2.300 Å
X-ray
2008-05-18
Name: | Adenosylhomocysteinase |
---|---|
ID: | SAHH_BURP1 |
AC: | Q3JY79 |
Organism: | Burkholderia pseudomallei |
Reign: | Bacteria |
TaxID: | 320372 |
EC Number: | / |
Chain Name: | Percentage of Residues within binding site |
---|---|
A | 18 % |
B | 82 % |
B-Factor: | 22.156 |
---|---|
Number of residues: | 54 |
Including | |
Standard Amino Acids: | 49 |
Non Standard Amino Acids: | 0 |
Water Molecules: | 5 |
Cofactors: | |
Metals: |
Ligandability | Volume (Å3) |
---|---|
0.170 | 2608.875 |
% Hydrophobic | % Polar |
---|---|
39.20 | 60.80 |
According to VolSite |
HET Code: | NAD |
---|---|
Formula: | C21H26N7O14P2 |
Molecular weight: | 662.417 g/mol |
DrugBank ID: | - |
Buried Surface Area: | 66.63 % |
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 |
---|---|---|
70.0099 | 2.9393 | -4.2203 |
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 |
C4N | SG | CYS- 238 | 3.82 | 0 | Hydrophobic |
O2N | N | VAL- 267 | 2.96 | 162.22 | H-Bond (Protein Donor) |
C5D | CG2 | VAL- 267 | 4.12 | 0 | Hydrophobic |
C5N | CG2 | VAL- 267 | 3.94 | 0 | Hydrophobic |
O3B | OE2 | GLU- 286 | 2.74 | 157.99 | H-Bond (Ligand Donor) |
O2B | OE1 | GLU- 286 | 2.72 | 154.62 | H-Bond (Ligand Donor) |
O2B | OE2 | GLU- 286 | 3.45 | 143.24 | H-Bond (Ligand Donor) |
C2B | CG1 | ILE- 287 | 4.31 | 0 | Hydrophobic |
C1B | CB | THR- 319 | 4.43 | 0 | Hydrophobic |
N7A | ND2 | ASN- 321 | 2.94 | 155.37 | H-Bond (Protein Donor) |
N7N | O | ILE- 342 | 2.53 | 153.8 | H-Bond (Ligand Donor) |
O7N | ND2 | ASN- 387 | 2.82 | 160.4 | H-Bond (Protein Donor) |
N7N | OD1 | ASN- 387 | 3.18 | 163.6 | H-Bond (Ligand Donor) |
O3B | NZ | LYS- 467 | 2.73 | 136.45 | H-Bond (Protein Donor) |
O2A | OH | TYR- 471 | 2.58 | 158.75 | H-Bond (Protein Donor) |
O2N | O | HOH- 882 | 2.67 | 179.97 | H-Bond (Protein Donor) |