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.
5W7B_A_PA1A206_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		2ock VALACYCLOVIR
HYDROLASE
(Homo
sapiens)		4 / 4TYR A 184
GLY A  51
ASN A 123
ARG A  90
None
1.33A13.93
17.07
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.
5W7B_A_PA1A206_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		4wzw PUMILIO
DOMAIN-CONTAINING
PROTEIN KIAA0020
(Homo
sapiens)		4 / 4TYR A 444
GLY A 465
ASN A 468
ARG A 478
None
1.33A10.44
8.58
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		1icf PROTEIN (CATHEPSIN
L: HEAVY CHAIN)
PROTEIN (INVARIANT
CHAIN)
(Homo
sapiens)		3 / 3GLY A  20
ASN A  18
ARG I 250
None
0.70A20.95
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		2e3i RESTIN
(Homo
sapiens)		3 / 3GLY A 116
ASN A  99
ARG A 107
None
0.74A20.62
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		2qkb RIBONUCLEASE H1
(Homo
sapiens)		3 / 3GLY A 167
ASN A 171
ARG A 275
None
0.71A17.65
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		3feh CENTAURIN-ALPHA-1
(Homo
sapiens)		3 / 3GLY A  77
ASN A  18
ARG A  82
None
0.78A12.39
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		3idv PROTEIN
DISULFIDE-ISOMERASE
A4
(Homo
sapiens)		3 / 3GLY A 261
ASN A 192
ARG A 246
None
0.76A17.03
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		3l6r SERINE RACEMASE
(Homo
sapiens)		3 / 3GLY A 186
ASN A 154
ARG A 135
LLP  A  56 ( 3.7A)
LLP  A  56 ( 4.7A)
MLI  A 347 (-3.0A)
0.79A12.20
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		3ojy COMPLEMENT COMPONENT
C8 BETA CHAIN
(Homo
sapiens)		3 / 3GLY B  88
ASN B  87
ARG B 157
None
CA  B 538 (-2.8A)
None
0.69A8.24
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		4k3j HEPATOCYTE GROWTH
FACTOR BETA CHAIN
(Homo
sapiens)		3 / 3GLY B 198
ASN B 199
ARG B 217
None
0.72A9.76
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		5c7o GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
TESTIS-SPECIFIC
(Homo
sapiens)		3 / 3GLY O 214
ASN O 212
ARG O 406
None
0.78A10.90
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		5nqa POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 4
(Homo
sapiens)		3 / 3GLY A 335
ASN A 378
ARG A 209
EDO  A 628 (-3.5A)
None
None
0.80A21.18
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.
5W7B_B_PA1B204_1
(ACYLOXYACYL
HYDROLASE SMALL
SUBUNIT
ACYLOXYACYL
HYDROLASE LARGE
SUBUNIT)		5z4i UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 20
(Homo
sapiens)		3 / 3GLY A  54
ASN A  39
ARG A  80
None
0.69A19.10
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		1mq8 INTERCELLULAR
ADHESION MOLECULE-1
(Homo
sapiens)		3 / 3ARG A 132
ARG A 166
ARG A 160
None
1.02A14.88
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		1p49 STERYL-SULFATASE
(Homo
sapiens)		3 / 3ARG A 536
ARG A 424
ARG A  90
None
1.05A9.93
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		2ast CYCLIN-DEPENDENT
KINASES REGULATORY
SUBUNIT 1
(Homo
sapiens)		3 / 3ARG C3071
ARG C3044
ARG C3020
None
0.96A15.00
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		2lqn CRK-LIKE PROTEIN
(Homo
sapiens)		3 / 3ARG A 164
ARG A  21
ARG A  57
None
0.90A14.19
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE
(Homo
sapiens)		3 / 3ARG A 313
ARG A 544
ARG A 122
None
1.09A8.15
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		5mw7 PROTEIN JAGGED-2
(Homo
sapiens)		3 / 3ARG A 195
ARG A 116
ARG A 114
None
1.10A12.97
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		5vew GLUCAGON-LIKE
PEPTIDE 1
RECEPTOR,ENDOLYSIN
CHIMERA
(Escherichia
virus
T4;
Homo
sapiens)		3 / 3ARG A 348
ARG A1095
ARG A 176
None
1.08A11.87
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.
6BPL_B_PA1B605_1
(LIPID A EXPORT
ATP-BINDING/PERMEASE
PROTEIN MSBA)		6gpl GDP-MANNOSE 4,6
DEHYDRATASE
(Homo
sapiens)		3 / 3ARG B 325
ARG B 214
ARG B 247
F7E  B 402 (-3.2A)
F7E  B 402 (-2.8A)
F7E  B 402 (-3.2A)
1.07Aundetectable