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Chlorine in PDB 5v01: Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578

Protein crystallography data

The structure of Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578, PDB code: 5v01 was solved by D.Borek, Z.Wawrzak, S.Grimshaw, J.Sandoval, E.Evdokimova, A.Savchenko, W.F.Anderson, 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) 45.22 / 1.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 38.452, 90.433, 44.126, 90.00, 103.75, 90.00
R / Rfree (%) 12.4 / 16.1

Other elements in 5v01:

The structure of Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 (pdb code 5v01). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578, PDB code: 5v01:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 5v01

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Chlorine binding site 1 out of 10 in the Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578


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 the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:39.7
occ:1.00
 O A:HOH335 2.8 30.2 1.0
O B:ALA43 2.8 12.9 1.0
O A:HOH447 2.9 24.3 1.0
ND2 A:ASN40 2.9 13.2 1.0
C B:ALA43 3.6 11.1 1.0
N B:ALA47 3.7 12.5 1.0
CB B:ALA47 3.7 15.8 1.0
CA B:ALA43 3.8 11.1 1.0
CB B:ALA43 3.9 11.9 1.0
CA B:ALA47 4.0 14.0 1.0
O B:HOH429 4.0 34.5 1.0
CG A:ASN40 4.1 11.4 1.0
C B:CYS46 4.2 13.1 1.0
O A:HOH441 4.2 31.9 1.0
O A:THR37 4.3 12.1 1.0
CB B:CYS46 4.4 12.4 1.0
O B:HOH422 4.5 36.2 1.0
CA A:GLY38 4.6 11.8 1.0
OD1 A:ASN40 4.6 14.4 1.0
O A:HOH334 4.6 23.9 1.0
CG1 A:VAL151 4.7 16.3 1.0
CA B:CYS46 4.7 12.6 1.0
O A:HOH461 4.8 31.8 1.0
C A:THR37 4.8 11.3 1.0
N B:ALA44 4.8 10.6 1.0
O B:CYS46 4.9 14.4 1.0

Chlorine binding site 2 out of 10 in 5v01

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Chlorine binding site 2 out of 10 in the Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578


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 the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:24.6
occ:1.00
 OE1 A:GLU76 3.1 13.0 0.5
O A:HOH414 3.3 25.0 1.0
CD A:GLU76 3.5 26.3 0.5
CG A:GLU76 3.7 26.7 0.5
CD A:ARG74 3.9 17.6 1.0
CB A:GLU76 4.2 22.9 0.5
O A:HOH448 4.3 53.5 1.0
NE A:ARG74 4.3 19.3 1.0
OE2 A:GLU76 4.4 22.7 0.5
CB A:GLU76 4.5 17.0 0.5
CG A:ARG74 4.6 16.7 1.0
NH1 A:ARG74 4.6 20.6 1.0
CZ A:ARG74 4.6 18.3 1.0
CB A:ARG74 4.7 16.2 1.0

Chlorine binding site 3 out of 10 in 5v01

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Chlorine binding site 3 out of 10 in the Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578


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 the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:45.4
occ:1.00
 O B:HOH414 2.6 35.1 1.0
OG B:SER35 2.8 13.7 0.7
O B:PHE62 2.9 22.2 1.0
O B:HOH349 3.2 13.3 0.5
O B:HOH349 3.4 23.2 0.5
CE2 B:PHE62 3.5 17.7 1.0
CZ B:PHE62 3.5 17.9 1.0
CD2 B:PHE62 3.6 15.8 1.0
CE1 B:PHE62 3.6 18.5 1.0
CG B:PHE62 3.6 14.4 1.0
CD1 B:PHE62 3.7 14.4 1.0
CB B:SER35 3.7 13.5 0.3
OG B:SER35 3.8 15.9 0.3
C B:PHE62 3.9 14.6 1.0
O B:HOH472 3.9 37.8 1.0
N B:CYS36 3.9 12.6 1.0
CB B:SER35 3.9 12.4 0.7
O B:HOH372 4.0 28.0 1.0
CA B:PHE62 4.1 13.6 1.0
C B:SER35 4.1 12.6 0.3
C B:SER35 4.1 12.6 0.7
CA B:CYS36 4.3 13.5 1.0
CA B:SER35 4.4 12.0 0.3
CA B:SER35 4.4 11.3 0.7
O A:HOH476 4.5 29.2 1.0
CB B:PHE62 4.5 14.6 1.0
NZ B:LYS67 4.6 11.7 1.0
O B:SER35 4.6 13.1 0.3
O B:GLY110 4.6 12.0 1.0
O B:SER35 4.7 13.6 0.7
CB B:CYS36 4.7 16.2 1.0
O B:HOH396 4.8 18.6 1.0
O B:HOH350 4.9 18.6 1.0

Chlorine binding site 4 out of 10 in 5v01

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Chlorine binding site 4 out of 10 in the Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578


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 the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl203

b:0.1
occ:1.00
 CB B:ALA17 3.5 19.6 1.0
NH1 B:ARG21 3.9 29.2 1.0
NH2 B:ARG21 4.0 34.7 1.0
CA B:GLU14 4.2 25.7 1.0
CG B:GLU14 4.4 43.3 1.0
CZ B:ARG21 4.4 30.5 1.0
ND1 B:HIS13 4.5 48.2 1.0
CE1 B:HIS13 4.6 57.3 1.0
O B:GLU14 4.7 23.6 1.0
CB B:GLU14 4.7 31.6 1.0
O B:HIS13 4.9 23.0 1.0
CA B:ALA17 5.0 15.9 1.0
C B:GLU14 5.0 23.3 1.0

Chlorine binding site 5 out of 10 in 5v01

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Chlorine binding site 5 out of 10 in the Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578


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 the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl204

b:58.5
occ:1.00
 NE2 B:HIS81 2.9 18.3 1.0
O B:HOH357 3.4 33.7 1.0
CE1 B:HIS81 3.8 18.1 1.0
OE1 B:GLU76 3.8 36.4 1.0
CD2 B:HIS81 3.8 15.3 1.0
O B:HOH452 3.8 41.7 1.0
O B:HOH426 3.9 40.6 1.0
OE2 B:GLU76 4.2 32.1 1.0
CG1 B:VAL80 4.3 15.5 1.0
CD B:GLU76 4.5 27.7 1.0
CB B:VAL80 4.9 13.5 1.0
ND1 B:HIS81 4.9 16.2 1.0
CG B:HIS81 5.0 13.6 1.0

Chlorine binding site 6 out of 10 in 5v01

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Chlorine binding site 6 out of 10 in the Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578


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 the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl205

b:40.5
occ:1.00
 OE1 B:GLN72 2.5 28.8 1.0
O B:HOH445 2.6 40.0 1.0
O B:GLY95 2.8 10.1 1.0
O B:HOH381 3.0 29.3 1.0
CD B:GLN72 3.6 23.5 1.0
C B:GLY95 3.6 8.9 1.0
CA B:GLY95 3.8 9.3 1.0
N B:LEU99 3.8 11.4 1.0
CB B:ALA98 4.0 13.2 1.0
CB B:LEU99 4.0 13.2 1.0
NE2 B:GLN72 4.1 30.7 1.0
CA B:LEU99 4.2 11.7 1.0
C B:ALA98 4.5 10.8 1.0
O B:VAL70 4.6 14.4 1.0
O B:LEU71 4.7 12.2 1.0
CA B:ALA98 4.7 10.8 1.0
CG B:GLN72 4.8 19.6 1.0
N B:ILE96 4.8 8.6 1.0
C B:LEU71 4.9 11.6 1.0
CA B:LEU71 4.9 10.9 1.0

Chlorine binding site 7 out of 10 in 5v01

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Chlorine binding site 7 out of 10 in the Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578


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 the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl206

b:51.5
occ:1.00
 NH1 B:ARG26 2.5 32.9 0.5
O B:ALA22 3.0 16.0 1.0
CZ B:ARG26 3.4 37.3 0.5
CA B:ALA22 3.5 15.7 1.0
CD B:ARG26 3.5 29.1 0.5
CG B:ARG26 3.6 25.1 0.5
CG B:ARG26 3.6 22.9 0.5
C B:ALA22 3.6 13.3 1.0
NE B:ARG26 3.7 34.4 0.5
CB B:ALA22 3.8 16.9 1.0
NE B:ARG26 3.8 28.8 0.5
CB B:ALA25 3.8 16.8 1.0
O B:HOH416 3.8 40.3 1.0
O B:HOH454 4.0 38.8 1.0
CD B:ARG26 4.1 25.8 0.5
NH2 B:ARG26 4.4 42.1 0.5
N B:ARG26 4.6 15.8 0.5
N B:ARG26 4.6 15.9 0.5
CZ B:ARG26 4.7 30.0 0.5
N B:ALA22 4.8 14.2 1.0
CB B:ARG26 4.8 20.9 0.5
O B:ARG21 4.8 15.9 1.0
CB B:ARG26 4.8 20.0 0.5
CA B:ALA25 4.9 14.8 1.0
C B:ALA25 4.9 16.1 1.0
N B:LEU23 4.9 13.0 1.0

Chlorine binding site 8 out of 10 in 5v01

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Chlorine binding site 8 out of 10 in the Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578


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 the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl207

b:43.2
occ:1.00
 O B:ALA102 2.9 15.4 1.0
O B:HOH367 3.1 33.6 1.0
CA B:ARG133 3.5 10.5 1.0
CG B:ARG133 3.6 11.9 1.0
CB B:ARG133 3.9 12.1 1.0
CD2 B:LEU97 4.0 13.1 1.0
C B:ALA102 4.0 11.5 1.0
CA B:ASP103 4.1 9.9 1.0
CG B:LEU97 4.2 11.3 1.0
CD1 B:LEU97 4.2 13.4 1.0
O B:ASP103 4.2 10.6 1.0
N B:ARG133 4.2 10.5 1.0
C B:ARG133 4.5 11.4 1.0
C B:ASP103 4.5 9.1 1.0
N B:ASP103 4.5 10.4 1.0
O B:HOH382 4.6 28.4 1.0
CD B:ARG133 4.7 12.2 1.0
O B:ARG133 5.0 15.1 1.0
OD1 B:ASP103 5.0 17.7 1.0

Chlorine binding site 9 out of 10 in 5v01

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Chlorine binding site 9 out of 10 in the Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578


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 the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl208

b:72.0
occ:1.00
 NE2 B:GLN170 2.7 40.2 1.0
O B:ARG26 2.9 20.6 0.5
O B:ARG26 3.0 20.3 0.5
NE1 B:TRP28 3.7 21.5 1.0
CB B:ARG26 3.7 20.0 0.5
CA B:ARG26 3.7 18.4 0.5
C B:ARG26 3.7 17.0 0.5
C B:ARG26 3.8 16.9 0.5
O B:HOH303 3.8 32.3 1.0
CA B:ARG26 3.8 18.5 0.5
CB B:ARG26 3.8 20.9 0.5
CD B:GLN170 3.9 38.8 1.0
O B:HOH322 4.0 70.0 1.0
CG B:ARG26 4.3 25.1 0.5
CE2 B:TRP28 4.3 19.8 1.0
CG B:ARG26 4.4 22.9 0.5
CD1 B:TRP28 4.4 19.1 1.0
OE1 B:GLN170 4.5 47.7 1.0
CZ2 B:TRP28 4.6 24.0 1.0

Chlorine binding site 10 out of 10 in 5v01

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Chlorine binding site 10 out of 10 in the Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Competence Damage-Inducible Protein A (Coma) From Klebsiella Pneumoniae Subsp. Pneumoniae Mgh 78578 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl209

b:23.1
occ:1.00
 O B:HOH412 3.0 46.4 1.0
N B:ARG140 3.1 8.8 1.0
O B:HOH471 3.2 40.0 1.0
CA B:LYS139 3.8 9.8 1.0
CB B:ARG140 3.9 10.2 1.0
C B:LYS139 3.9 8.8 1.0
CD B:LYS139 4.0 14.8 1.0
CA B:ARG140 4.0 9.3 1.0
O B:ARG140 4.1 11.0 1.0
CH2 B:TRP127 4.2 12.0 1.0
CZ3 B:TRP127 4.3 11.9 1.0
NZ B:LYS139 4.3 23.4 1.0
CG B:LYS139 4.5 12.3 1.0
C B:ARG140 4.5 9.6 1.0
CB B:LYS139 4.7 10.8 1.0
CE B:LYS139 4.8 17.9 1.0
N B:LYS139 4.8 8.9 1.0
O B:THR138 4.9 11.3 1.0

Reference:

D.Borek, D.Borek, Z.Wawrzak, S.Grimshaw, J.Sandoval, E.Evdokimova, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). N/A N/A.
Page generated: Fri Jul 26 18:30:18 2024

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