Ligand ID: MV2


Drugbank ID:
DB09357
(Dexpanthenol)


Indication:
Injection: Prophylactic use immediately after major abdominal surgery to minimize the possibility of paralytic ileus. Intestinal atony causing abdominal distention; postoperative or postpartum retention of flatus, or postoperative delay in resumption of intestinal motility; paralytic ileus.

Get human targets for MV2 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'MV2' 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
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		1x7q BETA-2-MICROGLOBULIN
HLA, A-11
(Homo
sapiens)		4 / 7
VAL A  12
HIS B  31
LEU A  78
ILE A  23
1.27A22.06
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		1z1j 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
VAL B1148
HIS B1164
LEU B1030
ILE B1106
1.47A21.71
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		2ahm REPLICASE
POLYPROTEIN 1AB,
HEAVY CHAIN
(SARSr-CoV)		4 / 7
VAL H 135
LEU H 122
TYR H 154
ILE H 111
1.36A21.75
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		2ajf SPIKE PROTEIN
(SARSr-CoV)		4 / 7
ASP F 480
LEU F 478
ILE F 405
ASN F 409
1.41A17.92
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		4 / 7
ASP B 187
HIS B  41
TYR B 161
ILE B 136
1.47A21.41
None
ENB  B1145 (-3.4A)
None
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		2dd8 SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASP S 480
LEU S 478
ILE S 405
ASN S 409
1.43A18.65
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASP C 480
LEU C 478
ILE C 405
ASN C 409
1.43A19.54
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		2gri NSP3
(SARSr)		4 / 7
VAL A  62
LEU A  66
TYR A  43
ILE A  24
1.26A17.48
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		2gri NSP3
(SARSr)		4 / 7
VAL A  62
ASP A  33
LEU A  66
TYR A  43
1.42A17.48
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
VAL D 294
ASP D 239
HIS D 234
ILE D 252
1.27A18.75
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		2rhb URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARSr-CoV)		4 / 7
VAL A 291
HIS B  18
ILE A 269
ASN A 277
1.29A18.98
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		4 / 7
ASP A 480
LEU A 478
ILE A 405
ASN A 409
1.43A18.67
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASP E 480
LEU E 478
ILE E 405
ASN E 409
1.40A17.98
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		3d0h ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
VAL B 283
TYR B 279
ILE B 291
ASN B 437
1.41A21.25
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASP E 480
LEU E 478
ILE E 405
ASN E 409
1.39A17.98
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		3e9s NSP3
(SARSr-CoV)		4 / 7
VAL A 189
TYR A 234
ILE A 315
ASN A 187
1.28A21.53
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		3i6g BETA-2-MICROGLOBULIN
HLA, A-2
(Homo
sapiens)		4 / 7
VAL D  12
HIS E  31
LEU D  78
ILE D  23
1.28A21.92
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		3i6l BETA-2-MICROGLOBULIN
HLA, A-24
(Homo
sapiens)		5 / 7
VAL D  12
ASP D 119
HIS E  31
LEU D  78
ILE D  23
1.53A21.61
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		3r24 2'-O-METHYL
TRANSFERASE
NSP10 AND NSP11
(SARSr-CoV)		4 / 7
VAL A  78
ASP A 102
HIS B  80
ILE B  38
1.45A21.05
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASP E 480
LEU E 478
ILE E 405
ASN E 409
1.36A18.79
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		3scj ACE2
(Homo
sapiens)		4 / 7
VAL B 283
TYR B 279
ILE B 291
ASN B 437
1.41A19.60
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		3sck ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		4 / 7
VAL A 581
HIS A 228
LEU A 585
TYR A 516
1.41A21.25
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASP F 480
LEU F 478
ILE F 405
ASN F 409
1.33A18.47
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		5c8s GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
VAL D 381
LEU D 329
TYR D 511
ILE D 510
1.33A20.15
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		5c8t GUANINE-N7
METHYLTRANSFERASE
(SARSr-CoV)		4 / 7
VAL D 381
LEU D 329
TYR D 511
ILE D 510
1.29A20.33
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		5f22 NSP8
(SARSr-CoV)		4 / 7
VAL B 135
LEU B 122
TYR B 154
ILE B 111
1.42A17.53
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
VAL C 381
LEU C 329
TYR C 511
ILE C 510
1.36A20.40
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		5nfy POLYPROTEIN 1AB
(SARS-COV
Frankfurt
1)		4 / 7
VAL O   7
HIS D  26
ILE O  38
ASN O  10
1.44A16.18
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		5wrg SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
ASP B 480
LEU B 478
ILE B 405
ASN B 409
1.33A15.47
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		5x5f S PROTEIN
(MERS-CoV)		4 / 7
LEU B 506
TYR C 438
ILE C 433
ASN C 436
1.07A13.27
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		6acj SPIKE GLYCOPROTEIN
(SARSr-CoV)		4 / 7
VAL C 945
ASP A 557
LEU C 948
ASN C 838
1.36A15.47
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		6crw SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		4 / 7
ASP C 480
LEU C 478
ILE C 405
ASN C 409
1.22A12.77
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		6iex BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN
(Homo
sapiens)		4 / 7
ASP A 119
HIS B  31
LEU A  78
ILE A  23
1.15A22.19
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.
3AVP_A_MV2A313_1
(PANTOTHENATE KINASE)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		4 / 7
VAL A 275
ASP A 270
HIS A  65
ILE A  76
1.42A19.79
None