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Zinc in PDB 3hug: Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl, PDB code: 3hug was solved by K.G.Thakur, B.Gopal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.88 / 2.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 83.070, 166.770, 178.870, 90.00, 90.00, 90.00
R / Rfree (%) 21.1 / 26

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl (pdb code 3hug). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 10 binding sites of Zinc where determined in the Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl, PDB code: 3hug:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 10 in 3hug

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Zinc binding site 1 out of 10 in the Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn109

b:42.3
occ:1.00
 NE2 B:HIS50 1.9 59.4 1.0
SG B:CYS54 2.1 56.9 1.0
SG B:CYS57 2.3 46.9 1.0
CE1 B:HIS50 2.5 59.2 1.0
NE2 B:HIS25 2.7 67.9 1.0
CD2 B:HIS25 3.0 68.8 1.0
CD2 B:HIS50 3.1 59.4 1.0
CB B:CYS54 3.1 59.1 1.0
CB B:CYS57 3.3 49.4 1.0
ND1 B:HIS50 3.8 59.1 1.0
CE1 B:HIS25 3.9 68.9 1.0
N B:CYS57 4.0 52.0 1.0
CG B:HIS50 4.0 58.6 1.0
CA B:CYS57 4.2 49.9 1.0
CB B:TYR27 4.3 59.4 1.0
CG B:HIS25 4.3 68.8 1.0
CA B:CYS54 4.5 59.4 1.0
O B:CYS54 4.5 59.5 1.0
ND1 B:HIS25 4.7 69.1 1.0
N B:ALA28 4.8 55.6 1.0
C B:CYS54 4.9 59.4 1.0
CB B:GLU56 4.9 56.7 1.0

Zinc binding site 2 out of 10 in 3hug

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Zinc binding site 2 out of 10 in the Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn109

b:41.6
occ:1.00
 NE2 D:HIS50 1.8 48.6 1.0
SG D:CYS54 2.3 55.6 1.0
SG D:CYS57 2.3 48.5 1.0
NE2 D:HIS25 2.5 67.0 1.0
CE1 D:HIS50 2.7 48.4 1.0
CD2 D:HIS25 2.8 67.5 1.0
CD2 D:HIS50 2.9 48.6 1.0
CB D:CYS54 3.1 56.1 1.0
CB D:CYS57 3.3 49.1 1.0
CE1 D:HIS25 3.8 67.7 1.0
ND1 D:HIS50 3.9 47.9 1.0
CG D:HIS50 4.0 47.8 1.0
N D:CYS57 4.0 50.5 1.0
CG D:HIS25 4.2 68.2 1.0
CA D:CYS57 4.3 49.2 1.0
CB D:TYR27 4.3 54.0 1.0
ND1 D:HIS25 4.6 68.4 1.0
CA D:CYS54 4.6 56.1 1.0
N D:ALA28 4.9 50.9 1.0
O D:CYS54 5.0 56.2 1.0
C D:TYR27 5.0 52.8 1.0

Zinc binding site 3 out of 10 in 3hug

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Zinc binding site 3 out of 10 in the Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Zn109

b:47.5
occ:1.00
 NE2 F:HIS50 1.9 50.9 1.0
SG F:CYS54 2.1 63.1 1.0
NE2 F:HIS25 2.2 71.2 1.0
CE1 F:HIS25 2.3 71.2 1.0
SG F:CYS57 2.3 50.3 1.0
CE1 F:HIS50 2.7 51.2 1.0
CD2 F:HIS50 3.1 49.8 1.0
CB F:CYS57 3.2 52.8 1.0
CB F:CYS54 3.4 61.9 1.0
CD2 F:HIS25 3.6 71.8 1.0
ND1 F:HIS25 3.6 71.2 1.0
N F:CYS57 3.8 54.1 1.0
ND1 F:HIS50 3.9 49.8 1.0
CG F:HIS50 4.1 49.1 1.0
CA F:CYS57 4.1 53.1 1.0
CG F:HIS25 4.2 71.2 1.0
CB F:TYR27 4.6 60.7 1.0
CA F:CYS54 4.8 61.5 1.0
O F:CYS54 4.9 61.2 1.0
CB F:GLU56 4.9 56.7 1.0
C F:GLU56 4.9 55.4 1.0
CG F:GLU56 4.9 70.9 0.0

Zinc binding site 4 out of 10 in 3hug

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Zinc binding site 4 out of 10 in the Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Zn109

b:47.5
occ:1.00
 NE2 H:HIS50 1.8 51.6 1.0
SG H:CYS54 2.1 54.4 1.0
CE1 H:HIS25 2.1 70.6 1.0
SG H:CYS57 2.2 50.6 1.0
NE2 H:HIS25 2.3 70.0 1.0
CE1 H:HIS50 2.7 51.8 1.0
CD2 H:HIS50 2.9 51.8 1.0
CB H:CYS54 3.2 55.4 1.0
CB H:CYS57 3.3 51.9 1.0
ND1 H:HIS25 3.4 71.1 1.0
CD2 H:HIS25 3.7 69.7 1.0
ND1 H:HIS50 3.9 52.7 1.0
CG H:HIS50 4.0 52.0 1.0
N H:CYS57 4.1 52.5 1.0
CG H:HIS25 4.2 69.7 1.0
CA H:CYS57 4.3 51.6 1.0
CG H:GLU56 4.4 58.8 1.0
CB H:TYR27 4.5 57.8 1.0
CA H:CYS54 4.6 55.5 1.0
O H:CYS54 4.6 56.3 1.0
C H:CYS54 4.9 56.0 1.0
N H:ALA28 5.0 54.8 1.0

Zinc binding site 5 out of 10 in 3hug

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Zinc binding site 5 out of 10 in the Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Zn109

b:42.1
occ:1.00
 NE2 J:HIS50 2.0 52.0 1.0
SG J:CYS57 2.2 44.9 1.0
CE1 J:HIS25 2.3 65.2 1.0
NE2 J:HIS25 2.3 64.4 1.0
SG J:CYS54 2.3 52.1 1.0
CE1 J:HIS50 2.9 51.3 1.0
CD2 J:HIS50 3.0 51.3 1.0
CB J:CYS54 3.2 52.0 1.0
CB J:CYS57 3.2 46.0 1.0
ND1 J:HIS25 3.6 66.2 1.0
CD2 J:HIS25 3.7 65.5 1.0
ND1 J:HIS50 4.0 50.2 1.0
N J:CYS57 4.0 46.5 1.0
CG J:HIS50 4.1 49.4 1.0
CA J:CYS57 4.2 45.7 1.0
CG J:HIS25 4.3 65.9 1.0
CB J:TYR27 4.4 54.9 1.0
O J:CYS54 4.6 52.5 1.0
CA J:CYS54 4.7 52.3 1.0
C J:CYS54 5.0 52.0 1.0

Zinc binding site 6 out of 10 in 3hug

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Zinc binding site 6 out of 10 in the Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Zn110

b:42.9
occ:1.00
 NE2 L:HIS50 1.7 50.2 1.0
SG L:CYS54 2.2 52.9 1.0
SG L:CYS57 2.3 44.0 1.0
NE2 L:HIS25 2.4 65.7 1.0
CE1 L:HIS50 2.5 49.6 1.0
CD2 L:HIS50 2.9 49.4 1.0
CD2 L:HIS25 2.9 67.4 1.0
CB L:CYS54 3.3 53.8 1.0
CB L:CYS57 3.4 45.6 1.0
ND1 L:HIS50 3.7 50.3 1.0
CE1 L:HIS25 3.7 66.8 1.0
CG L:HIS50 3.9 49.6 1.0
N L:CYS57 4.1 46.9 1.0
CG L:HIS25 4.3 68.1 1.0
CA L:CYS57 4.3 46.1 1.0
CB L:TYR27 4.4 56.4 1.0
ND1 L:HIS25 4.6 67.7 1.0
CA L:CYS54 4.7 54.1 1.0
N L:ALA28 4.9 52.8 1.0
O L:CYS54 4.9 54.4 1.0

Zinc binding site 7 out of 10 in 3hug

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Zinc binding site 7 out of 10 in the Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl within 5.0Å range:
probe atom residue distance (Å) B Occ
N:Zn109

b:43.0
occ:1.00
 NE2 N:HIS50 1.7 44.6 1.0
NE2 N:HIS25 2.0 69.9 1.0
SG N:CYS57 2.1 44.9 1.0
SG N:CYS54 2.4 52.1 1.0
CE1 N:HIS50 2.5 43.4 1.0
CE1 N:HIS25 2.7 69.6 1.0
CD2 N:HIS50 2.9 44.1 1.0
CD2 N:HIS25 3.1 70.1 1.0
CB N:CYS54 3.2 51.4 1.0
CB N:CYS57 3.2 45.0 1.0
ND1 N:HIS50 3.7 43.4 1.0
ND1 N:HIS25 3.9 69.3 1.0
CG N:HIS50 3.9 44.4 1.0
N N:CYS57 4.0 45.7 1.0
CG N:HIS25 4.1 70.0 1.0
CA N:CYS57 4.2 45.2 1.0
CB N:TYR27 4.6 55.9 1.0
CA N:CYS54 4.7 51.5 1.0
N N:ALA28 5.0 52.6 1.0

Zinc binding site 8 out of 10 in 3hug

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Zinc binding site 8 out of 10 in the Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl within 5.0Å range:
probe atom residue distance (Å) B Occ
P:Zn110

b:39.0
occ:1.00
 NE2 P:HIS50 1.9 43.1 1.0
NE2 P:HIS25 2.1 68.1 1.0
SG P:CYS54 2.1 49.6 1.0
SG P:CYS57 2.2 45.0 1.0
CE1 P:HIS25 2.7 68.4 1.0
CE1 P:HIS50 2.7 44.1 1.0
CD2 P:HIS50 3.0 43.7 1.0
CB P:CYS54 3.2 51.1 1.0
CB P:CYS57 3.3 47.4 1.0
CD2 P:HIS25 3.3 67.4 1.0
ND1 P:HIS50 3.9 44.0 1.0
N P:CYS57 3.9 48.5 1.0
ND1 P:HIS25 4.0 68.0 1.0
CG P:HIS50 4.0 44.7 1.0
CA P:CYS57 4.2 47.6 1.0
CG P:HIS25 4.2 66.5 1.0
CB P:TYR27 4.5 53.2 1.0
CA P:CYS54 4.6 51.3 1.0
CG P:GLU56 4.7 62.9 0.0
O P:CYS54 4.8 51.8 1.0
N P:ALA28 4.9 50.3 1.0
C P:GLU56 5.0 49.1 1.0

Zinc binding site 9 out of 10 in 3hug

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Zinc binding site 9 out of 10 in the Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl within 5.0Å range:
probe atom residue distance (Å) B Occ
R:Zn109

b:40.5
occ:1.00
 NE2 R:HIS50 1.9 45.3 1.0
SG R:CYS54 2.1 49.4 1.0
SG R:CYS57 2.3 45.5 1.0
NE2 R:HIS25 2.3 63.5 1.0
CE1 R:HIS50 2.7 45.5 1.0
CD2 R:HIS50 3.0 45.7 1.0
CE1 R:HIS25 3.3 64.1 1.0
CD2 R:HIS25 3.3 63.3 1.0
CB R:CYS54 3.3 51.2 1.0
CB R:CYS57 3.3 44.8 1.0
ND1 R:HIS50 3.9 45.9 1.0
CG R:HIS50 4.1 46.8 1.0
N R:CYS57 4.1 45.8 1.0
CA R:CYS57 4.3 44.6 1.0
ND1 R:HIS25 4.4 64.1 1.0
CG R:HIS25 4.4 63.4 1.0
CB R:TYR27 4.5 52.3 1.0
CA R:CYS54 4.7 51.6 1.0
O R:CYS54 4.9 52.0 1.0
CB R:GLU56 5.0 47.4 1.0

Zinc binding site 10 out of 10 in 3hug

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Zinc binding site 10 out of 10 in the Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of Mycobacterium Tuberculosis Anti-Sigma Factor Rsla in Complex with -35 Promoter Binding Domain of Sigl within 5.0Å range:
probe atom residue distance (Å) B Occ
T:Zn109

b:38.5
occ:1.00
 NE2 T:HIS50 2.0 48.6 1.0
NE2 T:HIS25 2.1 65.0 1.0
SG T:CYS57 2.2 42.4 1.0
SG T:CYS54 2.3 48.8 1.0
CE1 T:HIS25 2.4 65.2 1.0
CE1 T:HIS50 2.9 48.1 1.0
CD2 T:HIS50 3.1 47.9 1.0
CB T:CYS57 3.3 44.8 1.0
CB T:CYS54 3.4 51.6 1.0
CD2 T:HIS25 3.4 65.1 1.0
ND1 T:HIS25 3.7 64.7 1.0
N T:CYS57 3.9 46.8 1.0
ND1 T:HIS50 4.1 46.8 1.0
CA T:CYS57 4.1 45.2 1.0
CG T:HIS25 4.2 64.0 1.0
CG T:HIS50 4.2 47.2 1.0
CB T:TYR27 4.5 48.4 1.0
CA T:CYS54 4.8 52.1 1.0
N T:ALA28 5.0 45.2 1.0
C T:GLU56 5.0 48.8 1.0
O T:CYS54 5.0 52.2 1.0

Reference:

K.G.Thakur, T.Praveena, B.Gopal. Structural and Biochemical Bases For the Redox Sensitivity of Mycobacterium Tuberculosis Rsla J.Mol.Biol. V. 397 1199 2010.
ISSN: ISSN 0022-2836
PubMed: 20184899
DOI: 10.1016/J.JMB.2010.02.026
Page generated: Sat Oct 26 06:43:28 2024

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