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Chlorine in PDB 4lw9: Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg

Protein crystallography data

The structure of Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg, PDB code: 4lw9 was solved by F.S.Vago, K.Raghunathan, J.C.Jens, W.J.Wedemeyer, M.Bagdasarian, J.S.Brunzelle, D.N.Arvidson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.54 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 88.610, 70.015, 131.544, 90.00, 103.29, 90.00
R / Rfree (%) 20.2 / 24.5

Other elements in 4lw9:

The structure of Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg also contains other interesting chemical elements:

Zinc (Zn) 32 atoms
Platinum (Pt) 12 atoms
Calcium (Ca) 14 atoms
Sodium (Na) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg (pdb code 4lw9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg, PDB code: 4lw9:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 4lw9

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Chlorine binding site 1 out of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg


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 Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:40.6
occ:1.00
ND1 A:HIS143 1.8 39.0 1.0
CE1 A:HIS143 2.6 38.9 1.0
CG A:HIS143 2.9 37.4 1.0
CB A:HIS143 3.5 36.1 1.0
NE2 A:HIS143 3.8 38.0 1.0
CD2 A:HIS143 3.9 38.4 1.0
CA A:HIS143 4.6 35.0 1.0

Chlorine binding site 2 out of 9 in 4lw9

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Chlorine binding site 2 out of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg


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 Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl207

b:33.3
occ:0.25
PT B:PT206 3.1 37.4 0.2
CE B:MET49 3.2 33.0 1.0
CB B:MET49 3.4 23.1 1.0
CG B:MET49 3.6 27.9 1.0
O B:HOH354 3.7 31.6 1.0
OG1 A:THR38 3.8 21.8 1.0
SD B:MET49 4.1 31.9 1.0
CG2 A:THR38 4.3 21.0 1.0
O B:ASN45 4.3 17.6 1.0
CB A:THR38 4.3 21.0 1.0
O B:TYR84 4.4 30.9 1.0
CA B:ALA46 4.5 16.4 1.0
C B:ASN45 4.8 18.1 1.0
CG A:GLN34 4.8 21.6 1.0
CA B:MET49 4.8 19.8 1.0
CA A:LYS35 4.9 21.1 1.0
N B:ALA46 4.9 17.8 1.0
O A:GLN34 4.9 18.9 1.0

Chlorine binding site 3 out of 9 in 4lw9

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Chlorine binding site 3 out of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg


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 Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl207

b:34.6
occ:0.25
PT D:PT206 3.1 37.8 0.2
CE D:MET49 3.2 35.4 1.0
CB D:MET49 3.3 25.7 1.0
OG1 C:THR38 3.3 19.6 1.0
CG D:MET49 3.6 29.3 1.0
O D:ASN45 3.9 18.8 1.0
CB C:THR38 4.0 19.2 1.0
O D:HOH330 4.0 32.4 1.0
CG2 C:THR38 4.0 19.9 1.0
SD D:MET49 4.1 34.2 1.0
CA D:ALA46 4.3 17.4 1.0
CG C:GLN34 4.3 21.6 1.0
C D:ASN45 4.4 16.3 1.0
O C:GLN34 4.5 20.7 1.0
N D:ALA46 4.6 16.8 1.0
CA D:MET49 4.6 22.8 1.0
O D:TYR84 4.7 30.9 1.0
CA C:LYS35 4.8 20.3 1.0
OE1 C:GLN34 4.8 24.4 1.0
C C:GLN34 4.9 19.1 1.0
N D:MET49 4.9 21.1 1.0
N C:LYS35 5.0 20.5 1.0

Chlorine binding site 4 out of 9 in 4lw9

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Chlorine binding site 4 out of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg


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 Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl207

b:34.5
occ:0.25
PT E:PT206 2.4 32.5 0.2
CE E:MET49 3.1 37.6 1.0
SD E:MET49 3.5 38.8 1.0
NE E:ARG80 3.6 50.6 1.0
O E:TYR84 3.8 34.7 1.0
CD E:ARG80 3.9 49.7 1.0
CZ E:ARG80 3.9 51.1 1.0
CA E:TYR84 4.1 35.6 1.0
C E:TYR84 4.3 35.3 1.0
NH1 E:ARG80 4.3 51.4 1.0
NH2 E:ARG80 4.4 51.1 1.0
CD1 E:TYR84 4.4 35.0 1.0
O E:GLY83 4.5 37.7 1.0
O E:HOH315 4.6 34.0 1.0
CB E:TYR84 4.8 35.6 1.0
CL E:CL208 4.8 30.9 0.2
CG E:MET49 4.9 36.5 1.0
CB E:MET49 4.9 35.1 1.0

Chlorine binding site 5 out of 9 in 4lw9

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Chlorine binding site 5 out of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg


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 Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl208

b:30.9
occ:0.25
PT E:PT206 2.4 32.5 0.2
SD E:MET49 3.1 38.8 1.0
CG E:MET49 3.2 36.5 1.0
NH1 E:ARG80 3.3 51.4 1.0
NH2 E:ARG80 3.3 51.1 1.0
CB F:GLN34 3.5 48.1 1.0
CB E:MET49 3.6 35.1 1.0
CZ E:ARG80 3.7 51.1 1.0
CG F:GLN34 3.7 49.5 1.0
CA E:MET49 4.3 33.9 1.0
CE E:MET49 4.7 37.6 1.0
CD1 E:LEU52 4.8 40.9 1.0
O E:MET49 4.8 32.3 1.0
NE E:ARG80 4.8 50.6 1.0
CL E:CL207 4.8 34.5 0.2
CA F:GLN34 4.9 45.9 1.0
CD F:GLN34 4.9 51.0 1.0
C E:MET49 4.9 33.4 1.0

Chlorine binding site 6 out of 9 in 4lw9

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Chlorine binding site 6 out of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg


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 Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Cl205

b:44.4
occ:1.00
O K:HOH339 2.7 38.3 1.0
O K:HOH332 2.8 31.6 1.0
N K:LEU64 2.9 29.6 1.0
O K:HOH338 3.0 41.2 1.0
CA K:GLY63 3.3 31.0 1.0
C K:GLY63 3.6 28.7 1.0
CG K:LEU64 3.7 30.4 1.0
CB K:LEU64 3.8 30.3 1.0
CA K:LEU64 4.0 30.1 1.0
CB K:TYR99 4.0 24.9 1.0
O K:HOH324 4.0 33.8 1.0
O K:HOH334 4.2 50.9 1.0
CD1 K:LEU64 4.3 29.7 1.0
CD2 K:TYR99 4.6 22.7 1.0
N K:GLY63 4.6 32.0 1.0
CG K:TYR99 4.7 25.1 1.0
N K:GLU65 4.7 34.0 1.0
O K:THR60 4.8 32.1 1.0
O K:TYR97 4.8 29.4 1.0
O K:GLY63 4.8 28.0 1.0
N K:TYR99 4.8 27.1 1.0
C K:LEU64 4.9 30.7 1.0
CA K:TYR99 5.0 26.3 1.0
CD2 K:LEU64 5.0 28.6 1.0

Chlorine binding site 7 out of 9 in 4lw9

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Chlorine binding site 7 out of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg


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 Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Cl206

b:30.7
occ:0.25
O L:HOH360 3.0 48.2 1.0
OG1 L:THR38 3.3 29.2 1.0
CG2 L:THR38 3.6 26.3 1.0
CE K:MET49 3.7 43.5 1.0
PT K:PT207 3.7 46.0 0.2
CB K:MET49 3.7 35.1 1.0
CB L:THR38 3.8 25.7 1.0
O K:ASN45 3.8 21.8 1.0
CA K:ALA46 4.1 21.4 1.0
CG K:MET49 4.1 39.1 1.0
C K:ASN45 4.2 20.4 1.0
O K:TYR84 4.2 36.8 1.0
N K:ALA46 4.3 21.7 1.0
O L:GLN34 4.7 30.2 1.0
CG L:GLN34 4.7 29.9 1.0
SD K:MET49 4.7 42.6 1.0
O K:HOH315 4.7 24.8 1.0
CB K:ALA46 4.8 22.1 1.0
CB K:ASN45 4.8 22.2 1.0
OE1 L:GLN34 4.9 30.8 1.0

Chlorine binding site 8 out of 9 in 4lw9

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Chlorine binding site 8 out of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg


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 Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Cl203

b:45.6
occ:1.00
ND1 R:HIS143 1.7 47.0 1.0
CE1 R:HIS143 2.5 47.1 1.0
CG R:HIS143 2.9 44.8 1.0
CB R:HIS143 3.5 41.7 1.0
NE2 R:HIS143 3.7 48.1 1.0
CD2 R:HIS143 3.9 46.4 1.0
O C:HOH353 4.1 29.8 1.0
CA R:HIS143 4.6 38.9 1.0

Chlorine binding site 9 out of 9 in 4lw9

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Chlorine binding site 9 out of 9 in the Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg


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 Vibrio Cholera Major Pseudopilin Epsg within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Cl205

b:25.6
occ:0.25
PT R:PT204 2.4 27.2 0.2
CB R:MET49 3.2 26.7 1.0
CG R:MET49 3.2 30.4 1.0
CE R:MET49 3.5 33.8 1.0
SD R:MET49 3.5 35.2 1.0
OG1 Q:THR38 3.9 20.0 1.0
O R:ASN45 4.3 18.1 1.0
CG Q:GLN34 4.3 22.5 1.0
CA R:MET49 4.5 23.4 1.0
CB Q:THR38 4.6 21.0 1.0
CA Q:LYS35 4.7 23.4 1.0
N Q:LYS35 4.7 22.3 1.0
O Q:GLN34 4.7 21.8 1.0
C Q:GLN34 4.8 21.8 1.0
CG2 Q:THR38 4.8 22.6 1.0
CA R:ALA46 4.8 16.6 1.0
O R:TYR84 4.9 25.2 1.0
C R:ASN45 5.0 17.5 1.0
N R:MET49 5.0 20.2 1.0

Reference:

F.S.Vago, K.Raghunathan, J.C.Jens, W.J.Wedemeyer, M.Bagdasarian, J.S.Brunzelle, D.N.Arvidson. Crystal Structure of Vibrio Cholera Major Pseudopilin Epsg To Be Published.
Page generated: Wed Oct 28 11:54:58 2020

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