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Fluorine in PDB 4zh4: Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18

Enzymatic activity of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18

All present enzymatic activity of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18:
2.7.7.6;

Protein crystallography data

The structure of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18, PDB code: 4zh4 was solved by Y.Feng, R.H.Ebright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.20 / 3.99
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 185.581, 204.105, 308.038, 90.00, 90.00, 90.00
R / Rfree (%) 25 / 28.3

Other elements in 4zh4:

The structure of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18 also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms
Zinc (Zn) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18 (pdb code 4zh4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 10 binding sites of Fluorine where determined in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18, PDB code: 4zh4:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 10 in 4zh4

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Fluorine binding site 1 out of 10 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2001

b:67.0
occ:1.00
FAC C:4OE2001 0.0 67.0 1.0
CAW C:4OE2001 1.3 57.2 1.0
FAD C:4OE2001 2.1 63.3 1.0
FAE C:4OE2001 2.1 48.6 1.0
CAU C:4OE2001 2.2 61.9 1.0
CAM C:4OE2001 2.7 74.0 1.0
CAQ C:4OE2001 3.5 69.4 1.0
CA D:ILE774 3.9 67.9 1.0
FAB C:4OE2001 3.9 0.8 1.0
CAS C:4OE2001 4.0 80.8 1.0
CB D:HIS777 4.2 37.7 1.0
O D:PHE773 4.3 93.5 1.0
O D:ILE774 4.4 80.3 1.0
CG1 D:ILE774 4.4 44.4 1.0
CB D:ILE774 4.6 53.4 1.0
CD1 D:PHE773 4.6 52.2 1.0
O C:VAL550 4.6 44.1 1.0
C D:ILE774 4.6 79.2 1.0
CAH C:4OE2001 4.6 76.4 1.0
N D:ILE774 4.7 51.8 1.0
CE1 D:PHE773 4.8 69.8 1.0
CAJ C:4OE2001 4.8 66.0 1.0
CD D:PRO750 4.8 49.0 1.0
C D:PHE773 4.8 57.2 1.0
CAK C:4OE2001 4.9 91.0 1.0
CA D:LYS749 4.9 75.5 1.0
CAT C:4OE2001 4.9 83.2 1.0

Fluorine binding site 2 out of 10 in 4zh4

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Fluorine binding site 2 out of 10 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2001

b:63.3
occ:1.00
FAD C:4OE2001 0.0 63.3 1.0
CAW C:4OE2001 1.3 57.2 1.0
FAE C:4OE2001 2.1 48.6 1.0
FAC C:4OE2001 2.1 67.0 1.0
CAU C:4OE2001 2.2 61.9 1.0
FAB C:4OE2001 2.8 0.8 1.0
CAQ C:4OE2001 2.8 69.4 1.0
CAM C:4OE2001 3.2 74.0 1.0
O C:VAL550 3.4 44.1 1.0
N C:PRO552 3.7 53.1 1.0
C C:HIS551 3.9 53.9 1.0
CD C:PRO552 3.9 80.5 1.0
CA C:PRO552 4.0 50.9 1.0
CG C:PRO552 4.1 89.7 1.0
CAH C:4OE2001 4.1 76.4 1.0
O C:HIS551 4.2 59.7 1.0
CE1 D:PHE773 4.2 69.8 1.0
C C:VAL550 4.3 52.1 1.0
CAS C:4OE2001 4.4 80.8 1.0
CG2 C:VAL550 4.4 46.0 1.0
CA C:HIS551 4.5 52.8 1.0
CB C:PRO552 4.6 61.7 1.0
CD1 D:PHE773 4.6 52.2 1.0
CAK C:4OE2001 4.7 91.0 1.0
N C:HIS551 4.8 67.6 1.0
CG1 C:VAL550 4.9 58.4 1.0
CD D:PRO750 5.0 49.0 1.0

Fluorine binding site 3 out of 10 in 4zh4

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Fluorine binding site 3 out of 10 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2001

b:48.6
occ:1.00
FAE C:4OE2001 0.0 48.6 1.0
CAW C:4OE2001 1.3 57.2 1.0
FAD C:4OE2001 2.1 63.3 1.0
FAC C:4OE2001 2.1 67.0 1.0
CAU C:4OE2001 2.2 61.9 1.0
FAB C:4OE2001 2.5 0.8 1.0
CAQ C:4OE2001 2.7 69.4 1.0
CD D:PRO750 3.0 49.0 1.0
CAM C:4OE2001 3.4 74.0 1.0
CG D:PRO750 3.6 50.8 1.0
O C:VAL550 3.6 44.1 1.0
CA D:LYS749 3.9 75.5 1.0
CB D:LYS749 4.0 75.4 1.0
CAH C:4OE2001 4.0 76.4 1.0
N D:PRO750 4.2 62.2 1.0
CB D:HIS777 4.3 37.7 1.0
CAS C:4OE2001 4.5 80.8 1.0
C D:LYS749 4.6 60.6 1.0
CG D:HIS777 4.6 34.6 1.0
OD1 C:ASP549 4.7 76.2 1.0
CAK C:4OE2001 4.7 91.0 1.0
C C:VAL550 4.8 52.1 1.0
CD C:PRO552 4.8 80.5 1.0
CB D:PRO750 5.0 55.8 1.0

Fluorine binding site 4 out of 10 in 4zh4

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Fluorine binding site 4 out of 10 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2001

b:0.8
occ:1.00
FAB C:4OE2001 0.0 0.8 1.0
CAQ C:4OE2001 1.3 69.4 1.0
CAU C:4OE2001 2.3 61.9 1.0
CAH C:4OE2001 2.3 76.4 1.0
FAE C:4OE2001 2.5 48.6 1.0
CAW C:4OE2001 2.7 57.2 1.0
FAD C:4OE2001 2.8 63.3 1.0
CG C:PRO552 3.1 89.7 1.0
CD C:PRO552 3.1 80.5 1.0
CAM C:4OE2001 3.6 74.0 1.0
CAK C:4OE2001 3.6 91.0 1.0
CD D:PRO750 3.9 49.0 1.0
FAC C:4OE2001 3.9 67.0 1.0
N C:PRO552 4.0 53.1 1.0
CAS C:4OE2001 4.1 80.8 1.0
CB D:LYS749 4.1 75.4 1.0
CB C:PRO552 4.3 61.7 1.0
O C:VAL550 4.5 44.1 1.0
CA C:PRO552 4.5 50.9 1.0
CG D:PRO750 4.7 50.8 1.0
C C:HIS551 4.7 53.9 1.0
CA D:LYS749 4.9 75.5 1.0
CA C:HIS551 4.9 52.8 1.0

Fluorine binding site 5 out of 10 in 4zh4

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Fluorine binding site 5 out of 10 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F2001

b:58.2
occ:1.00
FAA C:4OE2001 0.0 58.2 1.0
CAP C:4OE2001 1.3 60.5 1.0
CAF C:4OE2001 2.3 82.5 1.0
CAG C:4OE2001 2.3 58.1 1.0
CD2 C:TYR555 2.7 93.4 1.0
CE2 C:TYR555 3.0 0.1 1.0
CG D:PHE773 3.3 39.1 1.0
CD1 D:PHE773 3.4 52.2 1.0
CD2 D:PHE773 3.5 53.3 1.0
CAI C:4OE2001 3.6 92.4 1.0
CAJ C:4OE2001 3.6 66.0 1.0
CE1 D:PHE773 3.8 69.8 1.0
CB D:PHE773 3.8 26.5 1.0
CE2 D:PHE773 3.9 51.3 1.0
CG C:TYR555 3.9 90.3 1.0
CZ D:PHE773 4.0 59.7 1.0
CAR C:4OE2001 4.1 93.5 1.0
CD C:ARG637 4.1 50.1 1.0
CZ C:TYR555 4.4 95.3 1.0
CB C:TYR555 4.4 0.5 1.0
NE C:ARG637 4.5 61.0 1.0
CD1 D:LEU770 4.5 43.8 1.0

Fluorine binding site 6 out of 10 in 4zh4

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Fluorine binding site 6 out of 10 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F2001

b:0.7
occ:1.00
FAC I:4OE2001 0.0 0.7 1.0
CAW I:4OE2001 1.3 0.0 1.0
FAD I:4OE2001 2.1 0.6 1.0
FAE I:4OE2001 2.1 0.9 1.0
CAU I:4OE2001 2.2 0.5 1.0
CAM I:4OE2001 2.7 0.0 1.0
CAQ I:4OE2001 3.5 0.4 1.0
CB J:HIS777 3.5 0.7 1.0
FAB I:4OE2001 3.9 0.9 1.0
CAS I:4OE2001 4.0 0.8 1.0
O J:PHE773 4.3 58.1 1.0
O I:VAL550 4.3 78.3 1.0
CA J:ILE774 4.3 0.7 1.0
CD1 J:PHE773 4.4 75.5 1.0
CE1 J:PHE773 4.4 68.9 1.0
N J:HIS777 4.4 0.4 1.0
CA J:HIS777 4.5 0.6 1.0
CG J:HIS777 4.5 0.7 1.0
O J:ILE774 4.6 0.3 1.0
CAH I:4OE2001 4.6 0.4 1.0
CG1 I:VAL550 4.7 49.2 1.0
CAJ I:4OE2001 4.8 0.5 1.0
CA J:LYS749 4.8 0.7 1.0
C J:ILE774 4.8 0.8 1.0
CAK I:4OE2001 4.9 0.8 1.0
CAT I:4OE2001 4.9 0.5 1.0
CD J:PRO750 4.9 0.7 1.0
C J:PHE773 4.9 59.6 1.0
N J:ILE774 5.0 0.2 1.0

Fluorine binding site 7 out of 10 in 4zh4

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Fluorine binding site 7 out of 10 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F2001

b:0.6
occ:1.00
FAD I:4OE2001 0.0 0.6 1.0
CAW I:4OE2001 1.3 0.0 1.0
FAE I:4OE2001 2.1 0.9 1.0
FAC I:4OE2001 2.1 0.7 1.0
CAU I:4OE2001 2.2 0.5 1.0
FAB I:4OE2001 2.8 0.9 1.0
CAQ I:4OE2001 2.8 0.4 1.0
O I:VAL550 3.0 78.3 1.0
CAM I:4OE2001 3.2 0.0 1.0
N I:PRO552 3.7 72.3 1.0
C I:HIS551 3.7 84.7 1.0
CE1 J:PHE773 3.8 68.9 1.0
C I:VAL550 3.9 54.0 1.0
CD I:PRO552 4.0 67.1 1.0
O I:HIS551 4.0 85.2 1.0
CAH I:4OE2001 4.1 0.4 1.0
CA I:PRO552 4.1 60.2 1.0
CG2 I:VAL550 4.2 74.8 1.0
CA I:HIS551 4.2 79.4 1.0
CG I:PRO552 4.3 0.5 1.0
CAS I:4OE2001 4.4 0.8 1.0
CD1 J:PHE773 4.4 75.5 1.0
N I:HIS551 4.4 81.9 1.0
CG1 I:VAL550 4.6 49.2 1.0
CAK I:4OE2001 4.7 0.8 1.0
CB I:PRO552 4.8 65.2 1.0
CB I:VAL550 4.8 51.4 1.0
CZ J:PHE773 4.8 36.6 1.0
CB J:HIS777 4.9 0.7 1.0

Fluorine binding site 8 out of 10 in 4zh4

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Fluorine binding site 8 out of 10 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F2001

b:0.9
occ:1.00
FAE I:4OE2001 0.0 0.9 1.0
CAW I:4OE2001 1.3 0.0 1.0
FAD I:4OE2001 2.1 0.6 1.0
FAC I:4OE2001 2.1 0.7 1.0
CAU I:4OE2001 2.2 0.5 1.0
FAB I:4OE2001 2.5 0.9 1.0
CAQ I:4OE2001 2.7 0.4 1.0
CD J:PRO750 3.1 0.7 1.0
O I:VAL550 3.2 78.3 1.0
CAM I:4OE2001 3.4 0.0 1.0
CG J:PRO750 3.5 0.9 1.0
CB J:HIS777 3.7 0.7 1.0
CAH I:4OE2001 4.0 0.4 1.0
CA J:LYS749 4.1 0.7 1.0
OD1 I:ASP549 4.1 0.1 1.0
CG J:HIS777 4.1 0.7 1.0
N J:PRO750 4.1 0.8 1.0
CB J:LYS749 4.2 0.2 1.0
C I:VAL550 4.4 54.0 1.0
CAS I:4OE2001 4.5 0.8 1.0
C J:LYS749 4.6 0.9 1.0
CG1 I:VAL550 4.7 49.2 1.0
CD2 J:HIS777 4.7 0.2 1.0
ND1 J:HIS777 4.7 0.1 1.0
CAK I:4OE2001 4.7 0.8 1.0
CA J:HIS777 4.9 0.6 1.0
CB J:PRO750 4.9 0.7 1.0
CD I:PRO552 4.9 67.1 1.0

Fluorine binding site 9 out of 10 in 4zh4

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Fluorine binding site 9 out of 10 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F2001

b:0.9
occ:1.00
FAB I:4OE2001 0.0 0.9 1.0
CAQ I:4OE2001 1.3 0.4 1.0
CAU I:4OE2001 2.3 0.5 1.0
CAH I:4OE2001 2.3 0.4 1.0
FAE I:4OE2001 2.5 0.9 1.0
CAW I:4OE2001 2.7 0.0 1.0
FAD I:4OE2001 2.8 0.6 1.0
CD I:PRO552 3.0 67.1 1.0
CG I:PRO552 3.2 0.5 1.0
CD J:PRO750 3.5 0.7 1.0
CAM I:4OE2001 3.6 0.0 1.0
CAK I:4OE2001 3.6 0.8 1.0
N I:PRO552 3.8 72.3 1.0
FAC I:4OE2001 3.9 0.7 1.0
O I:VAL550 4.0 78.3 1.0
CAS I:4OE2001 4.1 0.8 1.0
CB J:LYS749 4.2 0.2 1.0
CG J:PRO750 4.2 0.9 1.0
C I:HIS551 4.4 84.7 1.0
CB I:PRO552 4.4 65.2 1.0
CA I:HIS551 4.5 79.4 1.0
CA I:PRO552 4.5 60.2 1.0
N J:PRO750 4.9 0.8 1.0
CA J:LYS749 4.9 0.7 1.0

Fluorine binding site 10 out of 10 in 4zh4

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Fluorine binding site 10 out of 10 in the Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Escherichia Coli Rna Polymerase in Complex with CBRP18 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F2001

b:0.2
occ:1.00
FAA I:4OE2001 0.0 0.2 1.0
CAP I:4OE2001 1.3 0.1 1.0
CAF I:4OE2001 2.3 0.4 1.0
CAG I:4OE2001 2.3 0.9 1.0
CD2 I:TYR555 2.8 0.7 1.0
CE2 I:TYR555 3.1 0.0 1.0
CG J:PHE773 3.3 46.0 1.0
CD1 J:PHE773 3.5 75.5 1.0
CD2 J:PHE773 3.6 39.8 1.0
CAI I:4OE2001 3.6 0.5 1.0
CAJ I:4OE2001 3.6 0.5 1.0
CB J:PHE773 3.7 43.7 1.0
CE1 J:PHE773 4.0 68.9 1.0
CE2 J:PHE773 4.0 43.2 1.0
CG I:TYR555 4.1 0.8 1.0
CAR I:4OE2001 4.1 0.6 1.0
CZ J:PHE773 4.2 36.6 1.0
CD I:ARG637 4.3 38.6 1.0
CD1 J:LEU770 4.4 61.2 1.0
CZ I:TYR555 4.5 0.2 1.0
CB I:TYR555 4.5 0.6 1.0
NE I:ARG637 4.7 49.8 1.0

Reference:

Y.Feng, D.Degen, X.Wang, M.Gigliotti, S.Liu, Y.Zhang, D.Das, T.Michalchuk, Y.W.Ebright, M.Talaue, N.Connell, R.H.Ebright. Structural Basis of Transcription Inhibition By Cbr Hydroxamidines and Cbr Pyrazoles. Structure V. 23 1470 2015.
ISSN: ISSN 0969-2126
PubMed: 26190576
DOI: 10.1016/J.STR.2015.06.009
Page generated: Thu Aug 1 07:18:22 2024

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