2.000 Å
X-ray
2001-06-06
Name: | Translocase of chloroplast 34 |
---|---|
ID: | TOC34_PEA |
AC: | Q41009 |
Organism: | Pisum sativum |
Reign: | Eukaryota |
TaxID: | 3888 |
EC Number: | 3.6.5 |
Chain Name: | Percentage of Residues within binding site |
---|---|
B | 78 % |
C | 22 % |
B-Factor: | 20.353 |
---|---|
Number of residues: | 42 |
Including | |
Standard Amino Acids: | 39 |
Non Standard Amino Acids: | 1 |
Water Molecules: | 2 |
Cofactors: | |
Metals: | MG |
Ligandability | Volume (Å3) |
---|---|
0.735 | 718.875 |
% Hydrophobic | % Polar |
---|---|
41.31 | 58.69 |
According to VolSite |
HET Code: | GDP |
---|---|
Formula: | C10H12N5O11P2 |
Molecular weight: | 440.177 g/mol |
DrugBank ID: | DB04315 |
Buried Surface Area: | 80.18 % |
Polar Surface area: | 276.39 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 14 |
H-Bond Donors: | 4 |
Rings: | 3 |
Aromatic rings: | 1 |
Anionic atoms: | 3 |
Cationic atoms: | 0 |
Rule of Five Violation: | 1 |
Rotatable Bonds: | 6 |
X | Y | Z |
---|---|---|
33.2773 | 56.2969 | 17.4087 |
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 | N | GLY- 49 | 2.72 | 135.58 | H-Bond (Protein Donor) |
O1B | N | VAL- 50 | 3.03 | 139.81 | H-Bond (Protein Donor) |
O1B | N | GLY- 51 | 3.29 | 141.2 | H-Bond (Protein Donor) |
O3A | N | GLY- 51 | 3.01 | 139.53 | H-Bond (Protein Donor) |
O1B | NZ | LYS- 52 | 2.75 | 159.76 | H-Bond (Protein Donor) |
O1B | N | LYS- 52 | 3.19 | 153.36 | H-Bond (Protein Donor) |
O1B | NZ | LYS- 52 | 2.75 | 0 | Ionic (Protein Cationic) |
O3B | NZ | LYS- 52 | 3.97 | 0 | Ionic (Protein Cationic) |
O3B | N | SER- 53 | 3.12 | 167.68 | H-Bond (Protein Donor) |
O2A | N | SER- 54 | 2.74 | 158.67 | H-Bond (Protein Donor) |
O2A | OG | SER- 54 | 2.76 | 155.69 | H-Bond (Protein Donor) |
O5' | OG | SER- 54 | 3.49 | 120.82 | H-Bond (Protein Donor) |
C3' | CB | ILE- 67 | 4.35 | 0 | Hydrophobic |
O1A | N | SER- 68 | 2.82 | 152.33 | H-Bond (Protein Donor) |
O1A | OG | SER- 68 | 3.4 | 160.67 | H-Bond (Protein Donor) |
C3' | CB | PRO- 69 | 4.38 | 0 | Hydrophobic |
C5' | CD1 | TYR- 132 | 4.49 | 0 | Hydrophobic |
C4' | CE1 | TYR- 132 | 3.93 | 0 | Hydrophobic |
C1' | CZ | TYR- 132 | 4.12 | 0 | Hydrophobic |
O2B | NH2 | ARG- 133 | 3.45 | 128.32 | H-Bond (Protein Donor) |
O6 | N | HIS- 163 | 3 | 137.93 | H-Bond (Protein Donor) |
C1' | CG | PRO- 169 | 4.01 | 0 | Hydrophobic |
C2' | CB | PRO- 169 | 4 | 0 | Hydrophobic |
N1 | OE1 | GLU- 210 | 2.98 | 122.33 | H-Bond (Ligand Donor) |
O6 | N | ASN- 211 | 3.28 | 143.74 | H-Bond (Protein Donor) |
O3B | MG | MG- 282 | 2.22 | 0 | Metal Acceptor |