Fluorine in PDB 7n27: Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261

The structure of Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261, PDB code: 7n27 was solved by S.Beldar, A.Dong, P.Loppnau, J.Min, C.H.Arrowsmith, A.M.Edwards, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.64 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.971, 76.386, 80.628, 90, 90, 90
R / Rfree (%)	22.5 / 26.2

The structure of Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261 also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261 (pdb code 7n27). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 30 binding sites of Fluorine where determined in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261, PDB code: 7n27:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261


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 Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range: probe atom residue distance (Å) B Occ G:F1001 b:25.8 occ:1.00 FD1 G:PF51001 0.0 25.8 1.0 CD1 G:PF51001 1.3 27.0 1.0 CE1 G:PF51001 2.2 30.5 1.0 CG G:PF51001 2.4 25.6 1.0 FE1 G:PF51001 2.6 29.2 1.0 CB G:PF51001 2.9 22.8 1.0 N G:PF51001 3.0 21.4 1.0 C5 G:MN11000 3.2 26.5 1.0 CE2 J:PHE1003 3.2 22.2 1.0 O A:VAL100 3.3 20.3 1.0 C G:MN11000 3.5 23.0 1.0 CA G:PF51001 3.5 22.2 1.0 CZ G:PF51001 3.5 33.9 1.0 CD2 G:PF51001 3.6 26.7 1.0 C4 G:MN11000 3.7 25.7 1.0 CZ J:PHE1003 3.8 23.8 1.0 CD2 J:PHE1003 3.8 22.1 1.0 CG1 A:VAL100 4.0 23.8 1.0 CE2 G:PF51001 4.0 32.1 1.0 C A:VAL100 4.1 22.1 1.0 O D:GLN97 4.1 22.1 0.5 O1 G:MN11000 4.3 21.6 1.0 CB A:VAL100 4.3 22.3 1.0 CB A:ASN101 4.3 26.1 1.0 C6 G:MN11000 4.4 27.5 1.0 O D:GLN97 4.4 21.6 0.5 FZ G:PF51001 4.5 47.7 1.0 C G:PF51001 4.5 19.9 1.0 ND2 A:ASN101 4.6 28.0 1.0 O G:PF51001 4.7 21.9 1.0 CG J:PHE1003 4.7 23.1 1.0 CE1 J:PHE1003 4.7 24.4 1.0 FD2 G:PF51001 4.7 26.6 1.0 CG A:ASN101 4.8 27.2 1.0 CA A:VAL100 4.8 21.8 1.0 N A:ASN101 4.9 23.2 1.0

Fluorine binding site 2 out of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261


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 Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range: probe atom residue distance (Å) B Occ G:F1001 b:26.6 occ:1.00 FD2 G:PF51001 0.0 26.6 1.0 CD2 G:PF51001 1.3 26.7 1.0 CE2 G:PF51001 2.3 32.1 1.0 CG G:PF51001 2.4 25.6 1.0 FE2 G:PF51001 2.6 36.0 1.0 CB G:PF51001 2.8 22.8 1.0 CG D:GLU58 3.1 41.5 1.0 C A:TYR61 3.2 23.0 1.0 N A:GLU62 3.2 22.3 1.0 O A:TYR61 3.4 22.1 1.0 CA A:GLU62 3.4 24.0 1.0 CB D:GLU58 3.4 38.5 1.0 CA G:PF51001 3.5 22.2 1.0 CZ G:PF51001 3.6 33.9 1.0 CD1 G:PF51001 3.6 27.0 1.0 CA A:TYR61 3.8 25.6 1.0 N A:TYR61 3.9 25.1 1.0 CB A:GLU62 4.0 26.9 1.0 CE1 G:PF51001 4.1 30.5 1.0 O1 G:MN11000 4.3 21.6 1.0 C A:LEU60 4.3 28.4 1.0 CE1 J:PHE1003 4.4 24.4 1.0 CD D:GLU58 4.4 42.7 1.0 CB A:LEU60 4.5 33.2 1.0 N G:PF51001 4.5 21.4 1.0 CG A:GLU62 4.5 30.3 1.0 FZ G:PF51001 4.5 47.7 1.0 O A:LEU60 4.6 24.6 1.0 O A:HOH308 4.6 33.7 1.0 CZ J:PHE1003 4.7 23.8 1.0 C A:GLU62 4.7 23.1 1.0 C G:PF51001 4.7 19.9 1.0 C G:MN11000 4.7 23.0 1.0 FD1 G:PF51001 4.7 25.8 1.0 CD1 J:PHE1003 4.8 24.0 1.0 N G:ALA1002 4.8 19.8 1.0 CA D:GLU58 4.9 32.9 1.0 OE2 D:GLU58 4.9 39.4 1.0

Fluorine binding site 3 out of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261


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 Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range: probe atom residue distance (Å) B Occ G:F1001 b:29.2 occ:1.00 FE1 G:PF51001 0.0 29.2 1.0 CE1 G:PF51001 1.3 30.5 1.0 CZ G:PF51001 2.3 33.9 1.0 CD1 G:PF51001 2.4 27.0 1.0 FZ G:PF51001 2.6 47.7 1.0 FD1 G:PF51001 2.6 25.8 1.0 CD2 J:PHE1003 3.1 22.1 1.0 O D:GLN97 3.2 22.1 0.5 CD2 D:HIS98 3.4 27.3 1.0 C5 G:MN11000 3.4 26.5 1.0 CE2 G:PF51001 3.6 32.1 1.0 CE2 J:PHE1003 3.6 22.2 1.0 CG G:PF51001 3.6 25.6 1.0 CA D:HIS98 3.6 20.6 1.0 O D:GLN97 3.7 21.6 0.5 CG J:PHE1003 3.7 23.1 1.0 CG D:HIS98 4.0 26.0 1.0 NE2 D:HIS98 4.0 28.1 1.0 C D:GLN97 4.0 22.4 0.5 CD2 G:PF51001 4.1 26.7 1.0 CB J:PHE1003 4.1 23.0 1.0 C D:GLN97 4.2 22.8 0.5 C6 G:MN11000 4.2 27.5 1.0 N D:HIS98 4.2 22.1 1.0 CB D:HIS98 4.4 22.9 1.0 CZ J:PHE1003 4.5 23.8 1.0 FE2 G:PF51001 4.5 36.0 1.0 C D:HIS98 4.6 20.8 1.0 CD1 J:PHE1003 4.6 24.0 1.0 O D:HIS98 4.6 20.3 1.0 C4 G:MN11000 4.7 25.7 1.0 C G:MN11000 4.7 23.0 1.0 ND1 D:HIS98 4.8 30.4 1.0 CB G:PF51001 4.8 22.8 1.0 CE1 D:HIS98 4.8 29.9 1.0 N G:PF51001 4.9 21.4 1.0 CE1 J:PHE1003 5.0 24.4 1.0

Fluorine binding site 4 out of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261


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 Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range: probe atom residue distance (Å) B Occ G:F1001 b:36.0 occ:1.00 FE2 G:PF51001 0.0 36.0 1.0 CE2 G:PF51001 1.2 32.1 1.0 CZ G:PF51001 2.3 33.9 1.0 CD2 G:PF51001 2.3 26.7 1.0 FZ G:PF51001 2.6 47.7 1.0 FD2 G:PF51001 2.6 26.6 1.0 CG D:GLU58 3.1 41.5 1.0 CE1 G:PF51001 3.5 30.5 1.0 OE2 D:GLU58 3.5 39.4 1.0 CG G:PF51001 3.5 25.6 1.0 CB D:GLU58 3.6 38.5 1.0 CD D:GLU58 3.6 42.7 1.0 CD1 G:PF51001 4.0 27.0 1.0 CG A:GLU62 4.0 30.3 1.0 CB A:GLU62 4.1 26.9 1.0 CD1 J:PHE1003 4.2 24.0 1.0 OE1 A:GLU62 4.2 36.7 1.0 CD A:GLU62 4.3 36.2 1.0 CA A:GLU62 4.4 24.0 1.0 CG J:PHE1003 4.5 23.1 1.0 FE1 G:PF51001 4.5 29.2 1.0 CE1 J:PHE1003 4.6 24.4 1.0 OE1 D:GLU58 4.6 49.9 1.0 N A:GLU62 4.7 22.3 1.0 CB G:PF51001 4.7 22.8 1.0 CB J:PHE1003 4.8 23.0 1.0 O1 G:MN11000 5.0 21.6 1.0

Fluorine binding site 5 out of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261


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 Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range: probe atom residue distance (Å) B Occ G:F1001 b:47.7 occ:1.00 FZ G:PF51001 0.0 47.7 1.0 CZ G:PF51001 1.2 33.9 1.0 CE1 G:PF51001 2.2 30.5 1.0 CE2 G:PF51001 2.3 32.1 1.0 FE1 G:PF51001 2.6 29.2 1.0 FE2 G:PF51001 2.6 36.0 1.0 NE2 D:HIS98 3.2 28.1 1.0 CB J:PHE1003 3.5 23.0 1.0 CD1 G:PF51001 3.5 27.0 1.0 CD2 G:PF51001 3.5 26.7 1.0 CD2 D:HIS98 3.5 27.3 1.0 CG J:PHE1003 3.6 23.1 1.0 CE1 D:HIS98 3.7 29.9 1.0 CD2 J:PHE1003 3.9 22.1 1.0 CG G:PF51001 4.0 25.6 1.0 CG D:HIS98 4.1 26.0 1.0 CD1 J:PHE1003 4.1 24.0 1.0 ND1 D:HIS98 4.2 30.4 1.0 FD1 G:PF51001 4.5 25.8 1.0 FD2 G:PF51001 4.5 26.6 1.0 CE2 J:PHE1003 4.7 22.2 1.0 C5 G:MN11000 4.8 26.5 1.0 CE1 J:PHE1003 4.9 24.4 1.0 CA J:PHE1003 5.0 23.2 1.0

Fluorine binding site 6 out of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261


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 Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range: probe atom residue distance (Å) B Occ H:F1001 b:29.5 occ:1.00 FD1 H:PF51001 0.0 29.5 1.0 CD1 H:PF51001 1.3 28.8 1.0 CE1 H:PF51001 2.2 32.5 1.0 CG H:PF51001 2.3 27.3 1.0 FE1 H:PF51001 2.7 33.0 1.0 CB H:PF51001 2.8 23.0 1.0 N H:PF51001 2.9 20.1 1.0 CE2 I:PHE1003 3.2 29.1 1.0 O B:VAL100 3.3 18.9 1.0 CA H:PF51001 3.4 21.4 1.0 C H:MN11000 3.5 21.4 1.0 CZ H:PF51001 3.5 34.6 1.0 C3 H:MN11000 3.5 25.4 1.0 CD2 H:PF51001 3.6 31.0 1.0 CZ I:PHE1003 3.8 31.1 1.0 CD2 I:PHE1003 3.8 28.9 1.0 C4 H:MN11000 3.8 23.3 1.0 CG1 B:VAL100 4.0 23.2 1.0 CE2 H:PF51001 4.0 33.7 1.0 O C:GLN97 4.2 27.7 1.0 C B:VAL100 4.2 20.6 1.0 O1 H:MN11000 4.2 23.2 1.0 CB B:ASN101 4.3 22.9 1.0 CB B:VAL100 4.4 22.3 1.0 FZ H:PF51001 4.4 42.2 1.0 C H:PF51001 4.5 21.3 1.0 C2 H:MN11000 4.5 25.6 1.0 ND2 B:ASN101 4.6 25.7 1.0 O H:PF51001 4.6 21.9 1.0 CE1 I:PHE1003 4.7 29.1 1.0 FD2 H:PF51001 4.7 32.6 1.0 CG I:PHE1003 4.7 31.4 1.0 CG B:ASN101 4.8 26.0 1.0 CA B:VAL100 4.9 20.9 1.0 N B:ASN101 4.9 21.2 1.0

Fluorine binding site 7 out of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261


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 Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range: probe atom residue distance (Å) B Occ H:F1001 b:32.6 occ:1.00 FD2 H:PF51001 0.0 32.6 1.0 CD2 H:PF51001 1.3 31.0 1.0 CE2 H:PF51001 2.3 33.7 1.0 CG H:PF51001 2.4 27.3 1.0 FE2 H:PF51001 2.7 39.9 1.0 CB H:PF51001 2.8 23.0 1.0 C B:TYR61 3.0 23.9 1.0 N B:GLU62 3.1 24.4 1.0 O B:TYR61 3.1 23.5 1.0 CA B:GLU62 3.3 25.2 1.0 CA H:PF51001 3.5 21.4 1.0 CZ H:PF51001 3.6 34.6 1.0 CD1 H:PF51001 3.7 28.8 1.0 CA B:TYR61 3.7 24.9 1.0 N B:TYR61 3.9 24.9 1.0 CB B:GLU62 3.9 28.6 1.0 CB C:GLU58 4.0 46.2 1.0 CE1 H:PF51001 4.1 32.5 1.0 CG C:GLU58 4.2 45.9 1.0 C B:LEU60 4.2 30.1 1.0 O1 H:MN11000 4.2 23.2 1.0 CE1 I:PHE1003 4.3 29.1 1.0 CB B:LEU60 4.4 33.8 1.0 CG B:GLU62 4.5 34.3 1.0 N H:PF51001 4.5 20.1 1.0 O B:LEU60 4.5 31.9 1.0 FZ H:PF51001 4.5 42.2 1.0 C B:GLU62 4.7 23.4 1.0 CZ I:PHE1003 4.7 31.1 1.0 C H:PF51001 4.7 21.3 1.0 N H:ALA1002 4.7 19.2 1.0 FD1 H:PF51001 4.7 29.5 1.0 C H:MN11000 4.7 21.4 1.0 CD1 I:PHE1003 4.8 29.8 1.0 O B:HOH212 4.8 31.3 1.0 CA B:LEU60 4.9 31.9 1.0

Fluorine binding site 8 out of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261


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 Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range: probe atom residue distance (Å) B Occ H:F1001 b:33.0 occ:1.00 FE1 H:PF51001 0.0 33.0 1.0 CE1 H:PF51001 1.4 32.5 1.0 CZ H:PF51001 2.4 34.6 1.0 CD1 H:PF51001 2.4 28.8 1.0 FZ H:PF51001 2.6 42.2 1.0 FD1 H:PF51001 2.7 29.5 1.0 O C:GLN97 3.2 27.7 1.0 CD2 C:HIS98 3.3 36.6 1.0 CD2 I:PHE1003 3.3 28.9 1.0 C3 H:MN11000 3.6 25.4 1.0 CA C:HIS98 3.6 27.5 1.0 CE2 H:PF51001 3.6 33.7 1.0 CG H:PF51001 3.7 27.3 1.0 CE2 I:PHE1003 3.8 29.1 1.0 C C:GLN97 3.9 28.1 1.0 CG C:HIS98 3.9 33.4 1.0 CG I:PHE1003 4.0 31.4 1.0 NE2 C:HIS98 4.0 38.0 1.0 N C:HIS98 4.0 26.9 1.0 CD2 H:PF51001 4.2 31.0 1.0 C2 H:MN11000 4.2 25.6 1.0 CB I:PHE1003 4.3 30.5 1.0 CB C:HIS98 4.3 31.0 1.0 C C:HIS98 4.5 27.4 1.0 FE2 H:PF51001 4.6 39.9 1.0 O C:HIS98 4.7 23.1 1.0 CZ I:PHE1003 4.7 31.1 1.0 C4 H:MN11000 4.7 23.3 1.0 C H:MN11000 4.8 21.4 1.0 CD1 I:PHE1003 4.8 29.8 1.0 CB H:PF51001 4.9 23.0 1.0 ND1 C:HIS98 4.9 37.6 1.0 CE1 C:HIS98 4.9 40.4 1.0 N H:PF51001 4.9 20.1 1.0

Fluorine binding site 9 out of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261


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 Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range: probe atom residue distance (Å) B Occ H:F1001 b:39.9 occ:1.00 FE2 H:PF51001 0.0 39.9 1.0 CE2 H:PF51001 1.3 33.7 1.0 CZ H:PF51001 2.3 34.6 1.0 CD2 H:PF51001 2.3 31.0 1.0 FZ H:PF51001 2.5 42.2 1.0 FD2 H:PF51001 2.7 32.6 1.0 CG C:GLU58 3.3 45.9 1.0 CE1 H:PF51001 3.5 32.5 1.0 CG H:PF51001 3.6 27.3 1.0 CB C:GLU58 3.7 46.2 1.0 CG B:GLU62 3.9 34.3 1.0 CB B:GLU62 3.9 28.6 1.0 CD1 H:PF51001 4.0 28.8 1.0 CD C:GLU58 4.1 44.7 1.0 OE1 B:GLU62 4.1 41.1 1.0 CD B:GLU62 4.2 38.8 1.0 CA B:GLU62 4.3 25.2 1.0 CD1 I:PHE1003 4.3 29.8 1.0 N B:GLU62 4.6 24.4 1.0 FE1 H:PF51001 4.6 33.0 1.0 CG I:PHE1003 4.7 31.4 1.0 O B:HOH209 4.7 41.4 1.0 CE1 I:PHE1003 4.7 29.1 1.0 CB H:PF51001 4.7 23.0 1.0 CB I:PHE1003 4.9 30.5 1.0 O1 H:MN11000 5.0 23.2 1.0

Fluorine binding site 10 out of 30 in the Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261


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 Chromodomain of Cdyl in Complex with Inhibitor UNC6261 within 5.0Å range: probe atom residue distance (Å) B Occ H:F1001 b:42.2 occ:1.00 FZ H:PF51001 0.0 42.2 1.0 CZ H:PF51001 1.2 34.6 1.0 CE2 H:PF51001 2.2 33.7 1.0 CE1 H:PF51001 2.2 32.5 1.0 FE2 H:PF51001 2.5 39.9 1.0 FE1 H:PF51001 2.6 33.0 1.0 NE2 C:HIS98 3.4 38.0 1.0 CD1 H:PF51001 3.4 28.8 1.0 CD2 H:PF51001 3.4 31.0 1.0 CD2 C:HIS98 3.5 36.6 1.0 CB I:PHE1003 3.7 30.5 1.0 CG I:PHE1003 3.8 31.4 1.0 CG H:PF51001 3.9 27.3 1.0 CE1 C:HIS98 4.0 40.4 1.0 CD2 I:PHE1003 4.1 28.9 1.0 CG C:HIS98 4.2 33.4 1.0 CD1 I:PHE1003 4.3 29.8 1.0 ND1 C:HIS98 4.4 37.6 1.0 FD1 H:PF51001 4.4 29.5 1.0 FD2 H:PF51001 4.5 32.6 1.0 C3 H:MN11000 4.8 25.4 1.0 CE2 I:PHE1003 4.9 29.1 1.0 CD B:GLU62 5.0 38.8 1.0 CG B:GLU62 5.0 34.3 1.0

S.Beldar, A.Dong, P.Loppnau, J.Min, C.H.Arrowsmith, A.M.Edwards, Structural Genomics Consortium (Sgc). Crystal Structure of Chromodomain of Cdyl in Complex with Inhibitor UNC6261 To Be Published.