Ligand ID: XPG


Drugbank ID:
DB00770
(Alprostadil)


Indication:
For palliative, not definitive, therapy to temporarily maintain the patency of the ductus arteriosus until corrective or palliative surgery can be performed in neonates who have congenital heart defects and who depend upon the patent ductus for survival. Also for the treatment of erectile dysfunction due to neurogenic, vasculogenic, psychogenic, or mixed etiology.

Get human targets for XPG in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'XPG' AND SARS-RELATED PROTEINS ONLY

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		5 / 12
HIS H 200
VAL H 198
PRO H 149
TYR H 176
LEU H 178
1.69A56.96
27.95
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
HIS H 201
VAL H 199
PRO H 151
GLU H 150
LEU H 179
1.75A72.73
25.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		5x59 S PROTEIN
(MERS-CoV)		5 / 12
VAL C 360
TYR A 809
PRO C 658
TYR A 932
LEU A 935
1.50A11.48
10.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6m17 SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
VAL C 304
HIS C 524
PRO C 526
TRP C 530
HIS C 296
1.39A16.64
14.88
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
HIS H 200
VAL H 198
PRO H 149
TYR H 176
LEU H 178
1.75A52.50
24.14
None
None
None
None
GOL  L 301 (-4.9A)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
HIS B 204
VAL B 202
PRO B 153
TYR B 180
LEU B 182
1.73A55.36
28.93
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
HIS H 204
VAL H 202
PRO H 153
TYR H 180
LEU H 182
1.78A55.36
28.93
None
None
MLI  H 305 (-4.1A)
None
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
HIS H 204
VAL H 202
PRO H 153
GLU H 152
LEU H 182
1.73A55.36
28.93
None
None
MLI  H 305 (-4.1A)
None
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
HIS B 204
VAL B 202
PRO B 153
GLU B 152
LEU B 182
1.77A55.36
28.93
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 156
HIS H 204
PRO H 153
GLU H 152
LEU H 182
1.77A55.36
28.93
None
None
MLI  H 305 (-4.1A)
None
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL B 156
HIS B 204
PRO B 153
GLU B 152
LEU B 182
1.79A55.36
28.93
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
HIS H 204
VAL H 202
PRO H 153
GLU H 152
LEU H 182
1.77A55.61
27.87
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 156
HIS H 204
PRO H 153
GLU H 152
LEU H 182
1.77A55.61
27.87
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
VAL H 156
HIS H 204
PRO H 153
GLU H 152
LEU H 182
1.77A55.36
28.93
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
HIS H 204
VAL H 202
PRO H 153
GLU H 152
LEU H 182
1.74A55.36
28.93
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
HIS B 204
VAL B 202
PRO B 153
GLU B 152
LEU B 182
1.74A55.36
28.93
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
HIS H 204
VAL H 202
PRO H 153
TYR H 180
LEU H 182
1.78A55.36
28.93
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
HIS B 204
VAL B 202
PRO B 153
TYR B 180
LEU B 182
1.78A55.36
28.93
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3WHX_B_XPGB301_1
(MAB FAB H FRAGMENT
MAB FAB L FRAGMENT)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
VAL B 156
HIS B 204
PRO B 153
GLU B 152
LEU B 182
1.77A55.36
28.93
None