F:PRO114 4.4 20.0 1.0
O F:LEU105 4.5 18.0 1.0
O D:LEU105 4.5 15.3 1.0
O F:HOH397 4.5 18.7 1.0
O F:HOH320 4.5 14.2 1.0
CG D:PRO114 4.6 13.7 1.0
O D:HOH346 4.6 22.2 1.0
O D:HOH350 4.6 17.4 1.0
O F:GLY107 4.6 20.6 1.0
O D:GLY107 4.7 20.7 1.0
CB F:PRO114 4.8 21.3 1.0
CD D:PRO114 4.8 14.1 1.0
CD F:PRO114 4.8 17.8 1.0
N D:THR106 4.8 12.6 1.0
N F:THR106 4.9 15.1 1.0
CB D:PRO114 4.9 13.3 1.0
CA D:CA200 4.9 18.9 1.0
C F:GLY107 5.0 18.8 1.0

Chlorine binding site 4 out of 7 in 4pib

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Chlorine binding site 4 out of 7 in the Crystal Structure of Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis


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 Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl202

b:27.0
occ:1.00
 O G:HOH315 3.2 19.2 1.0
O E:HOH327 3.3 24.6 1.0
N G:GLY107 3.4 27.9 1.0
N E:GLY107 3.4 24.4 1.0
CA G:THR106 3.8 23.0 1.0
CA E:THR106 3.8 22.6 1.0
C G:THR106 4.1 25.3 1.0
CB E:THR106 4.1 23.8 1.0
C E:THR106 4.1 23.4 1.0
CB G:THR106 4.1 24.4 1.0
CG2 E:THR106 4.3 21.7 1.0
CA G:GLY107 4.4 27.8 1.0
CA E:GLY107 4.4 24.8 1.0
CG2 G:THR106 4.4 18.8 1.0
O G:HOH370 4.5 26.3 1.0
O G:HOH352 4.5 20.7 1.0
O E:HOH360 4.5 29.2 1.0
CG G:PRO114 4.5 27.1 1.0
CG E:PRO114 4.5 21.9 1.0
O G:LEU105 4.5 23.9 1.0
O G:GLY107 4.6 29.7 1.0
O E:HOH372 4.6 25.8 1.0
O E:LEU105 4.6 23.1 1.0
CA E:CA201 4.7 22.7 1.0
CD E:PRO114 4.7 22.2 1.0
CD G:PRO114 4.7 24.2 1.0
CB G:PRO114 4.7 25.1 1.0
CB E:PRO114 4.9 24.6 1.0
O E:GLY107 4.9 25.1 1.0
C G:GLY107 5.0 28.2 1.0
N G:THR106 5.0 18.8 1.0

Chlorine binding site 5 out of 7 in 4pib

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Chlorine binding site 5 out of 7 in the Crystal Structure of Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis


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 Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl203

b:24.4
occ:1.00
 O F:HOH362 2.6 30.3 1.0
OG1 F:THR92 3.0 18.8 1.0
O F:HOH330 3.0 15.7 1.0
N F:VAL27 3.3 26.3 1.0
N F:THR92 3.5 16.7 1.0
O F:ILE25 3.6 19.8 1.0
CB F:SER91 3.7 15.8 1.0
CB F:VAL27 3.8 23.8 1.0
CB F:THR92 3.9 22.2 1.0
O E:HOH388 4.0 32.1 1.0
CA F:VAL27 4.1 24.7 1.0
CG2 F:VAL27 4.1 19.7 1.0
CA F:ASP26 4.1 20.1 1.0
C F:ASP26 4.1 25.2 1.0
CG2 F:THR92 4.1 18.5 1.0
N F:ALA28 4.1 28.6 1.0
CA F:THR92 4.2 17.4 1.0
CB F:TYR98 4.3 16.4 1.0
OD1 F:ASP26 4.3 23.3 1.0
CA F:SER91 4.3 17.4 1.0
C F:SER91 4.4 16.2 1.0
OG F:SER91 4.4 15.4 1.0
CD2 F:TYR98 4.4 20.2 1.0
N F:SER93 4.5 19.5 1.0
CG F:TYR98 4.6 18.8 1.0
C F:ILE25 4.6 17.8 1.0
O F:HOH375 4.6 25.1 1.0
C F:VAL27 4.7 27.8 1.0
C F:THR92 4.8 20.4 1.0
N F:ASP26 4.9 18.8 1.0
ND2 E:ASN20 4.9 19.5 1.0

Chlorine binding site 6 out of 7 in 4pib

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Chlorine binding site 6 out of 7 in the Crystal Structure of Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis


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 Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl201

b:40.3
occ:1.00
 O J:HOH313 2.9 22.8 1.0
O H:HOH321 3.1 24.0 1.0
N H:GLY107 3.3 29.9 1.0
N J:GLY107 3.4 47.2 1.0
CA J:THR106 3.8 42.9 1.0
CA H:THR106 3.8 28.6 1.0
C H:THR106 4.1 29.5 1.0
C J:THR106 4.1 44.7 1.0
CB H:THR106 4.1 30.1 1.0
CB J:THR106 4.2 43.6 1.0
O J:GLY107 4.2 43.2 1.0
CA H:GLY107 4.3 30.5 1.0
CA J:GLY107 4.4 45.8 1.0
O J:HOH337 4.4 26.9 1.0
CG2 H:THR106 4.4 30.6 1.0
CG J:PRO114 4.4 40.8 1.0
O H:HOH372 4.4 33.0 1.0
O H:HOH360 4.5 36.0 1.0
CG2 J:THR106 4.5 40.8 1.0
CD J:PRO114 4.6 40.4 1.0
O J:LEU105 4.6 33.9 1.0
CG H:PRO114 4.7 31.0 1.0
CA H:CA200 4.7 26.2 1.0
O H:GLY107 4.7 34.0 1.0
O H:LEU105 4.7 27.3 1.0
CB J:PRO114 4.8 39.2 1.0
C J:GLY107 4.8 44.7 1.0
CD H:PRO114 4.9 29.3 1.0
N J:THR106 5.0 37.1 1.0

Chlorine binding site 7 out of 7 in 4pib

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Chlorine binding site 7 out of 7 in the Crystal Structure of Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis


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 Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Cl203

b:33.5
occ:1.00
 O J:HOH332 2.8 26.2 1.0
OG1 J:THR92 3.0 29.4 1.0
N J:VAL27 3.4 46.2 1.0
N J:THR92 3.4 26.1 1.0
CB J:SER91 3.6 29.2 1.0
O J:ILE25 3.7 29.0 1.0
CB J:THR92 3.9 29.7 1.0
CB J:VAL27 4.0 45.8 1.0
CB J:TYR98 4.0 39.3 1.0
N J:ALA28 4.0 54.2 1.0
C J:ASP26 4.1 38.6 1.0
CA J:VAL27 4.1 49.4 1.0
CG2 J:THR92 4.1 24.0 1.0
CA J:ASP26 4.2 36.5 1.0
CA J:THR92 4.2 25.9 1.0
OG J:SER91 4.3 26.9 1.0
CA J:SER91 4.3 28.1 1.0
C J:SER91 4.3 26.7 1.0
CG2 J:VAL27 4.4 42.4 1.0
CG J:TYR98 4.4 42.1 1.0
CD2 J:TYR98 4.4 41.6 1.0
OD1 J:ASP26 4.4 43.3 1.0
N J:SER93 4.5 21.3 1.0
O J:HOH339 4.6 35.9 1.0
C J:VAL27 4.6 54.4 1.0
C J:ILE25 4.7 31.6 1.0
C J:THR92 4.8 21.0 1.0
CB J:ALA28 4.8 56.0 1.0
ND2 I:ASN20 4.9 31.0 1.0
N J:ASP26 4.9 31.9 1.0

Reference:

Y.Kim, H.Li, S.Clancy, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg). Crystal Structure of Uncharacterized Conserved Protein Pixa From Burkholderia Thailandensis To Be Published.
Page generated: Thu Jul 25 23:58:48 2024

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