2.600 Å
X-ray
2002-08-30
Name: | Ribulose-1,5 bisphosphate carboxylase/oxygenase large subunit N-methyltransferase, chloroplastic |
---|---|
ID: | RBCMT_PEA |
AC: | Q43088 |
Organism: | Pisum sativum |
Reign: | Eukaryota |
TaxID: | 3888 |
EC Number: | 2.1.1.127 |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 100 % |
B-Factor: | 49.910 |
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Number of residues: | 28 |
Including | |
Standard Amino Acids: | 28 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 0 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.820 | 843.750 |
% Hydrophobic | % Polar |
---|---|
38.40 | 61.60 |
According to VolSite |
HET Code: | SAH |
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Formula: | C14H20N6O5S |
Molecular weight: | 384.411 g/mol |
DrugBank ID: | DB01752 |
Buried Surface Area: | 63.96 % |
Polar Surface area: | 212.38 Å2 |
Number of | |
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H-Bond Acceptors: | 10 |
H-Bond Donors: | 4 |
Rings: | 3 |
Aromatic rings: | 2 |
Anionic atoms: | 1 |
Cationic atoms: | 1 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 7 |
X | Y | Z |
---|---|---|
97.702 | 46.6437 | 92.5026 |
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 |
N | O | GLU- 80 | 2.81 | 140.44 | H-Bond (Ligand Donor) |
N | O | LEU- 82 | 2.81 | 177.69 | H-Bond (Ligand Donor) |
OXT | N | LEU- 82 | 2.8 | 160.08 | H-Bond (Protein Donor) |
SD | CG | ARG- 222 | 3.89 | 0 | Hydrophobic |
O | CZ | ARG- 222 | 3.76 | 0 | Ionic (Protein Cationic) |
N | OD1 | ASN- 242 | 2.7 | 146.01 | H-Bond (Ligand Donor) |
N7 | N | HIS- 243 | 2.88 | 170.64 | H-Bond (Protein Donor) |
N6 | O | HIS- 243 | 2.9 | 150.99 | H-Bond (Ligand Donor) |
C5' | CE1 | TYR- 287 | 4.11 | 0 | Hydrophobic |
C3' | CB | TYR- 300 | 3.99 | 0 | Hydrophobic |
C3' | CE2 | PHE- 302 | 4.36 | 0 | Hydrophobic |
C2' | CD2 | PHE- 302 | 4.12 | 0 | Hydrophobic |
DuAr | DuAr | PHE- 302 | 3.94 | 0 | Aromatic Face/Face |