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Chlorine in PDB 4c0z: The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa

Protein crystallography data

The structure of The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa, PDB code: 4c0z was solved by C.Linke-Winnebeck, N.Paterson, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.50 / 2.00
Space group P 31
Cell size a, b, c (Å), α, β, γ (°) 132.220, 132.220, 136.580, 90.00, 90.00, 120.00
R / Rfree (%) 20.13 / 23.2

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 14;

Binding sites:

The binding sites of Chlorine atom in the The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa (pdb code 4c0z). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 14 binding sites of Chlorine where determined in the The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa, PDB code: 4c0z:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 14 in 4c0z

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Chlorine binding site 1 out of 14 in the The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1221

b:27.5
occ:1.00
 ND1 B:HIS68 3.3 36.8 1.0
ND1 A:HIS68 3.3 36.7 1.0
N A:PHE69 3.4 23.6 1.0
N B:PHE69 3.5 22.9 1.0
CA A:HIS68 3.6 26.4 1.0
CA B:HIS68 3.7 26.6 1.0
CG A:HIS68 4.0 33.3 1.0
CB A:HIS68 4.0 27.6 1.0
CG B:HIS68 4.0 34.3 1.0
C A:HIS68 4.0 25.6 1.0
CD2 B:PHE69 4.1 29.8 1.0
CB B:HIS68 4.1 28.5 1.0
C B:HIS68 4.1 27.2 1.0
CE1 B:HIS68 4.2 37.4 1.0
CD2 A:PHE69 4.2 27.9 1.0
CE1 A:HIS68 4.3 37.3 1.0
CB B:PHE69 4.3 25.1 1.0
C5 A:SPD1223 4.3 24.2 1.0
CB A:PHE69 4.3 26.0 1.0
O B:HOH2041 4.4 51.2 1.0
N6 A:SPD1223 4.4 25.8 1.0
O A:HOH2047 4.4 49.5 1.0
CA A:PHE69 4.5 23.1 1.0
CA B:PHE69 4.5 23.3 1.0
O A:LYS67 4.5 27.0 1.0
C7 A:SPD1223 4.6 25.7 1.0
O B:LYS67 4.6 26.5 1.0
C4 A:SPD1223 4.6 22.3 1.0
CG B:PHE69 4.6 26.3 1.0
CG A:PHE69 4.7 26.9 1.0
N A:HIS68 4.8 26.8 1.0
N B:HIS68 4.8 27.2 1.0
O A:PHE69 5.0 26.5 1.0

Chlorine binding site 2 out of 14 in 4c0z

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Chlorine binding site 2 out of 14 in the The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1222

b:72.8
occ:1.00
 NE A:ARG121 3.3 69.7 1.0
OH A:TYR114 3.4 43.2 1.0
O A:HOH2070 3.5 37.8 1.0
NH2 A:ARG121 3.5 64.8 1.0
CZ A:ARG121 3.8 77.2 1.0
OH A:TYR218 3.9 55.0 1.0
O A:HOH2101 4.0 59.2 1.0
CD A:ARG121 4.4 59.9 1.0
CE1 A:TYR218 4.4 46.4 1.0
CZ A:TYR114 4.5 47.9 1.0
CZ A:TYR218 4.6 54.8 1.0
CG A:PRO195 4.7 47.3 1.0
CE1 A:TYR114 4.8 43.0 1.0

Chlorine binding site 3 out of 14 in 4c0z

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Chlorine binding site 3 out of 14 in the The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1221

b:78.6
occ:1.00
 NZ B:LYS83 3.0 66.9 1.0
OE2 B:GLU217 3.2 95.8 1.0
CD B:GLU217 3.8 94.6 1.0
CE B:LYS83 3.9 55.2 1.0
CZ B:PHE203 4.1 31.9 1.0
O B:HOH2065 4.2 37.3 1.0
CH2 B:TRP26 4.3 33.2 1.0
CD1 B:TYR58 4.3 40.9 1.0
CG B:GLU217 4.3 61.5 1.0
CD B:LYS83 4.3 43.6 1.0
CG B:TYR58 4.3 37.9 1.0
OG B:SER201 4.3 51.6 1.0
CE1 B:TYR58 4.3 43.0 1.0
CD2 B:TYR58 4.4 39.0 1.0
CZ B:TYR58 4.4 52.1 1.0
CE2 B:TYR58 4.5 41.5 1.0
OE1 B:GLU217 4.6 82.1 1.0
CZ2 B:TRP26 4.7 32.9 1.0
CB B:SER201 4.7 36.7 1.0
CE2 B:PHE203 4.7 34.2 1.0
CZ3 B:TRP26 4.8 31.8 1.0
CB B:GLU217 5.0 43.0 1.0
CB B:TYR58 5.0 34.3 1.0

Chlorine binding site 4 out of 14 in 4c0z

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Chlorine binding site 4 out of 14 in the The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1222

b:58.6
occ:1.00
 NE B:ARG121 3.1 88.0 1.0
NH2 B:ARG121 3.3 86.5 1.0
OH B:TYR114 3.5 58.1 1.0
OH B:TYR218 3.6 56.5 1.0
NE2 H:GLN107 3.6 94.2 1.0
CZ B:ARG121 3.6 97.4 1.0
CE1 B:TYR218 4.0 51.0 1.0
CZ B:TYR218 4.2 54.9 1.0
CD B:ARG121 4.3 81.8 1.0
CG B:PRO195 4.4 57.1 1.0
CZ B:TYR114 4.5 60.3 1.0
CE1 B:TYR114 4.7 50.0 1.0
CD H:GLN107 4.7 0.6 1.0
CG B:ARG121 4.8 73.3 1.0
NH1 B:ARG121 5.0 76.1 1.0

Chlorine binding site 5 out of 14 in 4c0z

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Chlorine binding site 5 out of 14 in the The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl1220

b:29.4
occ:1.00
 N D:PHE69 3.4 21.4 1.0
N C:PHE69 3.4 23.7 1.0
CD2 C:HIS68 3.5 34.1 1.0
CD2 D:HIS68 3.5 37.0 1.0
CA C:HIS68 3.6 24.7 1.0
CA D:HIS68 3.7 25.5 1.0
CG C:HIS68 4.0 31.8 1.0
CB C:HIS68 4.0 26.1 1.0
O C:HOH2056 4.0 37.7 1.0
C5 C:SPD1223 4.0 27.7 1.0
CG D:HIS68 4.0 34.7 1.0
CB D:HIS68 4.1 27.9 1.0
C D:HIS68 4.1 24.8 1.0
C C:HIS68 4.1 24.8 1.0
CD2 D:PHE69 4.1 26.1 1.0
CD2 C:PHE69 4.2 24.8 1.0
CB D:PHE69 4.3 24.4 1.0
CB C:PHE69 4.3 23.8 1.0
O D:HOH2049 4.3 45.0 1.0
CA D:PHE69 4.4 23.0 1.0
C7 C:SPD1223 4.5 23.8 1.0
CA C:PHE69 4.5 23.1 1.0
NE2 C:HIS68 4.5 34.7 1.0
NE2 D:HIS68 4.5 38.3 1.0
N6 C:SPD1223 4.5 25.3 1.0
C4 C:SPD1223 4.6 30.6 1.0
O D:LYS67 4.6 27.1 1.0
O C:LYS67 4.6 26.9 1.0
CG D:PHE69 4.6 25.8 1.0
CG C:PHE69 4.7 23.7 1.0
N C:HIS68 4.7 24.5 1.0
N D:HIS68 4.8 26.3 1.0
O D:PHE69 5.0 25.8 1.0
O C:PHE69 5.0 26.8 1.0

Chlorine binding site 6 out of 14 in 4c0z

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Chlorine binding site 6 out of 14 in the The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1220

b:69.2
occ:1.00
 OH E:TYR114 3.3 43.2 1.0
OH E:TYR218 3.6 58.4 1.0
NE E:ARG121 3.6 69.6 1.0
O E:HOH2046 3.7 57.5 1.0
NH2 E:ARG121 3.8 63.7 1.0
CE1 E:TYR218 3.9 52.3 1.0
CG E:PRO195 4.1 52.0 1.0
CZ E:ARG121 4.1 79.0 1.0
CZ E:TYR218 4.2 57.2 1.0
CZ E:TYR114 4.3 40.8 1.0
CE1 E:TYR114 4.5 30.6 1.0
CD E:PRO195 4.6 45.6 1.0
CD E:ARG121 4.6 63.8 1.0
CB E:PRO195 4.9 49.6 1.0

Chlorine binding site 7 out of 14 in 4c0z

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Chlorine binding site 7 out of 14 in the The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1221

b:37.8
occ:1.00
 N F:PHE69 3.4 32.9 1.0
CD2 F:HIS68 3.5 50.8 1.0
N E:PHE69 3.6 32.2 1.0
CA F:HIS68 3.6 37.2 1.0
CD2 E:HIS68 3.7 47.3 1.0
CA E:HIS68 3.8 35.3 1.0
C5 F:SPD1223 3.9 32.7 1.0
CG F:HIS68 4.0 47.5 1.0
C F:HIS68 4.0 38.2 1.0
CB F:HIS68 4.1 41.3 1.0
CD2 F:PHE69 4.1 37.8 1.0
CD2 E:PHE69 4.1 32.1 1.0
CG E:HIS68 4.2 44.4 1.0
CB E:HIS68 4.3 38.9 1.0
C E:HIS68 4.3 35.0 1.0
CB F:PHE69 4.3 34.7 1.0
CB E:PHE69 4.4 33.6 1.0
C4 F:SPD1223 4.4 31.5 1.0
CA F:PHE69 4.4 32.6 1.0
O F:LYS67 4.5 37.1 1.0
NE2 F:HIS68 4.5 52.0 1.0
C7 F:SPD1223 4.5 30.0 1.0
N6 F:SPD1223 4.5 30.1 1.0
CG F:PHE69 4.6 35.5 1.0
CA E:PHE69 4.6 32.9 1.0
O E:LYS67 4.6 33.5 1.0
NE2 E:HIS68 4.7 47.9 1.0
CG E:PHE69 4.7 31.8 1.0
N F:HIS68 4.7 35.6 1.0
N E:HIS68 4.9 34.7 1.0

Chlorine binding site 8 out of 14 in 4c0z

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Chlorine binding site 8 out of 14 in the The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1221

b:57.0
occ:1.00
 NE G:ARG121 3.6 69.4 1.0
OH G:TYR114 3.7 60.2 1.0
OH G:TYR218 3.8 54.4 1.0
CE1 G:TYR218 4.0 49.0 1.0
NH2 G:ARG121 4.1 64.7 1.0
CZ G:TYR218 4.3 52.5 1.0
CG G:PRO195 4.3 47.3 1.0
CZ G:ARG121 4.3 75.4 1.0
CD G:ARG121 4.5 59.5 1.0
CZ G:TYR114 4.8 57.6 1.0
CE1 G:TYR114 4.9 49.6 1.0
CD G:PRO195 5.0 41.4 1.0

Chlorine binding site 9 out of 14 in 4c0z

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Chlorine binding site 9 out of 14 in the The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1221

b:33.9
occ:1.00
 ND1 G:HIS68 3.2 40.4 1.0
ND1 H:HIS68 3.3 41.0 1.0
N G:PHE69 3.4 24.7 1.0
N H:PHE69 3.4 28.3 1.0
CA G:HIS68 3.6 27.5 1.0
CA H:HIS68 3.6 30.1 1.0
CG G:HIS68 4.0 36.9 1.0
CB H:HIS68 4.0 32.0 1.0
C G:HIS68 4.0 27.6 1.0
CB G:HIS68 4.1 30.8 1.0
CG H:HIS68 4.1 37.6 1.0
C H:HIS68 4.1 31.0 1.0
CD2 G:PHE69 4.1 30.9 1.0
CD2 H:PHE69 4.1 30.1 1.0
CE1 G:HIS68 4.2 42.6 1.0
C5 G:SPD1220 4.2 33.8 1.0
CB G:PHE69 4.3 28.1 1.0
CE1 H:HIS68 4.3 41.7 1.0
CB H:PHE69 4.4 28.7 1.0
N6 G:SPD1220 4.4 32.8 1.0
CA G:PHE69 4.5 25.9 1.0
CA H:PHE69 4.5 27.0 1.0
O H:LYS67 4.5 25.9 1.0
C7 G:SPD1220 4.5 32.5 1.0
C4 G:SPD1220 4.6 33.7 1.0
O G:LYS67 4.6 28.2 1.0
CG G:PHE69 4.6 29.4 1.0
CG H:PHE69 4.7 29.2 1.0
N G:HIS68 4.8 25.8 1.0
N H:HIS68 4.8 28.3 1.0
O H:PHE69 5.0 28.2 1.0

Chlorine binding site 10 out of 14 in 4c0z

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Chlorine binding site 10 out of 14 in the The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The N-Terminal Domain of the Streptococcus Pyogenes Pilus Tip Adhesin Cpa within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1222

b:82.4
occ:1.00
 ND2 H:ASN47 3.3 32.4 1.0
NZ H:LYS49 3.4 38.6 1.0
OH H:TYR117 3.7 42.1 1.0
CE H:LYS49 4.1 31.3 1.0
CG H:ASN47 4.3 32.1 1.0
OH H:TYR36 4.3 44.4 1.0
OD1 H:ASN47 4.3 37.2 1.0
O H:HOH2027 4.4 36.5 1.0
OE1 H:GLN59 4.6 34.2 1.0
CE1 H:TYR117 4.6 31.4 1.0
CZ H:TYR117 4.6 37.2 1.0
CE2 H:TYR36 4.8 43.5 1.0

Reference:

C.Linke-Winnebeck, N.G.Paterson, P.G.Young, M.J.Middleditch, D.R.Greenwood, G.Witte, E.N.Baker. Structural Model For the Covalent Adhesion of the Streptococcus Pyogenes Pilus Through A Thioester Bond. J.Biol.Chem. V. 289 177 2014.
ISSN: ISSN 0021-9258
PubMed: 24220033
DOI: 10.1074/JBC.M113.523761
Page generated: Sun Jul 21 10:41:43 2024

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