Fluorine in PDB 8is4: Structure of An Isocytosine Specific Deaminase Vcz in Complexed with 5-Fu

The structure of Structure of An Isocytosine Specific Deaminase Vcz in Complexed with 5-Fu, PDB code: 8is4 was solved by W.T.Guo, X.J.Li, B.X.Wu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.67 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.388, 107.986, 120.571, 90, 90, 90
R / Rfree (%)	15.5 / 18.9

The structure of Structure of An Isocytosine Specific Deaminase Vcz in Complexed with 5-Fu also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Fluorine atom in the Structure of An Isocytosine Specific Deaminase Vcz in Complexed with 5-Fu (pdb code 8is4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of An Isocytosine Specific Deaminase Vcz in Complexed with 5-Fu, PDB code: 8is4:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of An Isocytosine Specific Deaminase Vcz in Complexed with 5-Fu


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of An Isocytosine Specific Deaminase Vcz in Complexed with 5-Fu within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:39.6 occ:0.59 F5 A:URF501 0.0 39.6 0.6 C5 A:URF501 1.3 34.5 0.6 C6 A:URF501 2.3 33.1 0.6 C4 A:URF501 2.4 34.5 0.6 O4 A:URF501 2.9 28.6 0.6 OH A:TYR130 3.1 29.0 1.0 N1 A:URF501 3.6 34.5 0.6 N3 A:URF501 3.6 33.5 0.6 CZ A:TYR130 3.7 28.0 1.0 SG A:CYS207 3.8 31.5 1.0 CD2 A:LEU91 4.1 24.1 1.0 C2 A:URF501 4.1 32.9 0.6 OH A:TYR95 4.2 35.1 1.0 CE1 A:TYR130 4.2 28.6 1.0 CE2 A:TYR130 4.3 23.1 1.0 CE1 A:HIS234 4.4 23.1 1.0 CZ3 A:TRP90 4.7 25.2 1.0 ND1 A:HIS234 4.8 22.7 1.0

Fluorine binding site 2 out of 2 in the Structure of An Isocytosine Specific Deaminase Vcz in Complexed with 5-Fu


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of An Isocytosine Specific Deaminase Vcz in Complexed with 5-Fu within 5.0Å range: probe atom residue distance (Å) B Occ B:F502 b:43.6 occ:0.62 F5 B:URF502 0.0 43.6 0.6 C5 B:URF502 1.3 38.1 0.6 C6 B:URF502 2.3 36.4 0.6 C4 B:URF502 2.4 35.8 0.6 O4 B:URF502 2.9 30.3 0.6 OH B:TYR130 3.4 37.2 1.0 N1 B:URF502 3.6 36.3 0.6 N3 B:URF502 3.6 35.1 0.6 SG B:CYS207 3.7 36.0 1.0 CZ B:TYR130 3.8 33.8 1.0 CE1 B:HIS234 4.0 27.0 1.0 C2 B:URF502 4.1 37.9 0.6 CE2 B:TYR130 4.3 28.1 1.0 ND1 B:HIS234 4.4 26.2 1.0 CE1 B:TYR130 4.5 31.5 1.0 CD2 B:LEU91 4.6 31.6 1.0 NE2 B:HIS234 4.7 21.9 1.0 OH B:TYR95 4.8 38.2 1.0

W.Guo, X.Li, J.Fan, H.Li, Y.Wen, C.Meng, H.Chen, Z.Zhao, Y.Zhang, Y.Du, B.Wu. Structural Characterization of An Isocytosine-Specific Deaminase Vcz Reveals Its Application Potential in the Anti-Cancer Therapy Iscience 2023.
ISSN: ESSN 2589-0042
DOI: 10.1016/J.ISCI.2023.107672