Atomistry » Fluorine » PDB 4ncj-4o16 » 4nqa
Atomistry »
  Fluorine »
    PDB 4ncj-4o16 »
      4nqa »

Fluorine in PDB 4nqa: Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna

Protein crystallography data

The structure of Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna, PDB code: 4nqa was solved by X.H.Lou, G.Toresson, C.Benod, J.H.Suh, K.J.Phillips, P.Webb, J.A.Gustafsson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.97 / 3.10
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 85.783, 85.783, 238.577, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 21.8

Other elements in 4nqa:

The structure of Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms
Zinc (Zn) 8 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna (pdb code 4nqa). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna, PDB code: 4nqa:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 4nqa

Go back to Fluorine Binding Sites List in 4nqa
Fluorine binding site 1 out of 6 in the Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna


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 Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F501

b:66.0
occ:1.00
 F41 B:965501 0.0 66.0 1.0
C39 B:965501 1.3 66.0 1.0
F42 B:965501 2.2 66.0 1.0
F40 B:965501 2.2 66.0 1.0
C20 B:965501 2.3 66.0 1.0
C19 B:965501 3.2 66.0 1.0
C21 B:965501 3.2 66.0 1.0
CL4 B:965501 3.5 66.0 1.0
CD1 B:LEU442 3.9 51.4 1.0
CZ3 B:TRP457 4.0 63.5 1.0
CE3 B:TRP457 4.3 63.5 1.0
C22 B:965501 4.4 66.0 1.0
C18 B:965501 4.4 66.0 1.0
CD1 B:LEU449 4.6 82.0 1.0
CE1 B:HIS435 4.7 58.5 1.0
CG2 B:THR272 4.8 68.9 1.0
CE1 B:PHE268 4.9 74.8 1.0
CH2 B:TRP457 4.9 63.5 1.0
C23 B:965501 4.9 66.0 1.0
CZ B:PHE268 4.9 74.8 1.0
CG2 B:VAL439 4.9 31.7 1.0

Fluorine binding site 2 out of 6 in 4nqa

Go back to Fluorine Binding Sites List in 4nqa
Fluorine binding site 2 out of 6 in the Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna


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 Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F501

b:66.0
occ:1.00
 F40 B:965501 0.0 66.0 1.0
C39 B:965501 1.3 66.0 1.0
F42 B:965501 2.2 66.0 1.0
F41 B:965501 2.2 66.0 1.0
C20 B:965501 2.3 66.0 1.0
CL4 B:965501 2.5 66.0 1.0
C19 B:965501 2.7 66.0 1.0
C21 B:965501 3.6 66.0 1.0
CD1 B:LEU442 3.7 51.4 1.0
CG B:GLN438 4.0 76.0 1.0
C18 B:965501 4.1 66.0 1.0
CD2 B:LEU345 4.2 52.2 1.0
CE1 B:PHE268 4.4 74.8 1.0
C22 B:965501 4.7 66.0 1.0
CD B:GLN438 4.8 76.0 1.0
CZ B:PHE349 4.9 34.9 1.0
CG B:LEU442 4.9 51.4 1.0
CE2 B:PHE349 4.9 34.9 1.0
C23 B:965501 4.9 66.0 1.0

Fluorine binding site 3 out of 6 in 4nqa

Go back to Fluorine Binding Sites List in 4nqa
Fluorine binding site 3 out of 6 in the Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna


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 Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F501

b:66.0
occ:1.00
 F42 B:965501 0.0 66.0 1.0
C39 B:965501 1.3 66.0 1.0
F40 B:965501 2.2 66.0 1.0
F41 B:965501 2.2 66.0 1.0
C20 B:965501 2.3 66.0 1.0
C21 B:965501 2.7 66.0 1.0
CE1 B:HIS435 3.0 58.5 1.0
ND1 B:HIS435 3.3 58.5 1.0
C19 B:965501 3.6 66.0 1.0
CG2 B:VAL439 3.9 31.7 1.0
C22 B:965501 4.1 66.0 1.0
NE2 B:HIS435 4.2 58.5 1.0
CG B:GLN438 4.2 76.0 1.0
CL4 B:965501 4.3 66.0 1.0
CZ3 B:TRP457 4.5 63.5 1.0
CE3 B:TRP457 4.5 63.5 1.0
CD1 B:LEU442 4.5 51.4 1.0
CG B:HIS435 4.6 58.5 1.0
O B:HIS435 4.6 58.5 1.0
C18 B:965501 4.7 66.0 1.0
CZ B:PHE349 4.8 34.9 1.0
CB B:GLN438 4.8 76.0 1.0
N B:VAL439 4.8 31.7 1.0
C23 B:965501 4.9 66.0 1.0
CA B:VAL439 5.0 31.7 1.0

Fluorine binding site 4 out of 6 in 4nqa

Go back to Fluorine Binding Sites List in 4nqa
Fluorine binding site 4 out of 6 in the Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna


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 Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F501

b:59.0
occ:1.00
 F41 I:965501 0.0 59.0 1.0
C39 I:965501 1.3 59.0 1.0
F42 I:965501 2.2 59.0 1.0
F40 I:965501 2.2 59.0 1.0
C20 I:965501 2.3 59.0 1.0
C19 I:965501 3.0 59.0 1.0
CL4 I:965501 3.1 59.0 1.0
C21 I:965501 3.4 59.0 1.0
CD2 I:LEU442 3.9 62.9 1.0
CD2 I:LEU449 4.0 48.1 1.0
CZ I:PHE268 4.1 64.3 1.0
CE1 I:PHE268 4.2 64.3 1.0
C18 I:965501 4.3 59.0 1.0
CZ3 I:TRP457 4.3 73.8 1.0
C22 I:965501 4.6 59.0 1.0
CD1 I:LEU449 4.6 48.1 1.0
CE3 I:TRP457 4.7 73.8 1.0
CD1 I:LEU453 4.8 25.2 1.0
OG1 I:THR272 4.8 58.3 1.0
C23 I:965501 4.9 59.0 1.0
CG2 I:THR272 4.9 58.3 1.0
CG I:LEU449 5.0 48.1 1.0

Fluorine binding site 5 out of 6 in 4nqa

Go back to Fluorine Binding Sites List in 4nqa
Fluorine binding site 5 out of 6 in the Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna


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 Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F501

b:59.0
occ:1.00
 F40 I:965501 0.0 59.0 1.0
C39 I:965501 1.3 59.0 1.0
F42 I:965501 2.2 59.0 1.0
F41 I:965501 2.2 59.0 1.0
C20 I:965501 2.3 59.0 1.0
CL4 I:965501 2.9 59.0 1.0
C19 I:965501 2.9 59.0 1.0
C21 I:965501 3.4 59.0 1.0
CD2 I:LEU345 3.5 27.7 1.0
CD2 I:LEU442 3.7 62.9 1.0
CE1 I:PHE268 3.8 64.3 1.0
C18 I:965501 4.2 59.0 1.0
CG I:GLN438 4.2 60.0 1.0
CZ I:PHE268 4.3 64.3 1.0
CD1 I:LEU442 4.6 62.9 1.0
C22 I:965501 4.6 59.0 1.0
CD1 I:PHE268 4.7 64.3 1.0
CG I:LEU442 4.8 62.9 1.0
CG I:LEU345 4.9 27.7 1.0
CD I:GLN438 4.9 60.0 1.0
C23 I:965501 4.9 59.0 1.0

Fluorine binding site 6 out of 6 in 4nqa

Go back to Fluorine Binding Sites List in 4nqa
Fluorine binding site 6 out of 6 in the Crystal Structure of Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna


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 Liganded Hrxr-Alpha/Hlxr-Beta Heterodimer on Dna within 5.0Å range:
probe atom residue distance (Å) B Occ
I:F501

b:59.0
occ:1.00
 F42 I:965501 0.0 59.0 1.0
C39 I:965501 1.3 59.0 1.0
F40 I:965501 2.2 59.0 1.0
F41 I:965501 2.2 59.0 1.0
C20 I:965501 2.3 59.0 1.0
C21 I:965501 2.7 59.0 1.0
C19 I:965501 3.6 59.0 1.0
CG2 I:VAL439 3.9 26.9 1.0
CD2 I:LEU442 4.0 62.9 1.0
NE2 I:HIS435 4.0 45.0 1.0
C22 I:965501 4.1 59.0 1.0
CZ3 I:TRP457 4.1 73.8 1.0
CE3 I:TRP457 4.2 73.8 1.0
CD2 I:HIS435 4.3 45.0 1.0
CL4 I:965501 4.4 59.0 1.0
CG I:GLN438 4.5 60.0 1.0
C18 I:965501 4.8 59.0 1.0
CA I:VAL439 4.8 26.9 1.0
C23 I:965501 4.9 59.0 1.0
N I:VAL439 4.9 26.9 1.0
CB I:VAL439 5.0 26.9 1.0

Reference:

X.Lou, G.Toresson, C.Benod, J.H.Suh, K.J.Philips, P.Webb, J.A.Gustafsson. Structure of the Retinoid X Receptor Alpha-Liver X Receptor Beta (Rxr Alpha-Lxr Beta ) Heterodimer on Dna. Nat.Struct.Mol.Biol. V. 21 277 2014.
ISSN: ISSN 1545-9993
PubMed: 24561505
DOI: 10.1038/NSMB.2778
Page generated: Sun Dec 13 12:09:08 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy