Magnesium in PDB 8w8p: Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State

Enzymatic activity of Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State

All present enzymatic activity of Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State:
2.7.7.6;

Protein crystallography data

The structure of Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State, PDB code: 8w8p was solved by L.Li, Y.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.76 / 3.17
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 184.681, 103.891, 294.614, 90, 98.97, 90
R / Rfree (%) 21.1 / 25.7

Other elements in 8w8p:

The structure of Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State (pdb code 8w8p). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State, PDB code: 8w8p:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6;

Magnesium binding site 1 out of 6 in 8w8p

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Magnesium binding site 1 out of 6 in the Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg401

b:73.5
occ:1.00
OD1 B:ASP193 2.3 73.6 1.0
OD1 B:ASP183 2.4 86.2 1.0
OD1 B:ASP191 2.4 83.6 1.0
O B:ASP191 2.6 78.1 1.0
CG B:ASP193 3.4 68.7 1.0
C B:ASP191 3.5 81.2 1.0
CG B:ASP191 3.5 85.6 1.0
CG B:ASP183 3.6 82.9 1.0
O B:LEU192 3.8 68.1 1.0
CG B:ARG30 3.8 59.9 1.0
OD2 B:ASP193 3.9 60.9 1.0
CA B:ASP191 4.1 81.1 1.0
C B:LEU192 4.2 65.9 1.0
CB B:ASP191 4.2 82.1 1.0
OD2 B:ASP183 4.3 83.1 1.0
OD2 B:ASP191 4.5 77.6 1.0
N B:LEU192 4.5 80.3 1.0
CB B:ARG30 4.6 64.8 1.0
CA B:ARG30 4.6 63.2 1.0
N B:ASP193 4.7 66.2 1.0
CB B:ASP183 4.7 75.0 1.0
CB B:ASP193 4.7 62.0 1.0
CA B:LEU192 4.7 66.4 1.0
CA B:ASP183 4.7 68.0 1.0
CA B:ASP193 4.8 64.1 1.0
N B:GLY31 4.8 51.0 1.0
CD B:ARG30 4.9 56.2 1.0

Magnesium binding site 2 out of 6 in 8w8p

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Magnesium binding site 2 out of 6 in the Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg402

b:44.9
occ:1.00
O D:LYS840 2.4 47.8 1.0
OE2 B:GLU154 3.2 65.2 1.0
OD1 B:ASP168 3.4 54.3 1.0
OD2 B:ASP168 3.4 60.6 1.0
C D:LYS840 3.5 46.5 1.0
CG B:ASP168 3.9 58.2 1.0
O D:LEU839 4.2 47.0 1.0
N D:TYR841 4.3 49.8 1.0
CA D:TYR841 4.4 48.9 1.0
CD B:GLU154 4.4 68.5 1.0
CA D:LYS840 4.4 44.0 1.0
N D:VAL842 4.5 48.2 1.0
OE2 B:GLU64 4.5 78.5 1.0
CB B:ALA153 4.5 60.0 1.0
OE1 B:GLU64 4.5 84.2 1.0
C D:TYR841 4.9 48.5 1.0
CD B:GLU64 4.9 84.4 1.0

Magnesium binding site 3 out of 6 in 8w8p

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Magnesium binding site 3 out of 6 in the Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1603

b:27.7
occ:1.00
OD1 D:ASP739 2.0 26.6 1.0
O D:HOH1718 2.3 31.9 1.0
O3' I:A7 2.3 39.8 1.0
OD2 D:ASP743 2.5 23.5 1.0
OD1 D:ASP743 2.6 28.8 1.0
OD2 D:ASP741 2.7 32.6 1.0
CG D:ASP739 2.9 28.5 1.0
CG D:ASP743 2.9 25.0 1.0
OD1 D:ASP741 2.9 34.2 1.0
CG D:ASP741 3.1 25.2 1.0
OD2 D:ASP739 3.1 31.4 1.0
O2' I:A7 3.5 35.0 1.0
C3' I:A7 3.6 32.4 1.0
C5' D:2TM1606 3.8 35.9 0.8
C2' I:A7 4.0 31.8 1.0
N D:ASP739 4.2 22.2 1.0
CB D:ASP739 4.2 28.9 1.0
C4' D:2TM1606 4.3 33.2 0.8
C4' I:A7 4.4 34.6 1.0
CB D:ASP743 4.4 23.0 1.0
O4' D:2TM1606 4.5 28.4 0.8
C1 D:2TM1606 4.5 49.7 0.8
CB D:ASP741 4.5 25.8 1.0
CA D:ASP739 4.5 24.6 1.0
NH2 D:ARG704 4.6 31.0 1.0
C D:ASP739 4.7 25.1 1.0
N D:ASP741 4.7 28.6 1.0
O D:HOH1709 4.8 33.1 1.0
O D:ASN737 4.8 30.2 1.0
O D:ASP739 4.8 24.8 1.0

Magnesium binding site 4 out of 6 in 8w8p

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Magnesium binding site 4 out of 6 in the Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1604

b:42.4
occ:1.00
O2B D:2TM1606 2.1 57.7 0.8
O D:HOH1709 3.1 33.1 1.0
O2G D:2TM1606 3.4 47.3 0.8
PB D:2TM1606 3.6 62.5 0.8
OD2 D:ASP739 3.8 31.4 1.0
NH1 D:ARG1029 4.0 44.6 1.0
NH2 D:ARG1029 4.1 50.4 1.0
OE2 C:GLU685 4.2 50.9 1.0
NH1 C:ARG879 4.2 47.0 1.0
O3B D:2TM1606 4.2 62.8 0.8
PG D:2TM1606 4.3 75.9 0.8
O1B D:2TM1606 4.4 52.0 0.8
CZ D:ARG1029 4.5 45.4 1.0
NH2 D:ARG783 4.6 43.7 1.0
O1G D:2TM1606 4.7 55.7 0.8
C1 D:2TM1606 4.8 49.7 0.8
CG D:ASP739 4.9 28.5 1.0

Magnesium binding site 5 out of 6 in 8w8p

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Magnesium binding site 5 out of 6 in the Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg1605

b:59.5
occ:1.00
O D:TRP897 2.6 53.9 1.0
O D:ILE900 3.4 62.7 1.0
O D:GLU898 3.7 65.0 1.0
C D:TRP897 3.7 58.6 1.0
CA D:GLU898 3.9 57.7 1.0
C D:GLU898 4.0 63.0 1.0
NE1 D:TRP897 4.2 75.0 1.0
CD1 D:TRP897 4.2 67.7 1.0
N D:GLU898 4.3 56.6 1.0
C D:ILE900 4.4 54.3 1.0
CE2 D:TRP897 4.5 73.1 1.0
CG D:TRP897 4.6 64.5 1.0
CD2 D:TRP897 4.7 66.4 1.0
N D:LEU899 4.8 59.5 1.0
CA D:TRP897 4.9 60.6 1.0
N D:ILE900 4.9 55.8 1.0

Magnesium binding site 6 out of 6 in 8w8p

Go back to Magnesium Binding Sites List in 8w8p
Magnesium binding site 6 out of 6 in the Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Thermus Thermophilus Initiation Transcription Complex Containing Cmpcpp in the Post-Translocated State within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mg501

b:65.5
occ:1.00
O F:ALA292 2.2 57.2 1.0
O F:GLY296 2.4 63.0 1.0
O F:TRP299 2.5 61.0 1.0
C F:GLY296 3.3 63.9 1.0
C F:ALA292 3.3 58.6 1.0
C F:TRP299 3.5 60.8 1.0
CA F:PRO297 4.0 68.9 1.0
N F:PRO297 4.0 68.3 1.0
N F:TRP299 4.0 62.9 1.0
CB F:TRP299 4.0 62.5 1.0
CA F:GLU293 4.1 59.9 1.0
CA F:TRP299 4.1 61.5 1.0
N F:GLU293 4.1 58.8 1.0
N F:GLY296 4.2 58.6 1.0
CA F:GLY296 4.2 61.6 1.0
O F:GLU293 4.2 50.5 1.0
CA F:ALA292 4.3 58.2 1.0
CB F:ALA292 4.5 56.1 1.0
C F:GLU293 4.6 53.5 1.0
C F:PRO297 4.6 68.5 1.0
N F:ASP300 4.7 59.5 1.0
N F:GLY298 4.8 63.3 1.0

Reference:

I.C.Nova, J.M.Craig, A.Mazumder, A.H.Laszlo, I.M.Derrington, M.T.Noakes, H.Brinkerhoff, S.Yang, H.Vahedian-Movahed, L.Li, Y.Zhang, J.L.Bowman, J.R.Huang, J.W.Mount, R.H.Ebright, J.H.Gundlach. Nanopore Tweezers Show Fractional-Nucleotide Translocation in Sequence-Dependent Pausing By Rna Polymerase. Proc.Natl.Acad.Sci.Usa V. 121 17121 2024.
ISSN: ESSN 1091-6490
PubMed: 38990947
DOI: 10.1073/PNAS.2321017121
Page generated: Fri Oct 4 22:40:34 2024

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