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Chlorine in PDB 5onc: Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch

Enzymatic activity of Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch

All present enzymatic activity of Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch:
2.3.1.16;

Protein crystallography data

The structure of Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch, PDB code: 5onc was solved by C.Schaefer, J.Kuper, N.S.Sampson, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.17 / 2.19
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 120.289, 120.289, 206.030, 90.00, 90.00, 120.00
R / Rfree (%) 18.2 / 22.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch (pdb code 5onc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch, PDB code: 5onc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 5onc

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Chlorine binding site 1 out of 5 in the Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:44.5
occ:1.00
 OG A:SER354 2.9 34.5 1.0
N A:SER354 3.2 30.9 1.0
O A:HOH604 3.4 34.3 1.0
O A:HOH526 3.4 39.3 1.0
CB A:SER354 3.4 30.6 1.0
O A:CYS118 3.7 30.9 1.0
C A:CYS118 3.8 31.6 1.0
N A:GLY119 3.9 31.5 1.0
CA A:CYS351 3.9 33.1 1.0
CA A:SER354 3.9 30.3 1.0
O A:CYS351 3.9 27.5 1.0
CA A:GLY119 3.9 30.7 1.0
C A:CYS351 4.0 31.0 1.0
O A:GLY350 4.2 33.9 1.0
N A:GLY353 4.2 32.5 1.0
C A:GLY353 4.2 31.6 1.0
O A:GLY96 4.2 50.1 1.0
O A:HOH628 4.3 47.7 1.0
CA A:GLY353 4.3 29.4 1.0
ND2 A:ASN100 4.4 27.0 1.0
CA A:CYS118 4.5 29.4 1.0
CB A:CYS351 4.6 34.6 1.0
N A:THR352 4.6 28.6 1.0
N A:CYS118 4.8 28.1 1.0
CB A:ALA99 4.9 32.6 1.0
N A:CYS351 4.9 32.7 1.0
C A:GLY350 5.0 33.5 1.0

Chlorine binding site 2 out of 5 in 5onc

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Chlorine binding site 2 out of 5 in the Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl402

b:52.3
occ:1.00
 N A:PHE215 3.1 30.6 1.0
NH1 A:ARG212 3.2 40.6 0.5
NH2 A:ARG212 3.2 40.7 0.5
N A:ARG216 3.4 36.7 1.0
CZ A:ARG212 3.7 40.6 0.5
CG A:ARG216 3.8 50.3 1.0
CA A:PHE215 3.9 30.8 1.0
CB A:ARG216 3.9 42.2 1.0
CB A:PHE215 4.0 32.1 1.0
CA A:VAL214 4.0 32.1 1.0
C A:VAL214 4.0 31.9 1.0
CG1 A:VAL214 4.1 32.0 1.0
C A:PHE215 4.1 35.6 1.0
CA A:ARG216 4.2 38.6 1.0
CZ3 A:TRP20 4.2 41.1 1.0
CD A:ARG216 4.3 50.8 1.0
CE3 A:TRP20 4.5 36.8 1.0
CD1 A:PHE215 4.5 32.1 1.0
O A:ARG216 4.6 33.9 1.0
CB A:VAL214 4.7 31.7 1.0
O A:LEU213 4.7 34.7 1.0
CH2 A:TRP20 4.7 42.5 1.0
CG A:PHE215 4.8 31.6 1.0
C A:ARG216 4.9 32.8 1.0
NE A:ARG212 5.0 37.1 0.5

Chlorine binding site 3 out of 5 in 5onc

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Chlorine binding site 3 out of 5 in the Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:68.8
occ:1.00
 ND2 A:ASN315 2.9 43.6 1.0
N A:CYS377 3.3 41.8 1.0
CB A:ASN315 3.4 37.4 1.0
CB A:CYS377 3.5 60.2 1.0
CG A:ASN315 3.7 41.6 1.0
O A:HOH541 3.8 57.1 1.0
CA A:CYS377 4.0 54.8 1.0
CB A:MET376 4.0 45.2 1.0
CA A:MET376 4.2 42.0 1.0
C A:MET376 4.3 42.0 1.0
O A:HOH555 4.4 49.2 1.0
O A:ASN315 4.4 35.4 1.0
CB A:ALA317 4.5 44.4 1.0
O A:CYS377 4.6 56.4 1.0
CA A:ASN315 4.6 37.2 1.0
C A:ASN315 4.7 37.9 1.0
C A:CYS377 4.8 58.4 1.0
OD1 A:ASN315 4.9 42.0 1.0
N A:ALA317 5.0 38.9 1.0

Chlorine binding site 4 out of 5 in 5onc

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Chlorine binding site 4 out of 5 in the Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:67.2
occ:1.00
 N A:ALA26 3.0 26.2 1.0
O A:HOH579 3.4 40.5 1.0
CA A:SER124 3.6 50.8 1.0
N A:SER124 3.7 43.2 1.0
CA A:HIS25 3.7 29.3 1.0
C A:HIS25 3.8 29.2 1.0
CB A:ALA26 3.8 29.1 1.0
C A:MET123 3.8 43.7 1.0
CA A:ALA26 3.9 29.1 1.0
CD2 A:HIS25 3.9 38.0 1.0
CB A:SER124 4.0 52.3 1.0
O A:MET123 4.0 40.2 1.0
CG A:HIS25 4.0 33.6 1.0
O A:LEU24 4.3 31.6 1.0
NE2 A:HIS25 4.3 42.3 1.0
N A:MET123 4.3 41.6 1.0
CB A:HIS25 4.4 31.9 1.0
ND1 A:HIS25 4.5 38.3 1.0
CB A:ALA122 4.5 33.6 1.0
CA A:MET123 4.6 47.1 1.0
CE1 A:HIS25 4.7 37.9 1.0
N A:HIS25 4.8 27.5 1.0
C A:ALA122 4.8 38.5 1.0
OG A:SER124 4.9 55.9 1.0
C A:SER124 4.9 57.5 1.0
C A:LEU24 5.0 29.5 1.0
O A:HIS25 5.0 27.4 1.0

Chlorine binding site 5 out of 5 in 5onc

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Chlorine binding site 5 out of 5 in the Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:73.3
occ:1.00
 OG B:SER354 2.9 69.0 1.0
N B:SER354 3.3 67.5 1.0
CB B:SER354 3.4 69.2 1.0
O B:CYS118 3.7 60.1 1.0
C B:CYS118 3.7 67.6 1.0
N B:GLY119 3.7 61.9 1.0
CA B:CYS351 3.8 74.5 1.0
O B:CYS351 3.8 68.4 1.0
CA B:GLY119 3.8 64.4 1.0
C B:CYS351 3.9 73.4 1.0
CA B:SER354 3.9 68.3 1.0
N B:GLY353 4.1 70.8 1.0
O B:GLY350 4.2 67.5 1.0
C B:GLY353 4.2 73.4 1.0
CA B:GLY353 4.3 71.0 1.0
O B:GLY96 4.3 70.8 1.0
CA B:CYS118 4.4 71.4 1.0
ND2 B:ASN100 4.5 58.6 1.0
CB B:CYS351 4.5 79.4 1.0
N B:THR352 4.5 71.3 1.0
N B:CYS118 4.8 70.8 1.0
N B:CYS351 4.9 74.8 1.0
C B:THR352 5.0 72.8 1.0
C B:GLY350 5.0 70.6 1.0

Reference:

R.Lu, C.M.Schaefer, N.M.Nesbitt, J.Kuper, C.Kisker, N.S.Sampson. Catabolism of the Cholesterol Side Chain in Mycobacterium Tuberculosis Is Controlled By A Redox-Sensitive Thiol Switch. Acs Infect Dis V. 3 666 2017.
ISSN: ESSN 2373-8227
PubMed: 28786661
DOI: 10.1021/ACSINFECDIS.7B00072
Page generated: Fri Jul 26 14:38:27 2024

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