Fluorine in PDB 7y4g: Sit-Bound BTDPP4

The structure of Sit-Bound BTDPP4, PDB code: 7y4g was solved by J.Hang, C.Jiang, K.Wang, Z.Zhang, F.Guo, J.Liu, G.Wang, X.Lei, F.Gonzalez, J.Qiao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.79 / 1.97
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	165.298, 110.991, 134.392, 90, 91.17, 90
R / Rfree (%)	22.3 / 26.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Fluorine atom in the Sit-Bound BTDPP4 (pdb code 7y4g). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 18 binding sites of Fluorine where determined in the Sit-Bound BTDPP4, PDB code: 7y4g:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 18 in the Sit-Bound BTDPP4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Sit-Bound BTDPP4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:21.3 occ:1.00 F9 A:715801 0.0 21.3 1.0 C5 A:715801 1.4 21.9 1.0 C6 A:715801 2.4 20.8 1.0 C4 A:715801 2.6 21.6 1.0 F46 A:715801 2.7 21.7 1.0 CD2 A:TYR607 3.3 14.5 1.0 OH A:TYR642 3.4 21.0 1.0 CE1 A:TYR642 3.6 16.0 1.0 CB A:TYR607 3.6 15.7 1.0 CH2 A:TRP635 3.7 17.7 1.0 CZ A:TYR642 3.7 20.2 1.0 C1 A:715801 3.8 20.1 1.0 C3 A:715801 3.8 19.9 1.0 CG A:TYR607 4.0 17.0 1.0 CA A:TYR607 4.0 16.9 1.0 N A:TYR607 4.0 15.7 1.0 CG A:PRO632 4.1 18.0 1.0 CZ3 A:TRP635 4.1 16.4 1.0 C2 A:715801 4.3 20.1 1.0 CE2 A:TYR607 4.3 17.0 1.0 CD1 A:TYR642 4.5 16.7 1.0 OH A:TYR524 4.6 21.7 1.0 OG A:SER606 4.6 22.3 1.0 CE2 A:TYR642 4.7 19.0 1.0 CE2 A:TYR638 4.8 17.2 1.0 CZ2 A:TRP635 4.8 16.4 1.0 C A:SER606 4.9 18.3 1.0 CZ A:TYR638 5.0 18.7 1.0

Fluorine binding site 2 out of 18 in the Sit-Bound BTDPP4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Sit-Bound BTDPP4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:20.4 occ:1.00 F10 A:715801 0.0 20.4 1.0 C2 A:715801 1.3 20.1 1.0 C1 A:715801 2.3 20.1 1.0 C3 A:715801 2.5 19.9 1.0 C11 A:715801 3.0 22.2 1.0 ND2 A:ASN683 3.1 19.5 1.0 OE2 A:GLU201 3.1 19.9 1.0 N20 A:715801 3.2 18.0 1.0 NH2 A:ARG113 3.3 26.5 1.0 OD1 A:ASN683 3.4 16.4 1.0 CG A:ASN683 3.5 20.2 1.0 OH A:TYR638 3.5 17.6 1.0 C6 A:715801 3.7 20.8 1.0 C12 A:715801 3.7 21.4 1.0 O A:HOH1063 3.7 23.8 1.0 C4 A:715801 3.8 21.6 1.0 NE2 A:HIS713 3.8 17.9 1.0 CD2 A:HIS713 3.9 18.4 1.0 OG A:SER606 4.2 22.3 1.0 O A:HOH1330 4.2 35.6 1.0 C5 A:715801 4.3 21.9 1.0 CD A:GLU201 4.3 20.8 1.0 C15 A:715801 4.6 23.5 1.0 CZ A:ARG113 4.6 27.4 1.0 CB A:ASN683 4.8 16.9 1.0 CZ A:TYR638 4.8 18.7 1.0 F46 A:715801 4.8 21.7 1.0 CE1 A:HIS713 4.8 17.1 1.0 CG A:HIS713 4.9 19.8 1.0 CG A:GLU201 5.0 19.4 1.0

Fluorine binding site 3 out of 18 in the Sit-Bound BTDPP4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Sit-Bound BTDPP4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:44.8 occ:0.56 F43 A:715801 0.0 44.8 0.6 C42 A:715801 1.4 43.6 0.5 F45 A:715801 2.2 39.2 0.4 F44 A:715801 2.3 44.6 0.6 C39 A:715801 2.4 42.1 0.4 N40 A:715801 2.8 42.3 1.0 N27 A:715801 3.7 40.8 1.0 N41 A:715801 4.2 42.1 1.0 OE2 A:GLU342 4.5 38.4 1.0 C26 A:715801 4.6 36.9 0.8 C28 A:715801 4.6 39.1 0.8 OE1 A:GLU342 4.9 44.9 1.0

Fluorine binding site 4 out of 18 in the Sit-Bound BTDPP4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Sit-Bound BTDPP4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:44.6 occ:0.55 F44 A:715801 0.0 44.6 0.6 C42 A:715801 1.4 43.6 0.5 F45 A:715801 2.2 39.2 0.4 F43 A:715801 2.3 44.8 0.6 C39 A:715801 2.4 42.1 0.4 N27 A:715801 3.0 40.8 1.0 C26 A:715801 3.2 36.9 0.8 N40 A:715801 3.6 42.3 1.0 OE2 A:GLU342 4.3 38.4 1.0 C28 A:715801 4.3 39.1 0.8 O A:HOH944 4.3 26.0 1.0 N41 A:715801 4.5 42.1 1.0 CE1 A:HIS114 4.6 30.5 1.0 C25 A:715801 4.7 33.2 0.8 NE2 A:HIS114 4.8 25.0 1.0 CA A:GLY204 4.9 27.5 1.0

Fluorine binding site 5 out of 18 in the Sit-Bound BTDPP4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Sit-Bound BTDPP4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:39.2 occ:0.42 F45 A:715801 0.0 39.2 0.4 C42 A:715801 1.4 43.6 0.5 F44 A:715801 2.2 44.6 0.6 F43 A:715801 2.2 44.8 0.6 C39 A:715801 2.4 42.1 0.4 OE2 A:GLU342 2.7 38.4 1.0 N27 A:715801 3.0 40.8 1.0 N40 A:715801 3.4 42.3 1.0 C26 A:715801 3.4 36.9 0.8 CD A:GLU342 3.6 39.7 1.0 O A:GLY204 3.8 28.6 1.0 CA A:GLY204 3.8 27.5 1.0 OE1 A:GLU342 4.0 44.9 1.0 C28 A:715801 4.3 39.1 0.8 C A:GLY204 4.3 29.3 1.0 N41 A:715801 4.4 42.1 1.0 O A:PHE203 4.6 26.3 1.0 N A:GLY204 4.7 24.3 1.0 C25 A:715801 4.7 33.2 0.8 CG A:GLU342 4.9 35.4 1.0 O A:HOH944 4.9 26.0 1.0 C A:PHE203 5.0 27.3 1.0

Fluorine binding site 6 out of 18 in the Sit-Bound BTDPP4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Sit-Bound BTDPP4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:21.7 occ:1.00 F46 A:715801 0.0 21.7 1.0 C6 A:715801 1.3 20.8 1.0 C5 A:715801 2.4 21.9 1.0 C1 A:715801 2.5 20.1 1.0 F9 A:715801 2.7 21.3 1.0 CG A:PRO632 2.8 18.0 1.0 CG2 A:VAL684 3.1 15.1 1.0 OG A:SER606 3.5 22.3 1.0 CD A:PRO632 3.6 13.3 1.0 C2 A:715801 3.7 20.1 1.0 C4 A:715801 3.8 21.6 1.0 N A:TYR607 4.0 15.7 1.0 C A:SER606 4.1 18.3 1.0 CZ A:TYR638 4.2 18.7 1.0 CB A:PRO632 4.2 12.8 1.0 CE1 A:TYR638 4.3 16.2 1.0 C3 A:715801 4.3 19.9 1.0 OH A:TYR638 4.4 17.6 1.0 CA A:SER606 4.4 15.9 1.0 O A:SER606 4.6 17.1 1.0 CE1 A:HIS713 4.6 17.1 1.0 CB A:SER606 4.6 17.8 1.0 CA A:TYR607 4.6 16.9 1.0 CB A:VAL684 4.6 16.4 1.0 NE2 A:HIS713 4.6 17.9 1.0 N A:PRO632 4.6 14.2 1.0 CE2 A:TYR638 4.7 17.2 1.0 CD1 A:TYR638 4.8 15.5 1.0 F10 A:715801 4.8 20.4 1.0 CH2 A:TRP635 4.9 17.7 1.0 O A:ALA630 4.9 16.3 1.0 CG1 A:VAL684 5.0 14.3 1.0 CZ3 A:TRP635 5.0 16.4 1.0

Fluorine binding site 7 out of 18 in the Sit-Bound BTDPP4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Sit-Bound BTDPP4 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:22.5 occ:1.00 F9 B:715801 0.0 22.5 1.0 C5 B:715801 1.3 24.9 1.0 C6 B:715801 2.4 23.6 1.0 C4 B:715801 2.5 23.7 1.0 F46 B:715801 2.7 22.8 1.0 CD2 B:TYR607 3.3 21.3 1.0 OH B:TYR642 3.4 24.5 1.0 CH2 B:TRP635 3.6 20.0 1.0 CZ B:TYR642 3.6 25.3 1.0 CE1 B:TYR642 3.7 24.7 1.0 CB B:TYR607 3.7 19.1 1.0 C1 B:715801 3.7 19.7 1.0 C3 B:715801 3.8 25.3 1.0 CG B:TYR607 3.9 21.7 1.0 CA B:TYR607 4.0 19.9 1.0 N B:TYR607 4.0 20.4 1.0 CZ3 B:TRP635 4.2 18.4 1.0 CG B:PRO632 4.2 18.0 1.0 CE2 B:TYR607 4.2 20.7 1.0 C2 B:715801 4.3 23.2 1.0 CE2 B:TYR642 4.6 25.7 1.0 CD1 B:TYR642 4.6 25.4 1.0 OH B:TYR524 4.6 25.1 1.0 CZ2 B:TRP635 4.6 20.0 1.0 OG B:SER606 4.8 26.0 1.0 C B:SER606 4.8 18.3 1.0 CE2 B:TYR638 4.8 18.3 1.0 CD B:PRO632 5.0 17.3 1.0

Fluorine binding site 8 out of 18 in the Sit-Bound BTDPP4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Sit-Bound BTDPP4 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:24.1 occ:1.00 F10 B:715801 0.0 24.1 1.0 C2 B:715801 1.3 23.2 1.0 C3 B:715801 2.4 25.3 1.0 C1 B:715801 2.4 19.7 1.0 C11 B:715801 2.9 26.0 1.0 ND2 B:ASN683 3.0 15.8 1.0 N20 B:715801 3.2 25.1 1.0 NH2 B:ARG113 3.2 26.8 1.0 OE2 B:GLU201 3.3 26.3 1.0 OD1 B:ASN683 3.4 19.5 1.0 CG B:ASN683 3.5 19.7 1.0 OH B:TYR638 3.6 18.8 1.0 C12 B:715801 3.6 27.6 1.0 O B:HOH1052 3.7 25.8 1.0 C6 B:715801 3.8 23.6 1.0 C4 B:715801 3.8 23.7 1.0 NE2 B:HIS713 3.9 19.9 1.0 CD2 B:HIS713 3.9 20.4 1.0 OG B:SER606 4.1 26.0 1.0 C5 B:715801 4.3 24.9 1.0 O B:HOH1203 4.4 40.5 1.0 CD B:GLU201 4.4 24.2 1.0 CZ B:ARG113 4.6 28.5 1.0 C15 B:715801 4.6 27.9 1.0 CB B:ASN683 4.8 17.7 1.0 CE1 B:HIS713 4.8 19.6 1.0 CZ B:TYR638 4.8 19.1 1.0 CG B:HIS713 4.9 19.8 1.0 F46 B:715801 4.9 22.8 1.0

Fluorine binding site 9 out of 18 in the Sit-Bound BTDPP4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Sit-Bound BTDPP4 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:53.0 occ:0.67 F43 B:715801 0.0 53.0 0.7 C42 B:715801 1.4 52.1 0.6 F44 B:715801 2.2 55.6 0.6 C39 B:715801 2.3 51.0 0.6 F45 B:715801 2.3 50.4 0.8 N40 B:715801 2.6 53.3 1.0 O B:HOH1059 2.7 59.4 1.0 N27 B:715801 3.6 48.5 1.0 N41 B:715801 4.0 51.8 1.0 OE1 B:GLU342 4.2 48.1 1.0 C28 B:715801 4.4 46.8 0.5 C26 B:715801 4.5 43.6 1.0 OE2 B:GLU342 4.5 45.7 1.0 CD B:GLU342 4.9 44.1 1.0

Fluorine binding site 10 out of 18 in the Sit-Bound BTDPP4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Sit-Bound BTDPP4 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:55.6 occ:0.58 F44 B:715801 0.0 55.6 0.6 C42 B:715801 1.4 52.1 0.6 F43 B:715801 2.2 53.0 0.7 F45 B:715801 2.2 50.4 0.8 C39 B:715801 2.3 51.0 0.6 O B:HOH1059 2.9 59.4 1.0 N27 B:715801 3.0 48.5 1.0 N40 B:715801 3.3 53.3 1.0 C26 B:715801 3.4 43.6 1.0 C28 B:715801 4.2 46.8 0.5 N41 B:715801 4.3 51.8 1.0 C25 B:715801 4.9 37.2 1.0

J.Hang, C.Jiang, K.Wang, Z.Zhang, F.Guo, J.Liu, G.Wang, X.Lei, F.Gonzalez, J.Qiao. Sit-Bound BTDPP4 To Be Published.