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Bromine 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:

Chlorine (Cl) 7 atoms
Sodium (Na) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine 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 Bromine atom.
In total 3 binding sites of Bromine where determined in the Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution, PDB code: 4hc6:
Jump to Bromine binding site number: 1; 2; 3;

Bromine binding site 1 out of 3 in 4hc6

Go back to Bromine Binding Sites List in 4hc6
Bromine binding site 1 out of 3 in the Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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:Br211

b:20.9
occ:1.00
 NH1 A:ARG68 3.4 20.8 1.0
N A:VAL74 3.5 19.9 1.0
CA A:PRO73 3.6 19.8 1.0
CD A:ARG68 3.8 18.6 1.0
CA A:SER65 3.9 17.6 1.0
CB A:SER65 4.0 18.3 1.0
CZ3 A:TRP64 4.0 28.4 1.0
CB A:PRO73 4.0 20.3 1.0
C A:PRO73 4.1 20.3 1.0
N A:LEU75 4.1 22.0 1.0
CG A:LEU75 4.2 25.2 1.0
CG2 A:VAL74 4.2 21.5 1.0
CE3 A:TRP64 4.3 27.6 1.0
CZ A:ARG68 4.4 17.1 1.0
CA A:VAL74 4.5 21.0 1.0
NE A:ARG68 4.5 18.5 1.0
C A:VAL74 4.7 21.7 1.0
CD1 A:LEU75 4.7 27.4 1.0
CG A:ARG68 4.7 18.9 1.0
CB A:LEU75 4.7 23.5 1.0
CB A:ARG68 4.8 17.5 1.0
O A:SER65 4.8 17.6 1.0
N A:SER65 4.8 15.3 1.0
N A:PRO73 4.8 20.0 1.0
O A:ARG72 4.8 20.8 1.0
C A:SER65 4.9 17.1 1.0
CB A:VAL74 4.9 20.4 1.0
CH2 A:TRP64 4.9 27.0 1.0
CG A:PRO73 5.0 20.6 1.0

Bromine binding site 2 out of 3 in 4hc6

Go back to Bromine Binding Sites List in 4hc6
Bromine binding site 2 out of 3 in the Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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:Br212

b:24.7
occ:1.00
 O A:HOH326 3.2 17.0 1.0
N A:ARG81 3.7 19.4 1.0
CB A:ARG81 3.9 21.5 1.0
CG A:ARG81 3.9 23.9 1.0
CA A:ASP78 3.9 19.0 1.0
CB A:GLU29 4.0 41.1 1.0
CD A:ARG81 4.0 30.6 1.0
O A:ASP78 4.0 18.2 1.0
CB A:HIS80 4.1 17.8 1.0
CB A:ASP78 4.2 20.2 1.0
C A:ASP78 4.2 17.9 1.0
CG A:GLU29 4.3 43.5 1.0
CA A:ARG81 4.4 20.2 1.0
N A:HIS80 4.4 17.2 1.0
C A:HIS80 4.5 17.8 1.0
CB A:VAL26 4.5 28.8 1.0
CA A:HIS80 4.5 17.3 1.0
O A:VAL26 4.6 29.7 1.0
NE A:ARG81 4.6 34.9 1.0
CG1 A:VAL26 4.8 30.0 1.0
ND1 A:HIS80 5.0 19.9 1.0

Bromine binding site 3 out of 3 in 4hc6

Go back to Bromine Binding Sites List in 4hc6
Bromine binding site 3 out of 3 in the Mycobacterium Tuberculosis RV2523CE77A X-Ray Structure Solved with 1.8 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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:Br213

b:27.6
occ:1.00
 N A:VAL85 3.3 19.0 1.0
NH1 A:ARG53 3.3 39.6 1.0
CE A:LYS57 3.5 19.9 1.0
NZ A:LYS57 3.5 20.0 1.0
O A:HOH333 3.7 44.9 1.0
CD A:ARG53 3.8 30.4 1.0
CA A:GLU84 3.9 20.1 1.0
O A:VAL85 4.0 22.2 1.0
C A:GLU84 4.1 19.5 1.0
CB A:VAL85 4.1 20.6 1.0
CZ A:ARG53 4.1 39.0 1.0
CA A:VAL85 4.2 20.5 1.0
CB A:ARG53 4.2 17.2 1.0
CE1 A:PHE31 4.2 37.5 1.0
O A:ILE83 4.2 20.1 1.0
NE A:ARG53 4.3 36.8 1.0
CG A:GLU84 4.4 27.6 1.0
CG2 A:VAL85 4.4 22.2 1.0
C A:VAL85 4.5 21.0 1.0
CG A:ARG53 4.6 23.4 1.0
CB A:GLU84 4.6 22.3 1.0
CG A:LYS57 4.6 16.6 1.0
CD A:LYS57 4.7 18.2 1.0
CZ A:PHE31 4.9 35.9 1.0
O A:ARG53 4.9 15.3 1.0
N A:GLU84 5.0 19.1 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: Wed Jul 10 21:25:49 2024

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