POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second 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. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Seq.
Identity (%)
View 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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)
1itu RENAL DIPEPTIDASE
(Homo
sapiens)
5 / 10GLY A 286
VAL A 249
LEU A 271
LEU A 308
TYR A 305
None
1.21A24.65
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)
1lhu SEX HORMONE-BINDING
GLOBULIN
(Homo
sapiens)
5 / 10GLY A 145
VAL A  54
TRP A  66
LEU A 157
LEU A 153
None
1.31A20.25
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)
2ee7 SPERM FLAGELLAR
PROTEIN 1
(Homo
sapiens)
5 / 10GLY A 105
VAL A 107
LEU A  36
SER A  37
TYR A  21
None
1.25A15.92
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)
2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens)
5 / 10GLY A 145
VAL A 147
LEU A 224
LEU A 277
ALA A 150
None
1.09A23.57
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)
3k2m PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1
(Homo
sapiens)
5 / 10VAL A 151
LEU A 169
LEU A 160
SER A 183
ALA A 155
None
1.37A15.01
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)
4eih ABELSON
TYROSINE-PROTEIN
KINASE 2
(Homo
sapiens)
5 / 10VAL A 178
LEU A 196
LEU A 187
SER A 210
ALA A 182
None
1.24A15.62
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)
4idt MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 14
(Homo
sapiens)
5 / 10GLY A 633
LEU A 496
LEU A 500
SER A 582
ALA A 629
None
1.42A23.06
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)
4l8t UNCONVENTIONAL
MYOSIN-VC
(Homo
sapiens)
5 / 10VAL A1691
TRP A1639
LEU A1670
LEU A1640
ALA A1651
None
1.06A20.64
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)
4wmy INTELECTIN-1
(Homo
sapiens)
5 / 10TRP A 117
LEU A 147
LEU A 183
TYR A 187
ALA A 252
None
1.40A20.51
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)
4wmy INTELECTIN-1
(Homo
sapiens)
5 / 10VAL A 236
TRP A 117
LEU A 147
LEU A 183
TYR A 187
None
1.25A20.51
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)
5anb ELONGATION FACTOR TU
GTP-BINDING
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)
5 / 10GLY K1035
VAL K 665
LEU K1052
TYR K 985
LEU K1028
None
1.35A16.85
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)
5ons MALIGNANT
T-CELL-AMPLIFIED
SEQUENCE 1
DENSITY-REGULATED
PROTEIN
(Homo
sapiens;
Homo
sapiens)
5 / 10VAL A  97
LEU A 143
LEU A 106
TYR B  46
ALA A 101
None
1.35Aundetectable
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.
1PBC_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)
5zya SPLICING FACTOR 3B
SUBUNIT 1
(Homo
sapiens)
5 / 10VAL C 936
LEU C 974
LEU C 978
TYR C 981
ALA C 951
None
1.26Aundetectable
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.
1PBF_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)
2ro1 TRANSCRIPTION
INTERMEDIARY FACTOR
1-BETA
(Homo
sapiens)
5 / 9VAL A 765
LEU A 708
LEU A 747
ARG A 746
ALA A 762
None
1.13A23.02
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.
1PBF_A_BHAA396_0
(P-HYDROXYBENZOATE
HYDROXYLASE)
4l8t UNCONVENTIONAL
MYOSIN-VC
(Homo
sapiens)
5 / 9VAL A1691
TRP A1639
LEU A1670
LEU A1640
ALA A1651
None
1.08A20.64
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
1w9c CRM1 PROTEIN
(Homo
sapiens)
4 / 6LEU A 780
VAL A 784
LEU A 785
VAL A 800
None
0.96A19.14
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
2iip NICOTINAMIDE
N-METHYLTRANSFERASE
(Homo
sapiens)
5 / 6LEU A 131
ARG A 132
VAL A 135
LEU A  98
VAL A  83
None
1.29A27.64
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
2nzi TITIN
(Homo
sapiens)
4 / 6LEU A 214
VAL A 255
LEU A 258
VAL A 245
None
0.85A21.81
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
2v9k UNCHARACTERIZED
PROTEIN FLJ32312
(Homo
sapiens)
4 / 6ARG A 176
VAL A 163
LEU A 174
VAL A  11
None
0.89A14.47
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
2wul GLUTAREDOXIN RELATED
PROTEIN 5
(Homo
sapiens)
4 / 6LEU A 125
VAL A 112
LEU A 114
VAL A  56
None
0.98A26.11
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
3d3w L-XYLULOSE REDUCTASE
(Homo
sapiens)
4 / 6LEU B  11
VAL B  37
LEU B  61
VAL B  57
None
None
NAP  B1245 (-3.8A)
None
0.94A24.08
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
3hd6 AMMONIUM TRANSPORTER
RH TYPE C
(Homo
sapiens)
4 / 6LEU A 151
VAL A 146
LEU A 416
VAL A 142
None
0.95A14.96
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
3mcf DIPHOSPHOINOSITOL
POLYPHOSPHATE
PHOSPHOHYDROLASE
3-ALPHA
(Homo
sapiens)
4 / 6LEU A  35
VAL A  33
LEU A  23
VAL A 122
None
0.87A24.56
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
3mjg PLATELET-DERIVED
GROWTH FACTOR
SUBUNIT B
(Homo
sapiens)
4 / 6LEU A  91
VAL A  89
LEU A  29
VAL A  72
None
0.79A22.95
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
3toj SET1/ASH2 HISTONE
METHYLTRANSFERASE
COMPLEX SUBUNIT ASH2
(Homo
sapiens)
4 / 6LEU A 298
ARG A 294
VAL A 307
LEU A 289
None
0.95A24.00
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
4a5w COMPLEMENT C5
(Homo
sapiens)
4 / 6LEU A 602
VAL A 600
LEU A 571
VAL A 780
None
0.89A8.83
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)
4go6 HCF C-TERMINAL CHAIN
1
(Homo
sapiens)
4 / 6LEU B1908
VAL B1961
LEU B1966
VAL B1951
None
0.85A26.41