2.200 Å
X-ray
2002-05-15
Name: | NAD-dependent malic enzyme, mitochondrial |
---|---|
ID: | MAOM_HUMAN |
AC: | P23368 |
Organism: | Homo sapiens |
Reign: | Eukaryota |
TaxID: | 9606 |
EC Number: | 1.1.1.38 |
Chain Name: | Percentage of Residues within binding site |
---|---|
D | 100 % |
B-Factor: | 33.889 |
---|---|
Number of residues: | 36 |
Including | |
Standard Amino Acids: | 34 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 2 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.088 | 519.750 |
% Hydrophobic | % Polar |
---|---|
39.61 | 60.39 |
According to VolSite |
HET Code: | ATP |
---|---|
Formula: | C10H12N5O13P3 |
Molecular weight: | 503.149 g/mol |
DrugBank ID: | DB00171 |
Buried Surface Area: | 56.43 % |
Polar Surface area: | 319.88 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 17 |
H-Bond Donors: | 3 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 4 |
Cationic atoms: | 0 |
Rule of Five Violation: | 2 |
Rotatable Bonds: | 8 |
X | Y | Z |
---|---|---|
23.3028 | -35.4557 | -2.11248 |
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 |
O2B | CZ | ARG- 165 | 3.65 | 0 | Ionic (Protein Cationic) |
O2A | ND2 | ASN- 259 | 2.88 | 171.39 | H-Bond (Protein Donor) |
O3' | N | ALA- 312 | 2.9 | 154.51 | H-Bond (Protein Donor) |
O2A | N | GLU- 314 | 2.97 | 175.06 | H-Bond (Protein Donor) |
O1B | N | ALA- 315 | 3.09 | 160.71 | H-Bond (Protein Donor) |
C2' | CB | ASP- 345 | 4.22 | 0 | Hydrophobic |
C2' | CD | LYS- 346 | 3.97 | 0 | Hydrophobic |
C1' | CB | LYS- 346 | 4.46 | 0 | Hydrophobic |
O2' | NZ | LYS- 346 | 2.83 | 177.09 | H-Bond (Protein Donor) |
O2' | N | LYS- 346 | 3.11 | 170.78 | H-Bond (Protein Donor) |
C1' | CB | ALA- 393 | 4.23 | 0 | Hydrophobic |
O3G | OG | SER- 420 | 2.87 | 157.15 | H-Bond (Protein Donor) |
O1B | O | HOH- 2135 | 2.64 | 179.96 | H-Bond (Protein Donor) |