PDB ID: 2fxp


Macromolecule:
SPIKE GLYCOPROTEIN

Source Organism:
SARSr-CoV

Gene names:
S

UniProt ID:
P59594

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2fxp'

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 through AutoDock Vina.

DrReposER ID / Desc. Drug 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.
5V02_R_657R201_0
(CALMODULIN-1
SMALL CONDUCTANCE
CALCIUM-ACTIVATED
POTASSIUM CHANNEL
PROTEIN 2)		Riluzole5 / 10
ALA B  34
LEU C  37
VAL C  33
LEU C  41
VAL A  33
1.47A19.19
16.78
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		Simeprevir5 / 12
GLY A  15
VAL C   8
GLY C  11
SER C  14
ASP B  12
1.45A16.15
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.
4K8K_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
ASN B  17
ILE C  16
GLY C  15
SER A  14
ILE A  13
1.60A9.80
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.
1NP1_A_HSMA303_1
(NITROPHORIN 1)		Histamine4 / 5
ASP C  43
GLU C  51
LEU A  47
LEU B  44
1.38A14.67
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.
4NJV_A_RITA500_1
(PROTEASE)		Ritonavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.30A19.19
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.
4NJV_A_RITA500_2
(PROTEASE)		Ritonavir5 / 11
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.26A19.19
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.
6DJ1_B_AB1B201_0
(HIV-1 PROTEASE)		Lopinavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.21A16.49
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.
4JKU_A_ADNA500_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B  17
ILE C  16
GLY C  15
SER A  14
ILE A  13
1.59A9.80
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.
3LXN_A_MI1A1_1
(NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2)		Tofacitinib5 / 12
LEU B  10
GLY B  11
GLY B  15
ILE A  13
VAL C   8
1.34A10.69
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.
5NUM_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine5 / 8
ILE C  27
LEU C  30
ILE B  27
ILE C  23
ASN C  22
1.22A19.75
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.
1C6Z_B_ROCB505_1
(PROTEIN (PROTEASE))		Saquinavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.28A17.53
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.
4NJV_D_RITD500_1
(PROTEASE)		Ritonavir5 / 11
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.31A19.19
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.
1IKE_A_HSMA190_1
(NITROPHORIN 4)		Histamine3 / 3
ASP C  43
LEU A  47
LEU B  44
1.18A15.22
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.
2IDW_B_017B401_2
(PROTEASE)		Darunavir5 / 9
LEU B  10
ASP A   9
GLY A  15
ILE A  16
ILE B  13
1.58A16.49
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.
4NJV_D_RITD500_2
(PROTEASE)		Ritonavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.23A19.19
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.
5KC0_A_RBFA303_2
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin3 / 3
LYS B  25
LEU A  30
ILE A  23
1.11A18.57
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.
4OJB_A_198A1001_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 7
LEU B  10
ILE A  16
ILE B  16
VAL B  20
1.20A13.33
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.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)		Darunavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.26A16.49
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.
3F33_A_PFLA2001_1
(FERRITIN LIGHT CHAIN)		Propofol4 / 6
LEU C  37
SER C  40
LEU C  44
LEU A  37
1.38A17.61
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.
3PWM_B_017B402_2
(PROTEASE)		Darunavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.21A16.49
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.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
VAL A  33
ALA A  34
GLU A  39
LEU A  41
LEU A  47
1.50A11.92
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.
1NP1_B_HSMB304_1
(NITROPHORIN 1)		Histamine3 / 3
ASP C  43
LEU A  47
LEU B  44
1.10A14.67
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.
4RVJ_B_478B101_2
(HIV-1 PROTEASE)		Amprenavir5 / 9
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.30A19.19
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.
5KC4_A_RBFA201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin3 / 3
LYS A  25
LEU C  30
ILE C  23
1.15A19.29
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.
4ACB_B_DXCB1473_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid5 / 8
ASP C  12
ILE C  13
GLY C  11
VAL B   8
SER B   5
1.53A9.32
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.
3TJ7_A_ACTA604_0
(GBAA_1210 PROTEIN)		Acetic acid4 / 6
GLY A   1
HIS A   3
SER A   2
THR A   4
1.68A15.29
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.
3NUJ_B_478B401_2
(PROTEASE)		Amprenavir5 / 9
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.30A17.53
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.
1N49_D_RITD401_2
(PROTEASE)		Ritonavir4 / 6
ASP A   9
GLY A  15
ILE A  16
ILE B  13
1.38A22.37
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.
4ZBQ_A_DIFA602_1
(SERUM ALBUMIN)		Diclofenac4 / 8
LEU A  30
ASN C  38
ALA C  34
GLU C  32
1.15A7.27
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.
2F81_A_017A302_2
(POL POLYPROTEIN)		Darunavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.31A16.49
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.
1FK6_A_LNLA1201_1
(NON-SPECIFIC LIPID
TRANSFER PROTEIN)		Alpha-Linolenic Acid6 / 12
VAL C  33
ASN C  31
ARG A  29
LEU B  30
ILE C  27
ILE B  27
1.66A19.05
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.
5HHJ_A_GLYA403_0
(RETRON-TYPE REVERSE
TRANSCRIPTASE)		Glycine4 / 4
LEU C  44
LEU A  47
GLY C  48
GLU C  46
1.54A10.82
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.
2IEN_B_017B402_2
(PROTEASE)		Darunavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.29A16.49
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.
4WG0_B_CHDB102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		Cholic Acid5 / 11
LEU A  37
LEU A  41
GLU C  39
LEU C  41
LEU B  41
1.41A13.73
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.
1ETB_1_T441128_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
LEU B  30
GLU B  32
ALA B  34
LEU A  30
1.63A19.05
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.
3O14_A_NIOA300_1
(ANTI-ECFSIGMA
FACTOR, CHRR)		Niacin4 / 7
ALA A  18
SER A  19
VAL C  20
VAL A  20
1.18A15.17
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.
2XN5_A_FUNA1356_2
(THYROXINE-BINDING
GLOBULIN)		Furosemide3 / 3
LEU C  30
ARG C  29
ILE C  27
1.01A26.09
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.
3FPJ_A_SAMA301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
ILE B  16
VAL A  20
ILE C  23
ILE A  27
ALA B  18
1.48A12.14
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.
4XUM_A_IMNA502_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin4 / 7
GLU A  26
ILE C  23
ARG B  29
ILE B  27
1.49A12.73
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.
3BVB_B_017B401_2
(PROTEASE
(RETROPEPSIN))		Darunavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.28A19.74
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.
2XN7_A_T44A1355_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
LEU C  44
LEU B  41
LEU C  37
ASN C  38
LEU A  41
1.35A10.76
26.09
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.
4KAN_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B  17
ILE C  16
GLY C  15
SER A  14
ILE A  13
1.62A9.80
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.
3HCP_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid3 / 3
GLY C  48
ILE A  42
LEU B  47
0.63A10.00
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.
5KB5_A_ADNA401_2
(ADENOSINE KINASE)		Adenosine4 / 4
ASN C  38
LEU A  37
SER C  40
LEU A  44
1.63A9.67
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.
4KAL_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B  17
ILE C  16
GLY C  15
SER A  14
ILE A  13
1.60A9.80
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.
1Z2B_C_VLBC800_2
(TUBULIN ALPHA CHAIN)		Vinblastine4 / 5
VAL C  20
ASN C  22
VAL B  20
ILE A  23
1.42A10.71
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.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B  17
ILE C  16
GLY C  15
SER A  14
ILE A  13
1.60A9.80
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.
6H7U_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		Aminolevulinic acid4 / 6
VAL B  21
ASN C  22
ILE C  23
GLU C  26
1.28A10.44
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.
5TWJ_B_SAMB201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 10
ILE B  42
GLY B  48
LEU A  41
SER A  40
LEU C  41
1.43A18.83
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.
2CEO_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 11
ALA B  34
LEU B  44
LEU C  37
ASN C  38
LEU A  41
1.44A11.60
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.
1MZ9_D_VDYD1001_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
LEU C  30
VAL C  33
LEU C  37
0.83A18.18
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.
3S56_B_ROCB203_1
(PROTEASE)		Saquinavir4 / 7
GLU B  26
LEU A  30
GLU C  26
ILE C  27
1.23A18.56
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.
2Q64_B_1UNB1001_1
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.29A21.98
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.
1HXB_A_ROCA100_1
(HIV-1 PROTEASE)		Saquinavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.04A16.49
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.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		Pramocaine3 / 3
LYS C  25
ILE C  23
ILE B  23
1.68A19.14
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.
4K8C_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
ASN B  17
ILE C  16
GLY C  15
SER A  14
ILE A  13
1.59A9.80
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.
1JG3_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		Adenosine5 / 11
GLY B  11
ILE C  13
LEU B  10
ASP A  12
GLY A  11
1.59A14.35
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.
3EKT_D_017D200_1
(PROTEASE)		Darunavir5 / 11
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.25A17.53
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.
4N09_C_ADNC401_2
(ADENOSINE KINASE)		Adenosine4 / 5
ASN C  31
LEU A  30
LEU C  37
ASN B  38
1.66A10.50
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.
1HPV_B_478B200_1
(HIV-1 PROTEASE)		Amprenavir5 / 9
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.19A16.49
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.
1RL8_A_RITA9001_1
(PROTEASE RETROPEPSIN)		Ritonavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.24A16.49
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.
3EBZ_B_017B201_2
(PROTEASE)		Darunavir5 / 11
LEU C  10
GLY A  11
GLY B  15
ILE B  16
ILE C  13
1.29A25.00
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.
2Z54_A_AB1A200_1
(HIV-1 PROTEASE)		Lopinavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.24A17.53
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.
4MJ8_A_SPMA201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 8
GLU B  51
GLU A  51
TYR A  50
TYR C  50
1.62A17.65
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.
3PWM_B_017B402_1
(PROTEASE)		Darunavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.30A16.49
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.
3JVY_B_017B401_1
(GAG-POL POLYPROTEIN)		Darunavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.31A19.05
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.
5OM7_A_DM2A501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		Epirubicin5 / 11
LEU C  41
SER C  40
GLU C  39
VAL A  33
ASN C  31
1.49A10.12
20.75
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.
1MUI_B_AB1B100_1
(PROTEASE)		Lopinavir5 / 10
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.33A16.49
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.
2FCN_B_DVAB35_0
(UBIQUITIN)		L-Valine4 / 6
LEU B  47
GLN A  45
GLU A  46
ILE A  42
1.67A27.14
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.
3LZU_A_017A200_1
(HIV-1 PROTEASE)		Darunavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.25A18.82
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.
3K4V_B_ROCB201_3
(HIV-1 PROTEASE)		Saquinavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.23A16.33
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.
1UWJ_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
VAL A  33
ALA A  34
GLU A  39
LEU A  41
LEU A  47
1.49A11.92
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.
5WY0_A_SAMA800_0
(SMALL RNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
ILE B  42
ASN B  38
ILE A  42
LEU A  44
LEU B  47
1.17A12.56
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.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)		Lopinavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.25A17.65
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.
2RIW_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
LEU A  44
LEU C  41
LEU A  37
ASN A  38
LEU B  41
1.32A14.23
23.64
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.
1U18_A_HSMA401_1
(NITROPHORIN 1)		Histamine4 / 4
ASP C  43
LEU B  47
LEU A  44
LEU C  47
1.80A14.59
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.
3KP6_B_SALB3007_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid5 / 9
ASN B  31
ALA B  34
LEU B  37
ALA C  34
ASN A  31
1.70A24.07
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.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		Nintedanib5 / 12
GLU C  51
GLY C  48
LEU B  41
GLY A  48
GLU A  46
1.32A10.80
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.
1ETA_1_T441128_1
(TRANSTHYRETIN)		Levothyroxine4 / 5
LEU B  30
GLU B  32
ALA B  34
LEU A  30
1.60A19.05
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.
1C6Z_B_ROCB505_2
(PROTEIN (PROTEASE))		Saquinavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.27A17.53
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.
4PO0_A_NPSA603_1
(SERUM ALBUMIN)		Naproxen5 / 10
ASN C  31
LEU A  30
ASN B  31
LEU B  30
VAL A  33
1.46A7.63
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.
3DEU_A_SALA305_1
(TRANSCRIPTIONAL
REGULATOR SLYA)		Salicylic acid4 / 7
VAL B  20
ILE B  16
ILE A  16
SER A  19
1.16A18.01
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		Penicillamine4 / 6
LYS A  25
GLN A  24
GLU B  26
LEU B  30
1.69A24.49
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.
6DH3_A_017A101_0
(PROTEASE)		Darunavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.19A16.49
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.
3NDT_D_ROCD100_2
(PROTEASE)		Saquinavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.25A16.33
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.
3EKV_A_478A200_1
(PROTEASE)		Amprenavir5 / 10
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.25A16.49
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.
1BX4_A_ADNA350_2
(PROTEIN (ADENOSINE
KINASE))		Adenosine3 / 3
LEU C  44
SER B  40
ASN B  38
1.03A10.20
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.
3UJ7_B_SAMB302_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
SER A   5
ASP C   7
ASP C  12
ILE C  13
1.50A14.12
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.
1N49_B_RITB301_2
(PROTEASE)		Ritonavir5 / 11
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.22A22.37
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.
4KBE_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B  17
ILE C  16
GLY C  15
SER A  14
ILE A  13
1.60A9.80
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.
2QAK_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.33A21.98
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.
3O01_B_DXCB1_0
(CELL INVASION
PROTEIN SIPD)		Deoxycholic Acid5 / 9
ASN A  31
ALA A  34
LEU B  41
ASN B  38
VAL B  33
1.51A14.11
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.
3NDW_A_RITA100_1
(PROTEASE)		Ritonavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.21A16.49
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.
6DGX_A_017A101_0
(PROTEASE)		Darunavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.18A16.49
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.
4KAH_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B  17
ILE C  16
GLY C  15
SER A  14
ILE A  13
1.60A9.80
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.
1TW4_B_CHDB1130_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 12
LEU B  44
LEU A  47
ILE C  42
ILE A  42
LEU A  41
1.43A19.63
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.
3Q1E_C_T44C128_1
(5-HYDROXYISOURATE
HYDROLASE)		Levothyroxine4 / 6
LEU C  44
LEU B  44
LEU B  37
LEU C  37
1.47A20.34
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.
4A81_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		Deoxycholic Acid5 / 12
ILE C  13
GLY C  11
ILE A  16
VAL A  20
ASN B  17
1.49A19.23
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.
4LBG_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B  17
ILE C  16
GLY C  15
SER A  14
ILE A  13
1.60A9.80
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.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		Benzyl alcohol5 / 11
ALA B  34
ALA C  34
VAL A  33
LEU C  37
LEU A  41
1.67A7.28
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.
3A2Q_A_ACAA601_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		Aminocaproic Acid4 / 7
GLY A  15
ASN A  17
VAL C  20
ILE B  16
1.15A6.30
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.
2H42_B_VIAB902_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Sildenafil5 / 12
ASN C  38
ILE C  27
VAL A  33
ALA A  34
LEU C  37
1.29A10.19
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.
4FWD_A_BO2A801_1
(TTC1975 PEPTIDASE)		Bortezomib5 / 9
VAL C  20
VAL C  21
ILE C  16
GLY A  15
SER A  19
1.70A6.13
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.
3D20_A_017A201_1
(HIV-1 PROTEASE)		Darunavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.34A17.53
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.
1QHY_A_CLMA999_0
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)		Chloramphenicol5 / 12
ILE B  23
ILE A  23
ILE C  27
ASP B  28
LEU B  30
1.50A17.20
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.
4OU1_A_BEZA302_0
(RETRO-ALDOLASE,
DESIGN RA114)		Benzoic Acid4 / 8
ILE B  16
ILE A  16
ASN A  17
ALA A  18
1.45A14.71
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.
4JKS_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ASN B  17
ILE C  16
GLY C  15
SER A  14
ILE A  13
1.60A9.80
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.
3EL1_A_DR7A100_2
(PROTEASE)		Atazanavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.30A16.49
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.
4X30_A_T44A401_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 9
ALA C  34
LEU C  44
LEU A  37
ASN A  38
LEU C  41
1.45A11.92
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.
2FXD_A_DR7A102_1
(POL PROTEIN)		Atazanavir5 / 11
ILE C  23
GLY B  15
GLY A  11
ILE A  13
VAL A  20
1.12A15.96
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.
6DIL_B_TPVB201_1
(HIV-1 PROTEASE)		Tipranavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.28A16.49
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.
2Q63_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.33A21.98
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.
3OXC_A_ROCA401_1
(PROTEASE)		Saquinavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.25A16.49
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.
2YCJ_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		Levomefolic acid5 / 12
ILE B  13
LEU B  10
GLY B  15
SER B  19
ASN B  17
1.67A13.28
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.
4LL3_A_017A201_2
(PROTEASE)		Darunavir5 / 10
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.26A16.49
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.
3TKG_C_ROCC901_2
(PROTEASE)		Saquinavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.27A17.33
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.
3JW2_A_017A401_1
(GAG-POL POLYPROTEIN)		Darunavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.27A18.18
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.
3TL9_A_ROCA401_3
(PROTEASE)		Saquinavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.25A17.33
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.
2XN6_A_T44A1370_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
LEU C  44
LEU B  41
LEU C  37
ASN C  38
LEU A  41
1.41A10.76
26.09
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.
3D20_A_017A201_2
(HIV-1 PROTEASE)		Darunavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.19A17.53
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.
5JWA_H_ACTH614_0
(NADH DEHYDROGENASE,
PUTATIVE)		Acetic acid4 / 6
ILE B  16
VAL C  20
VAL B  20
SER A  19
1.53A8.67
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.
3O02_B_JN3B1_1
(CELL INVASION
PROTEIN SIPD)		Ursodeoxycholic acid5 / 10
ALA B  34
LEU C  41
ASN C  38
LEU C  37
VAL C  33
1.34A13.28
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.
4Q5M_A_ROCA1101_2
(PROTEASE)		Saquinavir6 / 12
ILE B  13
GLY A  11
GLY C  11
ILE C  13
VAL C  20
ILE A  16
1.69A18.64
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.
3NU3_B_478B401_2
(PROTEASE)		Amprenavir5 / 11
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.34A16.49
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.
2O4K_A_DR7A301_2
(PROTEASE)		Atazanavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.31A16.49
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.
3NU6_B_478B401_2
(PROTEASE)		Amprenavir5 / 10
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.28A16.49
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.
3LZS_A_017A200_1
(HIV-1 PROTEASE)		Darunavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.20A18.82
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.
5T2Z_B_017B201_1
(PROTEASE)		Darunavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.30A18.56
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.
3NUO_B_478B478_2
(PROTEASE)		Amprenavir5 / 9
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.31A16.49
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.
2AVV_A_MK1A901_3
(POL POLYPROTEIN)		Indinavir5 / 12
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.30A16.49
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.
3EKP_B_478B200_1
(PROTEASE)		Amprenavir5 / 8
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.34A17.53
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.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		Tioconazole6 / 10
ALA A  34
LEU C  37
VAL A  33
VAL C  33
ILE C  27
LEU B  30
1.73A11.53
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.
6DIF_B_TPVB201_1
(HIV-1 PROTEASE)		Tipranavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.29A16.49
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.
2F81_A_017A302_1
(POL POLYPROTEIN)		Darunavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.31A16.49
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.
3NDU_D_ROCD100_1
(PROTEASE)		Saquinavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.15A16.33
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.
3EKP_C_478C200_2
(PROTEASE)		Amprenavir5 / 10
GLY C  15
VAL A  20
GLY B  15
ILE B  13
ILE A  16
1.23A17.53
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.
2PRG_A_BRLA1_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone3 / 3
ILE B  27
ILE A  23
LEU B  37
0.90A12.69
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.
2BXG_B_IBPB2002_1
(SERUM ALBUMIN)		Ibuprofen5 / 10
ALA B  34
LEU A  41
LEU A  37
LEU A  30
VAL A  33
1.50A6.81
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.
4I41_A_MIXA500_2
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		Mitoxantrone4 / 4
LEU B  47
LEU A  41
GLN C  52
GLU C  46
1.03A16.43
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.
2IEN_B_017B402_1
(PROTEASE)		Darunavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.28A16.49
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.
3TKW_B_017B401_1
(PROTEASE)		Darunavir5 / 12
GLY A  15
VAL B  20
GLY C  15
ILE C  13
ILE B  16
1.20A17.33
None