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Zinc in PDB 5uhe: Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with D-AAP1

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with D-AAP1

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with D-AAP1:
2.7.7.6;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with D-AAP1, PDB code: 5uhe was solved by W.Lin, K.Das, Y.Feng, R.H.Ebright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.27 / 4.04
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 151.531, 162.155, 195.681, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 25.9

Other elements in 5uhe:

The structure of Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with D-AAP1 also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with D-AAP1 (pdb code 5uhe). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with D-AAP1, PDB code: 5uhe:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 5uhe

Go back to Zinc Binding Sites List in 5uhe
Zinc binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with D-AAP1


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 Transcription Initiation Complex in Complex with D-AAP1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn1401

b:51.4
occ:1.00
SG D:CYS978 2.1 89.4 1.0
SG D:CYS891 2.2 43.4 1.0
SG D:CYS968 2.3 50.2 1.0
CB D:CYS968 2.3 52.9 1.0
SG D:CYS975 2.3 57.5 1.0
CB D:CYS891 2.6 58.6 1.0
CB D:CYS975 3.3 54.8 1.0
CB D:CYS978 3.5 58.2 1.0
CA D:CYS968 3.7 56.2 1.0
N D:CYS891 3.7 65.1 1.0
CA D:CYS891 3.7 62.4 1.0
N D:CYS975 4.1 52.7 1.0
C D:CYS968 4.1 53.0 1.0
CA D:CYS975 4.2 51.6 1.0
N D:CYS978 4.3 54.3 1.0
NH2 D:ARG963 4.4 62.1 1.0
OG1 D:THR970 4.4 53.9 1.0
O D:CYS968 4.5 45.4 1.0
CA D:CYS978 4.5 58.3 1.0
N D:ALA969 4.7 54.3 1.0
C D:CYS975 4.7 55.8 1.0
N D:CYS968 4.8 56.5 1.0
C D:CYS891 4.8 63.3 1.0
C D:ASP890 4.9 61.9 1.0
NE D:ARG963 4.9 65.9 1.0
O D:CYS975 5.0 55.5 1.0

Zinc binding site 2 out of 2 in 5uhe

Go back to Zinc Binding Sites List in 5uhe
Zinc binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Transcription Initiation Complex in Complex with D-AAP1


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 Transcription Initiation Complex in Complex with D-AAP1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn1402

b:45.4
occ:1.00
SG D:CYS60 2.2 40.9 1.0
SG D:CYS78 2.3 51.6 1.0
SG D:CYS62 2.3 42.2 1.0
SG D:CYS75 2.3 37.4 1.0
N D:CYS62 3.5 50.7 1.0
CB D:CYS75 3.5 45.6 1.0
CB D:CYS62 3.6 51.4 1.0
CB D:CYS60 3.9 46.1 1.0
CA D:CYS62 4.0 52.6 1.0
CB D:CYS78 4.0 52.9 1.0
N D:CYS78 4.1 59.5 1.0
N D:TYR61 4.2 46.4 1.0
C D:CYS62 4.3 51.0 1.0
CB D:LYS64 4.4 56.9 1.0
N D:GLY63 4.4 52.5 1.0
CB D:ARG77 4.5 50.1 1.0
N D:LYS64 4.5 56.0 1.0
CA D:CYS78 4.5 54.6 1.0
C D:TYR61 4.5 47.4 1.0
C D:CYS60 4.6 48.2 1.0
C D:ARG77 4.6 59.2 1.0
CA D:TYR61 4.8 47.8 1.0
N D:ARG77 4.8 47.9 1.0
CA D:ARG77 4.9 51.2 1.0
CA D:CYS75 4.9 51.9 1.0
CA D:CYS60 4.9 48.7 1.0
C D:CYS78 5.0 50.2 1.0
CB D:TYR61 5.0 47.0 1.0
CD2 D:TYR65 5.0 57.5 1.0

Reference:

W.Lin, S.Mandal, D.Degen, Y.Liu, Y.W.Ebright, S.Li, Y.Feng, Y.Zhang, S.Mandal, Y.Jiang, S.Liu, M.Gigliotti, M.Talaue, N.Connell, K.Das, E.Arnold, R.H.Ebright. Structural Basis of Mycobacterium Tuberculosis Transcription and Transcription Inhibition. Mol. Cell V. 66 169 2017.
ISSN: ISSN 1097-4164
PubMed: 28392175
DOI: 10.1016/J.MOLCEL.2017.03.001
Page generated: Mon Oct 28 09:33:51 2024

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