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Fluorine in PDB 4nic: Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain

Protein crystallography data

The structure of Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain, PDB code: 4nic was solved by Y.C.Li, C.D.Hsiao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.60 / 3.18
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 113.475, 113.475, 243.685, 90.00, 90.00, 120.00
R / Rfree (%) 18.7 / 22.3

Other elements in 4nic:

The structure of Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain (pdb code 4nic). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain, PDB code: 4nic:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 4nic

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Fluorine binding site 1 out of 12 in the Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain


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 Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:62.0
occ:1.00
 F1 A:BEF202 0.0 62.0 1.0
BE A:BEF202 1.4 55.4 1.0
MG A:MG201 1.9 52.4 1.0
F3 A:BEF202 2.3 59.1 1.0
F2 A:BEF202 2.3 48.0 1.0
OD2 A:ASP52 2.5 46.7 1.0
OD1 A:ASP52 3.0 51.9 1.0
O A:MET54 3.1 51.9 1.0
CG A:ASP52 3.1 49.5 1.0
NH2 C:ARG65 3.3 63.4 1.0
CB A:MET54 3.4 55.7 1.0
N A:MET54 3.7 51.4 1.0
CA A:MET54 3.8 52.0 1.0
C A:MET54 3.8 53.7 1.0
NZ A:LYS101 3.9 57.0 1.0
CZ C:ARG65 3.9 61.2 1.0
OD1 A:ASP9 3.9 61.2 1.0
NE C:ARG65 4.0 62.9 1.0
O A:HOH302 4.0 59.0 1.0
OD2 A:ASP9 4.3 57.2 1.0
CG A:MET54 4.4 54.4 1.0
OE1 A:GLU8 4.4 68.3 1.0
CG A:ASP9 4.6 59.8 1.0
OG A:SER80 4.6 60.6 1.0
CB A:ASP52 4.6 42.9 1.0
N A:ILE53 4.7 45.4 1.0
C A:ILE53 4.8 48.5 1.0
CE A:LYS101 5.0 50.7 1.0
NH1 C:ARG65 5.0 64.4 1.0

Fluorine binding site 2 out of 12 in 4nic

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Fluorine binding site 2 out of 12 in the Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain


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 Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:48.0
occ:1.00
 F2 A:BEF202 0.0 48.0 1.0
BE A:BEF202 1.4 55.4 1.0
F3 A:BEF202 2.3 59.1 1.0
F1 A:BEF202 2.3 62.0 1.0
OD1 A:ASP52 2.6 51.9 1.0
N A:MET54 2.8 51.4 1.0
OG1 A:THR79 3.0 55.9 1.0
N A:ILE53 3.2 45.4 1.0
CG A:ASP52 3.2 49.5 1.0
OD2 A:ASP52 3.4 46.7 1.0
CB A:MET54 3.6 55.7 1.0
CA A:ILE53 3.7 45.7 1.0
C A:ILE53 3.7 48.5 1.0
CA A:MET54 3.7 52.0 1.0
CB A:ILE53 3.8 51.3 1.0
CB A:THR79 3.9 46.3 1.0
CG A:MET54 3.9 54.4 1.0
MG A:MG201 4.1 52.4 1.0
CA A:THR79 4.1 40.9 1.0
N A:SER80 4.1 49.4 1.0
O A:MET54 4.3 51.9 1.0
C A:ASP52 4.3 44.6 1.0
OG A:SER80 4.3 60.6 1.0
C A:MET54 4.3 53.7 1.0
CB A:ASP52 4.5 42.9 1.0
CG2 A:ILE53 4.6 56.1 1.0
CA A:ASP52 4.6 41.0 1.0
NZ A:LYS101 4.6 57.0 1.0
CD1 A:LEU81 4.7 51.0 1.0
C A:THR79 4.7 46.0 1.0
NE C:ARG65 4.8 62.9 1.0
O A:ILE53 4.8 49.1 1.0
O A:LEU78 4.9 48.1 1.0
CG1 A:ILE53 4.9 51.8 1.0

Fluorine binding site 3 out of 12 in 4nic

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Fluorine binding site 3 out of 12 in the Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain


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 Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F202

b:59.1
occ:1.00
 F3 A:BEF202 0.0 59.1 1.0
BE A:BEF202 1.4 55.4 1.0
F2 A:BEF202 2.3 48.0 1.0
F1 A:BEF202 2.3 62.0 1.0
OG A:SER80 2.8 60.6 1.0
OD1 A:ASP52 3.0 51.9 1.0
NZ A:LYS101 3.0 57.0 1.0
N A:SER80 3.1 49.4 1.0
CB A:SER80 3.5 57.5 1.0
O A:HOH302 3.5 59.0 1.0
CE A:LYS101 3.7 50.7 1.0
OG1 A:THR79 3.8 55.9 1.0
CG A:ASP52 3.9 49.5 1.0
CD A:LYS101 3.9 52.0 1.0
CA A:SER80 3.9 51.1 1.0
OD2 A:ASP52 3.9 46.7 1.0
MG A:MG201 4.0 52.4 1.0
CA A:THR79 4.0 40.9 1.0
C A:THR79 4.0 46.0 1.0
NH2 C:ARG65 4.2 63.4 1.0
NE C:ARG65 4.2 62.9 1.0
CZ C:ARG65 4.3 61.2 1.0
CB A:THR79 4.5 46.3 1.0
C A:SER80 4.8 48.0 1.0
N A:LEU81 4.9 48.0 1.0
NH1 C:ARG65 4.9 64.4 1.0
CD C:ARG65 4.9 63.2 1.0
N A:MET54 4.9 51.4 1.0
CB A:MET54 4.9 55.7 1.0

Fluorine binding site 4 out of 12 in 4nic

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Fluorine binding site 4 out of 12 in the Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain


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 Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:74.1
occ:1.00
 F1 B:BEF202 0.0 74.1 1.0
BE B:BEF202 1.4 69.0 1.0
MG B:MG201 1.9 58.1 1.0
F3 B:BEF202 2.3 73.4 1.0
F2 B:BEF202 2.3 59.0 1.0
OD2 B:ASP52 2.4 62.5 1.0
OD1 B:ASP52 2.7 60.9 1.0
CG B:ASP52 2.9 62.4 1.0
O B:MET54 3.7 72.1 1.0
OE2 B:GLU8 3.7 87.6 1.0
CB B:MET54 3.8 73.5 1.0
CE B:LYS101 3.9 62.7 1.0
OD2 B:ASP9 4.0 84.8 1.0
N B:MET54 4.1 67.8 1.0
OD1 B:ASP9 4.2 78.5 1.0
CA B:MET54 4.3 67.7 1.0
NZ B:LYS101 4.3 61.7 1.0
C B:MET54 4.3 74.3 1.0
CB B:ASP52 4.4 55.7 1.0
CG B:MET54 4.5 79.7 1.0
CG B:ASP9 4.5 80.9 1.0
CD B:GLU8 4.7 83.8 1.0
N B:ILE53 4.7 60.9 1.0

Fluorine binding site 5 out of 12 in 4nic

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Fluorine binding site 5 out of 12 in the Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain


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 Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:59.0
occ:1.00
 F2 B:BEF202 0.0 59.0 1.0
BE B:BEF202 1.4 69.0 1.0
OD1 B:ASP52 2.3 60.9 1.0
F3 B:BEF202 2.3 73.4 1.0
F1 B:BEF202 2.3 74.1 1.0
N B:MET54 3.2 67.8 1.0
CG B:ASP52 3.3 62.4 1.0
N B:ILE53 3.5 60.9 1.0
OG1 B:THR79 3.5 59.3 1.0
CB B:THR79 3.6 56.2 1.0
OD2 B:ASP52 3.6 62.5 1.0
CB B:MET54 3.7 73.5 1.0
CA B:THR79 3.7 51.7 1.0
CG B:MET54 3.8 79.7 1.0
CB B:ILE53 3.8 64.3 1.0
N B:SER80 3.8 56.7 1.0
MG B:MG201 3.9 58.1 1.0
CA B:ILE53 4.0 63.0 1.0
CA B:MET54 4.0 67.7 1.0
C B:ILE53 4.1 65.8 1.0
C B:THR79 4.3 55.4 1.0
CE B:LYS101 4.3 62.7 1.0
OG B:SER80 4.4 77.5 1.0
C B:ASP52 4.6 59.9 1.0
CG2 B:ILE53 4.6 66.3 1.0
CB B:ASP52 4.6 55.7 1.0
NZ B:LYS101 4.7 61.7 1.0
CG B:LEU81 4.7 75.8 1.0
O B:LEU78 4.7 59.0 1.0
C B:MET54 4.7 74.3 1.0
O B:MET54 4.7 72.1 1.0
CD2 B:LEU81 4.7 71.8 1.0
CG1 B:ILE53 4.8 59.4 1.0
CA B:ASP52 4.8 53.5 1.0
CA B:SER80 4.9 57.5 1.0
CB B:SER80 5.0 65.7 1.0
N B:LEU81 5.0 58.1 1.0
N B:THR79 5.0 48.0 1.0

Fluorine binding site 6 out of 12 in 4nic

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Fluorine binding site 6 out of 12 in the Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain


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 Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:73.4
occ:1.00
 F3 B:BEF202 0.0 73.4 1.0
BE B:BEF202 1.4 69.0 1.0
F1 B:BEF202 2.3 74.1 1.0
F2 B:BEF202 2.3 59.0 1.0
CE B:LYS101 2.9 62.7 1.0
N B:SER80 3.1 56.7 1.0
OG B:SER80 3.2 77.5 1.0
CB B:SER80 3.4 65.7 1.0
OD1 B:ASP52 3.6 60.9 1.0
CA B:SER80 3.8 57.5 1.0
NZ B:LYS101 3.9 61.7 1.0
CD B:LYS101 4.0 63.5 1.0
C B:THR79 4.0 55.4 1.0
MG B:MG201 4.0 58.1 1.0
CA B:THR79 4.1 51.7 1.0
OD2 B:ASP52 4.3 62.5 1.0
CG B:ASP52 4.3 62.4 1.0
OG1 B:THR79 4.4 59.3 1.0
CB B:THR79 4.6 56.2 1.0
OE2 B:GLU8 4.6 87.6 1.0
CG B:LYS101 4.8 58.0 1.0
C B:SER80 4.9 60.2 1.0
CB B:MET54 5.0 73.5 1.0
N B:LEU81 5.0 58.1 1.0

Fluorine binding site 7 out of 12 in 4nic

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Fluorine binding site 7 out of 12 in the Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain


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 Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F202

b:50.9
occ:1.00
 F1 C:BEF202 0.0 50.9 1.0
BE C:BEF202 1.4 50.0 1.0
MG C:MG201 1.8 44.0 1.0
F2 C:BEF202 2.3 46.4 1.0
OD2 C:ASP52 2.3 48.5 1.0
F3 C:BEF202 2.3 50.4 1.0
O C:MET54 2.9 50.9 1.0
CG C:ASP52 3.0 50.8 1.0
OD1 C:ASP52 3.0 55.2 1.0
OD1 C:ASP9 3.5 63.3 1.0
CB C:MET54 3.5 52.2 1.0
O C:ASP52 3.6 55.2 1.0
C C:MET54 3.7 53.1 1.0
CA C:MET54 3.8 47.8 1.0
N C:MET54 3.9 44.3 1.0
NZ C:LYS101 4.2 45.6 1.0
CB C:ASP52 4.4 46.1 1.0
CG C:ASP9 4.4 57.4 1.0
OE2 C:GLU8 4.4 68.1 1.0
OD2 C:ASP9 4.5 57.0 1.0
C C:ASP52 4.5 49.5 1.0
CG C:MET54 4.5 54.2 1.0
OG C:SER80 4.7 51.0 1.0
C C:ILE53 4.9 49.1 1.0
N C:LEU55 5.0 56.0 1.0

Fluorine binding site 8 out of 12 in 4nic

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Fluorine binding site 8 out of 12 in the Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain


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 Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F202

b:46.4
occ:1.00
 F2 C:BEF202 0.0 46.4 1.0
BE C:BEF202 1.4 50.0 1.0
F3 C:BEF202 2.2 50.4 1.0
F1 C:BEF202 2.3 50.9 1.0
O C:ASP52 2.3 55.2 1.0
N C:MET54 3.0 44.3 1.0
OG1 C:THR79 3.2 47.9 1.0
OD1 C:ASP52 3.2 55.2 1.0
CB C:MET54 3.5 52.2 1.0
C C:ASP52 3.5 49.5 1.0
OD2 C:ASP52 3.5 48.5 1.0
CG C:ASP52 3.5 50.8 1.0
CA C:MET54 3.7 47.8 1.0
CG C:MET54 3.8 54.2 1.0
CB C:ILE53 3.9 47.8 1.0
MG C:MG201 4.0 44.0 1.0
CB C:THR79 4.0 44.1 1.0
C C:ILE53 4.0 49.1 1.0
O C:MET54 4.1 50.9 1.0
CA C:THR79 4.2 40.2 1.0
CA C:ILE53 4.2 51.3 1.0
N C:SER80 4.2 42.6 1.0
N C:ILE53 4.3 44.0 1.0
C C:MET54 4.3 53.1 1.0
OG C:SER80 4.4 51.0 1.0
CA C:ASP52 4.5 41.1 1.0
SD C:MET54 4.5 68.5 1.0
CB C:ASP52 4.5 46.1 1.0
CG2 C:ILE53 4.6 44.9 1.0
NZ C:LYS101 4.6 45.6 1.0
C C:THR79 4.8 40.8 1.0
CG1 C:ILE53 4.9 46.0 1.0
O C:LEU78 4.9 41.2 1.0
CG C:LEU81 5.0 52.6 1.0

Fluorine binding site 9 out of 12 in 4nic

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Fluorine binding site 9 out of 12 in the Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain


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 Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F202

b:50.4
occ:1.00
 F3 C:BEF202 0.0 50.4 1.0
BE C:BEF202 1.4 50.0 1.0
F2 C:BEF202 2.2 46.4 1.0
F1 C:BEF202 2.3 50.9 1.0
NZ C:LYS101 2.8 45.6 1.0
OD1 C:ASP52 2.8 55.2 1.0
OG C:SER80 2.9 51.0 1.0
N C:SER80 3.4 42.6 1.0
CE C:LYS101 3.5 41.6 1.0
CG C:ASP52 3.6 50.8 1.0
OD2 C:ASP52 3.7 48.5 1.0
O C:ASP52 3.8 55.2 1.0
MG C:MG201 3.8 44.0 1.0
CA C:THR79 4.0 40.2 1.0
OG1 C:THR79 4.1 47.9 1.0
CB C:SER80 4.1 38.1 1.0
C C:THR79 4.2 40.8 1.0
CD C:LYS101 4.3 50.2 1.0
OE2 C:GLU8 4.4 68.1 1.0
CA C:SER80 4.4 42.8 1.0
CB C:THR79 4.5 44.1 1.0
O C:LEU78 4.7 41.2 1.0
C C:ASP52 4.9 49.5 1.0
CB C:ASP52 5.0 46.1 1.0

Fluorine binding site 10 out of 12 in 4nic

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Fluorine binding site 10 out of 12 in the Crystal Structure of Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain


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 Klebsiella Pneumoniae Rsta BEF3-Activated N- Terminal Receiver Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F202

b:49.4
occ:1.00
 F1 D:BEF202 0.0 49.4 1.0
BE D:BEF202 1.4 48.3 1.0
MG D:MG201 1.8 39.4 1.0
F2 D:BEF202 2.3 41.1 1.0
F3 D:BEF202 2.3 55.1 1.0
OD2 D:ASP52 2.6 48.2 1.0
OD1 D:ASP52 2.8 50.9 1.0
CG D:ASP52 3.0 50.1 1.0
O D:MET54 3.0 51.8 1.0
CB D:MET54 3.5 48.1 1.0
OD1 D:ASP9 3.6 51.9 1.0
N D:MET54 3.6 50.0 1.0
C D:MET54 3.8 50.7 1.0
CA D:MET54 3.8 46.2 1.0
O D:HOH312 4.0 58.5 1.0
CG D:MET54 4.0 51.0 1.0
NZ D:LYS101 4.0 52.3 1.0
CG D:ASP9 4.5 52.3 1.0
CB D:ASP52 4.5 43.9 1.0
N D:ILE53 4.5 45.2 1.0
OD2 D:ASP9 4.6 54.1 1.0
OE2 D:GLU8 4.7 66.2 1.0
C D:ILE53 4.7 48.6 1.0
OG D:SER80 4.9 57.0 1.0

Reference:

Y.C.Li, C.K.Chang, C.F.Chang, Y.H.Cheng, P.J.Fang, T.Yu, S.C.Chen, Y.C.Li, C.D.Hsiao, T.H.Huang. Structural Dynamics of the Two-Component Response Regulator Rsta in Recognition of Promoter Dna Element. Nucleic Acids Res. V. 42 8777 2014.
ISSN: ISSN 0305-1048
PubMed: 24990372
DOI: 10.1093/NAR/GKU572
Page generated: Thu Aug 1 04:16:25 2024

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