1.710 Å
X-ray
2016-03-04
Name: | N6-adenosine-methyltransferase 70 kDa subunit |
---|---|
ID: | MTA70_HUMAN |
AC: | Q86U44 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 100 % |
B-Factor: | 44.826 |
---|---|
Number of residues: | 32 |
Including | |
Standard Amino Acids: | 32 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.494 | 621.000 |
% Hydrophobic | % Polar |
---|---|
42.39 | 57.61 |
According to VolSite |
HET Code: | SAM |
---|---|
Formula: | C15H23N6O5S |
Molecular weight: | 399.445 g/mol |
DrugBank ID: | DB00118 |
Buried Surface Area: | 73.84 % |
Polar Surface area: | 189.77 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 9 |
H-Bond Donors: | 4 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 1 |
Cationic atoms: | 2 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 7 |
X | Y | Z |
---|---|---|
30.3328 | 21.3932 | 26.8944 |
Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand
Ligand | Protein | Interaction | |||
---|---|---|---|---|---|
Atom | Atom | Residue | Distance (Å) | Angle (°) | Type |
N6 | OD2 | ASP- 377 | 2.93 | 164.19 | H-Bond (Ligand Donor) |
N1 | N | ILE- 378 | 2.9 | 172.33 | H-Bond (Protein Donor) |
N | OD2 | ASP- 395 | 2.89 | 166.02 | H-Bond (Ligand Donor) |
N | OD2 | ASP- 395 | 2.89 | 0 | Ionic (Ligand Cationic) |
CG | CB | ASP- 395 | 4.09 | 0 | Hydrophobic |
C5' | CB | PRO- 397 | 4.21 | 0 | Hydrophobic |
C2' | CB | TYR- 406 | 4.27 | 0 | Hydrophobic |
CE | CB | SER- 511 | 4.14 | 0 | Hydrophobic |
O | N | LYS- 513 | 2.97 | 162 | H-Bond (Protein Donor) |
N | OE2 | GLU- 532 | 3.93 | 0 | Ionic (Ligand Cationic) |
C1' | CD1 | PHE- 534 | 4.22 | 0 | Hydrophobic |
C4' | CB | PHE- 534 | 3.91 | 0 | Hydrophobic |
CB | CD | ARG- 536 | 3.97 | 0 | Hydrophobic |
O3' | NH1 | ARG- 536 | 2.99 | 147.7 | H-Bond (Protein Donor) |
O | ND2 | ASN- 539 | 3.11 | 159.03 | H-Bond (Protein Donor) |
O2' | OD1 | ASN- 549 | 2.7 | 155.65 | H-Bond (Ligand Donor) |
N3 | N | ASN- 549 | 3.25 | 127.94 | H-Bond (Protein Donor) |