2.800 Å
X-ray
2002-02-03
Name: | Adenosylhomocysteinase |
---|---|
ID: | SAHH_RAT |
AC: | P10760 |
Organism: | Rattus norvegicus |
Reign: | Eukaryota |
TaxID: | 10116 |
EC Number: | 3.3.1.1 |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 82 % |
B | 18 % |
B-Factor: | 5.710 |
---|---|
Number of residues: | 52 |
Including | |
Standard Amino Acids: | 51 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 1 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.984 | 715.500 |
% Hydrophobic | % Polar |
---|---|
34.91 | 65.09 |
According to VolSite |
HET Code: | NAD |
---|---|
Formula: | C21H26N7O14P2 |
Molecular weight: | 662.417 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 66.62 % |
Polar Surface area: | 343.54 Å2 |
Number of | |
---|---|
H-Bond Acceptors: | 18 |
H-Bond Donors: | 6 |
Rings: | 5 |
Aromatic rings: | 3 |
Anionic atoms: | 2 |
Cationic atoms: | 1 |
Rule of Five Violation: | 3 |
Rotatable Bonds: | 11 |
X | Y | Z |
---|---|---|
14.1462 | -9.64889 | 19.324 |
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 |
C5N | CB | ASN- 190 | 4.35 | 0 | Hydrophobic |
C4N | SG | CYS- 194 | 3.81 | 0 | Hydrophobic |
O1N | N | VAL- 223 | 2.82 | 150.33 | H-Bond (Protein Donor) |
C5N | CG2 | VAL- 223 | 4.19 | 0 | Hydrophobic |
C5D | CG2 | VAL- 223 | 3.94 | 0 | Hydrophobic |
O3B | OE2 | GLU- 242 | 2.58 | 163.5 | H-Bond (Ligand Donor) |
O2B | OE1 | GLU- 242 | 2.76 | 165.32 | H-Bond (Ligand Donor) |
O2B | OE2 | GLU- 242 | 3.33 | 129.58 | H-Bond (Ligand Donor) |
C2B | CG1 | ILE- 243 | 4.04 | 0 | Hydrophobic |
C5D | CG2 | THR- 274 | 4.08 | 0 | Hydrophobic |
N7N | O | ILE- 298 | 2.78 | 129 | H-Bond (Ligand Donor) |
O7N | ND2 | ASN- 345 | 2.73 | 158.47 | H-Bond (Protein Donor) |
N7N | OD1 | ASN- 345 | 3.14 | 157.34 | H-Bond (Ligand Donor) |
O2B | NZ | LYS- 1425 | 3.23 | 147.96 | H-Bond (Protein Donor) |
O2A | OH | TYR- 1429 | 2.75 | 146.77 | H-Bond (Protein Donor) |