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Chlorine in PDB 6bie: Misreading Chaperone-Substrate Complexes From Random Noise

Protein crystallography data

The structure of Misreading Chaperone-Substrate Complexes From Random Noise, PDB code: 6bie was solved by J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.54 / 1.77
Space group P 41 2 2
Cell size a, b, c (Å), α, β, γ (°) 42.960, 42.960, 258.169, 90.00, 90.00, 90.00
R / Rfree (%) 17.5 / 24.8

Other elements in 6bie:

The structure of Misreading Chaperone-Substrate Complexes From Random Noise also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Zinc (Zn) 14 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Misreading Chaperone-Substrate Complexes From Random Noise (pdb code 6bie). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Misreading Chaperone-Substrate Complexes From Random Noise, PDB code: 6bie:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 6bie

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Chlorine binding site 1 out of 7 in the Misreading Chaperone-Substrate Complexes From Random Noise


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Misreading Chaperone-Substrate Complexes From Random Noise within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl210

b:30.5
occ:1.00
 ZN A:ZN209 2.2 32.2 1.0
HE1 B:PHE119 2.9 33.6 1.0
HD1 B:PHE119 3.0 30.2 1.0
HA A:ARG62 3.0 36.9 1.0
HB3 A:ARG61 3.0 38.6 1.0
HB2 A:HIS65 3.1 34.6 1.0
O A:HOH357 3.2 39.0 1.0
HG2 A:ARG62 3.2 49.2 1.0
N3 A:IMD217 3.3 28.2 0.8
OE1 B:GLU120 3.5 36.6 1.0
O A:ARG61 3.5 31.4 1.0
CE1 B:PHE119 3.6 33.6 1.0
C A:ARG61 3.6 32.6 1.0
CD1 B:PHE119 3.6 30.2 1.0
N A:ARG62 3.7 34.2 1.0
OE2 B:GLU120 3.7 34.5 1.0
CA A:ARG62 3.8 36.9 1.0
ND1 A:HIS65 3.8 34.2 1.0
CB A:ARG61 3.8 38.6 1.0
CB A:HIS65 3.9 34.6 1.0
HB2 A:ARG61 3.9 38.6 1.0
CD B:GLU120 4.0 35.2 1.0
CG A:ARG62 4.0 49.2 1.0
HA B:GLU120 4.0 36.5 1.0
HG3 A:ARG62 4.0 49.2 1.0
HB3 A:HIS65 4.1 34.6 1.0
C4 A:IMD217 4.1 28.5 0.8
C2 A:IMD217 4.2 29.0 0.8
H4 A:IMD217 4.2 28.5 0.8
H A:ARG62 4.2 34.2 1.0
CG A:HIS65 4.2 34.2 1.0
H2 A:IMD217 4.3 29.0 0.8
CA A:ARG61 4.4 34.4 1.0
HE A:ARG61 4.4 46.9 1.0
CB A:ARG62 4.5 40.5 1.0
O B:HOH336 4.6 37.1 1.0
H A:HIS65 4.7 29.8 1.0
HA A:ARG61 4.8 34.4 1.0
CE1 A:HIS65 4.8 34.3 1.0
HB3 A:ARG62 4.9 40.5 1.0
O B:PHE119 4.9 33.0 1.0
CZ B:PHE119 4.9 36.5 1.0
C A:ARG62 4.9 32.8 1.0
CG B:PHE119 4.9 30.7 1.0
NE A:ARG61 4.9 46.9 1.0
CA B:GLU120 5.0 36.5 1.0

Chlorine binding site 2 out of 7 in 6bie

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Chlorine binding site 2 out of 7 in the Misreading Chaperone-Substrate Complexes From Random Noise


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Misreading Chaperone-Substrate Complexes From Random Noise within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl211

b:62.5
occ:1.00
 ZN A:ZN201 2.2 32.9 1.0
H5 A:IMD215 2.8 26.9 0.8
O A:HOH339 3.3 41.8 1.0
OE1 A:GLU86 3.3 34.5 1.0
OE2 A:GLU86 3.4 32.6 1.0
CD A:GLU86 3.6 32.7 1.0
C5 A:IMD215 3.6 26.9 0.8
N1 A:IMD215 3.7 26.3 0.8
HB3 A:GLU86 4.4 31.4 1.0
CG A:GLU86 4.9 31.1 1.0
OE2 A:GLU87 4.9 58.6 1.0
O A:HOH403 5.0 64.9 1.0
C2 A:IMD215 5.0 26.5 0.8

Chlorine binding site 3 out of 7 in 6bie

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Chlorine binding site 3 out of 7 in the Misreading Chaperone-Substrate Complexes From Random Noise


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Misreading Chaperone-Substrate Complexes From Random Noise within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl212

b:62.4
occ:1.00
 ZN A:ZN207 2.5 43.0 1.0
OD2 A:ASP71 3.2 38.3 1.0
CL A:CL213 3.7 75.1 1.0
O A:HOH350 4.0 51.0 1.0
CG A:ASP71 4.5 40.6 1.0
OD1 A:ASP71 5.0 41.9 1.0

Chlorine binding site 4 out of 7 in 6bie

Go back to Chlorine Binding Sites List in 6bie
Chlorine binding site 4 out of 7 in the Misreading Chaperone-Substrate Complexes From Random Noise


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Misreading Chaperone-Substrate Complexes From Random Noise within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl213

b:75.1
occ:1.00
 ZN A:ZN207 2.1 43.0 1.0
OD2 A:ASP71 3.4 38.3 1.0
OD1 A:ASP71 3.5 41.9 1.0
O A:HOH337 3.5 61.2 1.0
CL A:CL212 3.7 62.4 1.0
CG A:ASP71 3.8 40.6 1.0
O A:HOH334 3.8 53.6 1.0
H A:ASP71 4.8 40.1 1.0

Chlorine binding site 5 out of 7 in 6bie

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Chlorine binding site 5 out of 7 in the Misreading Chaperone-Substrate Complexes From Random Noise


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Misreading Chaperone-Substrate Complexes From Random Noise within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl214

b:37.9
occ:1.00
 ZN A:ZN206 2.3 34.2 1.0
HN3 A:IMD216 2.7 34.9 1.0
HG2 B:ARG62 2.9 39.1 0.5
HD1 A:PHE119 2.9 40.7 1.0
HA B:ARG62 2.9 41.0 0.5
HG3 B:ARG61 2.9 60.1 1.0
HD1 B:HIS65 2.9 30.1 1.0
HA B:ARG62 3.0 41.7 0.5
HG3 B:ARG62 3.0 44.5 0.5
HE1 A:PHE119 3.1 43.1 1.0
HB2 B:HIS65 3.1 33.2 1.0
O A:HOH320 3.3 55.9 1.0
OE2 A:GLU120 3.4 35.5 1.0
N3 A:IMD216 3.5 34.9 1.0
O A:HOH343 3.5 59.2 1.0
CD1 A:PHE119 3.5 40.7 1.0
ND1 B:HIS65 3.6 30.1 1.0
CE1 A:PHE119 3.6 43.1 1.0
HG2 B:ARG61 3.6 60.1 1.0
CG B:ARG61 3.7 60.1 1.0
CG B:ARG62 3.7 39.1 0.5
CA B:ARG62 3.7 41.0 0.5
CB B:HIS65 3.8 33.2 1.0
CA B:ARG62 3.8 41.7 0.5
H4 A:IMD216 3.8 39.0 1.0
HB3 B:HIS65 3.8 33.2 1.0
HG3 B:ARG62 3.9 39.1 0.5
O B:ARG61 3.9 41.0 1.0
N B:ARG62 3.9 42.3 1.0
CG B:ARG62 4.0 44.5 0.5
C B:ARG61 4.0 45.6 1.0
C4 A:IMD216 4.0 39.0 1.0
CG B:HIS65 4.0 28.7 1.0
OE1 A:GLU120 4.1 44.7 1.0
CD A:GLU120 4.1 39.5 1.0
HA A:GLU120 4.1 39.5 1.0
HE B:ARG61 4.2 64.9 1.0
CB B:ARG62 4.3 43.4 0.5
HE B:ARG62 4.3 51.4 0.5
HE B:ARG62 4.3 46.1 0.5
HB3 B:ARG61 4.3 58.0 1.0
HG2 B:ARG62 4.4 44.5 0.5
H B:ARG62 4.5 42.3 1.0
CB B:ARG61 4.5 58.0 1.0
CB B:ARG62 4.5 45.5 0.5
CE1 B:HIS65 4.6 31.5 1.0
C2 A:IMD216 4.6 38.0 1.0
HB3 B:ARG62 4.6 43.4 0.5
NE B:ARG62 4.8 46.1 0.5
CD B:ARG61 4.8 69.1 1.0
O A:PHE119 4.8 44.9 1.0
NE B:ARG61 4.8 64.9 1.0
CD B:ARG62 4.8 41.6 0.5
NE B:ARG62 4.8 51.4 0.5
H B:HIS65 4.8 32.2 1.0
CG A:PHE119 4.9 38.5 1.0
CD B:ARG62 4.9 47.5 0.5
CA B:ARG61 4.9 51.6 1.0
HE1 B:HIS65 4.9 31.5 1.0
C B:ARG62 4.9 41.6 1.0
HD2 B:ARG62 4.9 47.5 0.5
CZ A:PHE119 5.0 41.6 1.0
HB3 A:PHE119 5.0 37.7 1.0
HD2 B:ARG61 5.0 69.1 1.0
H2 A:IMD216 5.0 38.0 1.0

Chlorine binding site 6 out of 7 in 6bie

Go back to Chlorine Binding Sites List in 6bie
Chlorine binding site 6 out of 7 in the Misreading Chaperone-Substrate Complexes From Random Noise


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Misreading Chaperone-Substrate Complexes From Random Noise within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl206

b:74.8
occ:1.00
 ZN B:ZN201 2.6 47.8 1.0
HE1 B:HIS96 2.8 40.7 1.0
HE2 B:HIS96 3.2 40.7 1.0
CE1 B:HIS96 3.5 40.7 1.0
HH11 B:ARG122 3.5 83.7 1.0
O B:THR124 3.6 50.9 1.0
O B:HOH322 3.6 64.3 1.0
OXT B:THR124 3.6 53.0 1.0
NE2 B:HIS96 3.6 40.7 1.0
OE1 B:GLN100 3.8 43.4 1.0
CD B:GLN100 3.8 40.1 1.0
HE B:ARG122 3.8 76.2 1.0
O B:HOH320 3.8 61.0 1.0
HE21 B:GLN100 3.9 42.3 1.0
NE2 B:GLN100 3.9 42.3 1.0
C B:THR124 4.0 50.6 1.0
HG3 B:GLN100 4.0 35.9 1.0
NH1 B:ARG122 4.1 83.7 1.0
CL B:CL207 4.2 49.7 1.0
HE22 B:GLN100 4.3 42.3 1.0
CG B:GLN100 4.5 35.9 1.0
NE B:ARG122 4.5 76.2 1.0
HH12 B:ARG122 4.5 83.7 1.0
CZ B:ARG122 4.7 80.3 1.0
ND1 B:HIS96 4.7 46.0 1.0
HG2 B:GLN100 4.8 35.9 1.0
CD2 B:HIS96 5.0 36.4 1.0

Chlorine binding site 7 out of 7 in 6bie

Go back to Chlorine Binding Sites List in 6bie
Chlorine binding site 7 out of 7 in the Misreading Chaperone-Substrate Complexes From Random Noise


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Misreading Chaperone-Substrate Complexes From Random Noise within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl207

b:49.7
occ:1.00
 ZN B:ZN201 2.2 47.8 1.0
HE2 B:HIS96 2.4 40.7 1.0
HH12 A:ARG61 2.8 48.0 1.0
HE1 A:MET64 2.9 43.8 1.0
HE2 B:PHE119 3.0 38.4 1.0
HE2 A:MET64 3.1 43.8 1.0
O B:HOH322 3.1 64.3 1.0
NE2 B:HIS96 3.2 40.7 1.0
OXT B:THR124 3.3 53.0 1.0
HD12 A:ILE68 3.3 37.8 1.0
HD13 A:ILE68 3.3 37.8 1.0
HG3 B:GLN100 3.4 35.9 1.0
CE A:MET64 3.4 43.8 1.0
HD2 B:HIS96 3.4 36.4 1.0
NH1 A:ARG61 3.6 48.0 1.0
HD11 A:ILE68 3.6 37.8 1.0
CD1 A:ILE68 3.6 37.8 1.0
CD2 B:HIS96 3.7 36.4 1.0
CE2 B:PHE119 3.7 38.4 1.0
O B:HOH320 3.7 61.0 1.0
O B:THR124 3.7 50.9 1.0
C B:THR124 3.8 50.6 1.0
HE3 A:MET64 3.8 43.8 1.0
HH11 A:ARG61 3.9 48.0 1.0
HZ B:PHE119 3.9 36.5 1.0
HH22 A:ARG61 4.1 48.4 1.0
CZ B:PHE119 4.1 36.5 1.0
CL B:CL206 4.2 74.8 1.0
CE1 B:HIS96 4.3 40.7 1.0
CG B:GLN100 4.4 35.9 1.0
CZ A:ARG61 4.5 46.2 1.0
HB3 A:MET64 4.6 34.2 1.0
HH11 B:ARG122 4.6 83.7 1.0
NH2 A:ARG61 4.6 48.4 1.0
HE1 B:HIS96 4.7 40.7 1.0
CD2 B:PHE119 4.7 36.6 1.0
HG2 B:MET97 4.7 29.3 1.0
HD2 B:PHE119 4.8 36.6 1.0
HG2 B:GLN100 4.8 35.9 1.0
HA B:THR124 4.9 57.4 1.0
HB2 B:GLN100 4.9 34.0 1.0
HB3 B:GLN100 4.9 34.0 1.0
SD A:MET64 4.9 49.1 1.0
CG B:HIS96 5.0 38.6 1.0
O B:HOH371 5.0 78.1 1.0
CA B:THR124 5.0 57.4 1.0
CD B:GLN100 5.0 40.1 1.0

Reference:

J.Wang, J.Wang. N/A N/A.
ISSN: ESSN 1545-9985
PubMed: 30297779
DOI: 10.1038/S41594-018-0144-3
Page generated: Fri Jul 26 22:50:50 2024

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