Fluorine in PDB 1mht: Covalent Ternary Structure of Hhai Methyltransferase, Dna and S- Adenosyl-L-Homocysteine

All present enzymatic activity of Covalent Ternary Structure of Hhai Methyltransferase, Dna and S- Adenosyl-L-Homocysteine:
2.1.1.73;

The structure of Covalent Ternary Structure of Hhai Methyltransferase, Dna and S- Adenosyl-L-Homocysteine, PDB code: 1mht was solved by X.Cheng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.60
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	99.860, 99.860, 325.200, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / n/a

The binding sites of Fluorine atom in the Covalent Ternary Structure of Hhai Methyltransferase, Dna and S- Adenosyl-L-Homocysteine (pdb code 1mht). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Covalent Ternary Structure of Hhai Methyltransferase, Dna and S- Adenosyl-L-Homocysteine, PDB code: 1mht:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Covalent Ternary Structure of Hhai Methyltransferase, Dna and S- Adenosyl-L-Homocysteine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Covalent Ternary Structure of Hhai Methyltransferase, Dna and S- Adenosyl-L-Homocysteine within 5.0Å range: probe atom residue distance (Å) B Occ B:F407 b:20.0 occ:1.00 F B:C36407 0.0 20.0 1.0 C5 B:C36407 1.4 16.2 1.0 C6 B:C36407 2.3 24.8 1.0 C4 B:C36407 2.5 22.9 1.0 N4 B:C36407 2.9 25.9 1.0 C8 B:DG406 3.5 16.4 1.0 O A:GLN237 3.5 17.7 1.0 N1 B:C36407 3.6 23.6 1.0 CD A:GLU239 3.6 23.9 1.0 N3 B:C36407 3.6 20.6 1.0 N9 B:DG406 3.7 17.0 1.0 OE2 A:GLU239 3.7 32.0 1.0 OE1 A:GLU239 3.7 18.7 1.0 N7 B:DG406 3.7 19.4 1.0 C5 B:DG406 4.0 14.6 1.0 C4 B:DG406 4.0 13.4 1.0 C2' B:DG406 4.1 21.9 1.0 C2 B:C36407 4.2 25.0 1.0 C1' B:DG406 4.2 18.2 1.0 CG A:GLU239 4.3 18.6 1.0 N A:GLN237 4.5 16.8 1.0 CA A:GLY257 4.5 11.7 1.0 C A:GLY236 4.5 18.9 1.0 O4' B:C36407 4.6 29.1 1.0 C A:GLN237 4.6 14.2 1.0 CA A:GLY236 4.6 17.3 1.0 O6 B:DG408 4.7 14.6 1.0 C1' B:C36407 4.8 23.8 1.0 N3 B:DG406 4.8 15.6 1.0 N A:GLY257 4.8 13.6 1.0 C6 B:DG406 4.8 19.1 1.0

Fluorine binding site 2 out of 2 in the Covalent Ternary Structure of Hhai Methyltransferase, Dna and S- Adenosyl-L-Homocysteine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Covalent Ternary Structure of Hhai Methyltransferase, Dna and S- Adenosyl-L-Homocysteine within 5.0Å range: probe atom residue distance (Å) B Occ C:F427 b:20.0 occ:1.00 F C:C36427 0.0 20.0 1.0 C5 C:C36427 1.2 2.5 1.0 C C:C36427 1.3 20.0 1.0 C4 C:C36427 2.0 12.4 1.0 N4 C:C36427 2.1 10.9 1.0 C6 C:C36427 2.3 8.3 1.0 N A:CYS81 2.7 17.9 1.0 CB A:CYS81 2.8 21.5 1.0 O A:PHE79 2.9 7.5 1.0 SG A:CYS81 3.1 16.8 1.0 N3 C:C36427 3.2 13.3 1.0 C A:PRO80 3.3 11.7 1.0 CA A:CYS81 3.3 20.2 1.0 N1 C:C36427 3.4 4.6 1.0 CA A:PRO80 3.5 8.2 1.0 C A:PHE79 3.8 8.8 1.0 C2 C:C36427 3.8 11.7 1.0 N A:PRO80 4.0 7.0 1.0 O A:PRO80 4.1 10.9 1.0 O A:GLY78 4.3 8.1 1.0 ND2 A:ASN120 4.5 6.0 1.0 C A:CYS81 4.6 20.2 1.0 NE2 A:GLN82 4.7 28.3 1.0 C1' C:C36427 4.8 4.4 1.0 C A:GLY78 4.9 7.4 1.0 CB A:PRO80 4.9 5.6 1.0 SD A:SAH328 4.9 13.1 1.0 C5' A:SAH328 5.0 8.4 1.0

S.Klimasauskas, S.Kumar, R.J.Roberts, X.Cheng. Hhai Methyltransferase Flips Its Target Base Out of the Dna Helix. Cell(Cambridge,Mass.) V. 76 357 1994.
ISSN: ISSN 0092-8674
PubMed: 8293469
DOI: 10.1016/0092-8674(94)90342-5