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Chlorine in PDB 4hc6: Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution

Enzymatic activity of Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution

All present enzymatic activity of Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution:
2.7.8.7;

Protein crystallography data

The structure of Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution, PDB code: 4hc6 was solved by H.-B.Kim, G.-W.Han, L.-W.Hung, C.T.Terwilliger, C.-Y.Kim, Integratedcenter For Structure And Function Innovation (Isfi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.58 / 1.80
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 73.272, 73.272, 73.272, 90.00, 90.00, 90.00
R / Rfree (%) 17.6 / 21.2

Other elements in 4hc6:

The structure of Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution also contains other interesting chemical elements:

Bromine (Br) 3 atoms
Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution (pdb code 4hc6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution, PDB code: 4hc6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 4hc6

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Chlorine binding site 1 out of 7 in the Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:11.3
occ:1.00
 OG A:SER113 3.2 12.8 1.0
N A:LEU114 3.5 12.9 1.0
O A:LEU114 3.7 15.4 1.0
CA A:SER113 3.7 11.9 1.0
CB A:SER113 3.8 11.9 1.0
CG A:PRO93 3.8 16.0 1.0
CD A:PRO93 3.9 16.9 1.0
C A:SER113 4.1 12.4 1.0
CA A:LEU114 4.5 13.8 1.0
C A:LEU114 4.5 14.4 1.0
O A:VAL112 4.7 11.9 1.0
CB A:LEU114 4.8 14.8 1.0
O A:HOH325 4.8 39.2 1.0
NA A:NA210 4.8 29.3 1.0
N A:SER113 5.0 12.1 1.0

Chlorine binding site 2 out of 7 in 4hc6

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Chlorine binding site 2 out of 7 in the Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:26.7
occ:1.00
 N A:MET89 3.3 25.4 1.0
CB A:ASP88 3.7 22.3 1.0
CB A:MET89 3.8 27.5 1.0
CA A:ASP88 4.0 22.6 1.0
C A:ASP88 4.2 24.1 1.0
CZ3 A:TRP90 4.2 25.8 1.0
CA A:MET89 4.2 26.8 1.0
CE3 A:TRP90 4.6 24.3 1.0
CG A:ASP88 4.6 19.2 1.0

Chlorine binding site 3 out of 7 in 4hc6

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Chlorine binding site 3 out of 7 in the Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:33.0
occ:1.00
 N A:SER12 3.1 18.4 1.0
CA A:VAL11 3.7 16.9 1.0
CB A:SER12 3.8 20.9 1.0
C A:VAL11 3.9 17.7 1.0
CA A:SER12 4.0 19.0 1.0
CG1 A:VAL11 4.3 15.8 1.0
O A:SER12 4.4 18.9 1.0
O A:LEU10 4.4 16.1 1.0
O A:HOH305 4.5 22.6 1.0
CB A:VAL11 4.5 16.9 1.0
C A:SER12 4.7 19.0 1.0
CB A:ASP15 4.7 26.3 1.0
OD2 A:ASP15 4.7 34.6 1.0
N A:VAL11 4.8 16.2 1.0
CG2 A:VAL11 4.9 14.3 1.0
OG A:SER12 5.0 22.3 1.0

Chlorine binding site 4 out of 7 in 4hc6

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Chlorine binding site 4 out of 7 in the Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:76.3
occ:1.00
 CD A:ARG36 3.0 36.0 1.0
NH1 A:ARG36 3.2 40.3 1.0
O A:PHE31 3.4 39.3 1.0
N A:PRO33 3.5 42.1 1.0
CG A:PRO33 3.5 42.8 1.0
CA A:PRO33 3.6 41.5 1.0
CA A:ALA28 3.7 37.8 1.0
CD A:PRO33 3.7 42.6 1.0
CB A:ALA28 3.7 38.0 1.0
C A:THR32 3.8 41.7 1.0
NE A:ARG36 3.9 37.5 1.0
CB A:PRO33 4.0 42.7 1.0
CZ A:ARG36 4.0 39.5 1.0
CG A:ARG36 4.1 34.5 1.0
O A:THR32 4.1 41.6 1.0
O A:ALA28 4.2 39.1 1.0
CA A:THR32 4.5 41.3 1.0
C A:PHE31 4.5 39.2 1.0
C A:ALA28 4.5 38.9 1.0
CB A:ARG36 4.7 35.5 1.0
N A:ALA28 4.8 35.6 1.0
C A:PRO33 4.9 41.1 1.0
N A:THR32 5.0 40.3 1.0

Chlorine binding site 5 out of 7 in 4hc6

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Chlorine binding site 5 out of 7 in the Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:34.1
occ:0.33
 N A:ALA77 3.7 20.9 1.0
CB A:ALA77 4.0 20.7 1.0
O A:HOH322 4.1 25.5 1.0
CA A:PRO76 4.3 22.2 1.0
CA A:ALA77 4.5 20.1 1.0
C A:PRO76 4.5 21.6 1.0
CB A:PRO76 4.9 23.0 1.0

Chlorine binding site 6 out of 7 in 4hc6

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Chlorine binding site 6 out of 7 in the Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:21.6
occ:1.00
 NE A:ARG68 3.3 18.5 1.0
O A:HOH361 3.6 49.6 1.0
NH2 A:ARG68 3.7 20.0 1.0
OE1 A:GLN71 3.8 37.0 1.0
CZ A:ARG68 4.0 17.1 1.0
O A:HOH308 4.1 26.1 1.0
CD A:ARG68 4.2 18.6 1.0
NE2 A:GLN71 4.4 30.8 1.0
CG A:ARG68 4.5 18.9 1.0
CD A:GLN71 4.5 29.5 1.0
CZ2 A:TRP64 4.8 25.1 1.0

Chlorine binding site 7 out of 7 in 4hc6

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Chlorine binding site 7 out of 7 in the Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:19.4
occ:1.00
 O A:HOH311 2.8 22.8 1.0
O A:HOH347 3.3 44.6 1.0
NZ A:LYS62 3.4 19.9 1.0
O A:HOH305 3.6 22.6 1.0
O A:HOH356 3.7 38.7 1.0
OD1 A:ASP9 3.8 17.6 1.0
CE A:LYS62 3.8 20.3 1.0
O A:HOH379 4.9 46.2 1.0

Reference:

H.-B.Kim, G.-W.Han, L.-W.Hung, C.T.Terwilliger, C.-Y.Kim. Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution To Be Published.
Page generated: Sun Jul 21 15:41:41 2024

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