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Fluorine in PDB 7rwh: Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998
Enzymatic activity of Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998
All present enzymatic activity of Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998:
2.5.1.6;
2.5.1.6;
Protein crystallography data
The structure of Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998, PDB code: 7rwh
was solved by
L.Jin,
A.K.Padyana,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 35.95 / 1.17 |
| Space group | I 2 2 2 |
| Cell size a, b, c (Å), α, β, γ (°) | 68.56, 94.11, 116.69, 90, 90, 90 |
| R / Rfree (%) | 11.4 / 13.4 |
Other elements in 7rwh:
The structure of Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998 also contains other interesting chemical elements:
| Chlorine | (Cl) | 1 atom |
| Magnesium | (Mg) | 3 atoms |
| Bromine | (Br) | 1 atom |
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998
(pdb code 7rwh). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998, PDB code: 7rwh:
Jump to Fluorine binding site number: 1; 2; 3;
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998, PDB code: 7rwh:
Jump to Fluorine binding site number: 1; 2; 3;
Fluorine binding site 1 out of 3 in 7rwh
Go back to
Fluorine Binding Sites List in 7rwh
Fluorine binding site 1 out
of 3 in the Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998
Mono view
Stereo pair view
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 Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998 within 5.0Å range:
|
Fluorine binding site 2 out of 3 in 7rwh
Go back to
Fluorine Binding Sites List in 7rwh
Fluorine binding site 2 out
of 3 in the Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998
Mono view
Stereo pair view
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 Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998 within 5.0Å range:
|
Fluorine binding site 3 out of 3 in 7rwh
Go back to
Fluorine Binding Sites List in 7rwh
Fluorine binding site 3 out
of 3 in the Crystal Structure of Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998
Mono view
Stereo pair view
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 Human Methionine Adenosyltransferase 2A (MAT2A) in Complex with Sam and Allosteric Inhibitor Agi-41998 within 5.0Å range:
|
Reference:
M.Li,
Z.Konteatis,
N.Nagaraja,
Y.Chen,
S.Zhou,
G.Ma,
S.Gross,
K.Marjon,
M.L.Hyer,
E.Mandley,
M.Lein,
A.K.Padyana,
L.Jin,
S.Tong,
R.Peters,
J.Murtie,
J.Travins,
M.Medeiros,
P.Liu,
V.Frank,
E.T.Judd,
S.A.Biller,
K.M.Marks,
Z.Sui,
S.K.Reznik.
Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads. J.Med.Chem. V. 65 4600 2022.
ISSN: ISSN 0022-2623
PubMed: 35293760
DOI: 10.1021/ACS.JMEDCHEM.1C01595
Page generated: Tue Jul 15 23:59:05 2025
ISSN: ISSN 0022-2623
PubMed: 35293760
DOI: 10.1021/ACS.JMEDCHEM.1C01595
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