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.
3Q07_A_WPPA300_2
(BETA-LACTAMASE)		1buy PROTEIN
(ERYTHROPOIETIN)
(Homo
sapiens)		4 / 5TYR A 145
PRO A  42
THR A  40
THR A  26
None
1.36A22.14
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.
3Q07_A_WPPA300_2
(BETA-LACTAMASE)		1x4g NUCLEOLYSIN TIAR
(Homo
sapiens)		4 / 5CYH A  93
TYR A  63
THR A  84
THR A  27
None
1.41A17.56
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.
3Q07_A_WPPA300_2
(BETA-LACTAMASE)		3a1j CELL CYCLE
CHECKPOINT PROTEIN
RAD1
(Homo
sapiens)		4 / 5CYH C 215
TYR C 203
PRO C 186
THR C 218
None
1.31A20.85
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.
3Q07_A_WPPA300_2
(BETA-LACTAMASE)		3ph9 ANTERIOR GRADIENT
PROTEIN 3 HOMOLOG
(Homo
sapiens)		4 / 5TYR A  54
PRO A 124
THR A 127
THR A  47
None
1.31A20.07
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.
3Q07_A_WPPA300_2
(BETA-LACTAMASE)		5ggs PROGRAMMED CELL
DEATH PROTEIN 1
(Homo
sapiens)		4 / 5CYH Y 123
PRO Y  34
THR Y  36
THR Y  76
None
1.44A19.68
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.
3Q07_A_WPPA300_2
(BETA-LACTAMASE)		5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2
(Homo
sapiens)		4 / 5CYH A 209
TYR A 258
THR A 247
THR A 238
 ZN  A 505 (-2.4A)
6TM  A 502 ( 4.2A)
None
None
1.26A20.09
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.
3Q07_B_WPPB400_2
(BETA-LACTAMASE)		1buy PROTEIN
(ERYTHROPOIETIN)
(Homo
sapiens)		4 / 5TYR A 145
PRO A  42
THR A  40
THR A  26
None
1.38A22.14
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.
3Q07_B_WPPB400_2
(BETA-LACTAMASE)		1r4x COATOMER GAMMA
SUBUNIT
(Homo
sapiens)		4 / 5CYH A 726
PRO A 683
THR A 723
THR A 678
None
1.50A24.44
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.
3Q07_B_WPPB400_2
(BETA-LACTAMASE)		1x4g NUCLEOLYSIN TIAR
(Homo
sapiens)		4 / 5CYH A  93
TYR A  63
THR A  84
THR A  27
None
1.39A17.56
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.
3Q07_B_WPPB400_2
(BETA-LACTAMASE)		2ghf ZINC FINGERS AND
HOMEOBOXES PROTEIN 1
(Homo
sapiens)		4 / 5CYH A  72
PRO A  94
THR A  86
THR A  76
 ZN  A 205 (-1.7A)
None
None
None
1.25A12.93
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.
3Q07_B_WPPB400_2
(BETA-LACTAMASE)		3a1j CELL CYCLE
CHECKPOINT PROTEIN
RAD1
(Homo
sapiens)		4 / 5CYH C 215
TYR C 203
PRO C 186
THR C 218
None
1.31A20.85
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.
3Q07_B_WPPB400_2
(BETA-LACTAMASE)		3fn1 NEDD8-CONJUGATING
ENZYME UBE2F
(Homo
sapiens)		4 / 5CYH B 100
TYR B 179
THR B  68
THR B 110
None
1.47A20.69
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.
3Q07_B_WPPB400_2
(BETA-LACTAMASE)		3ph9 ANTERIOR GRADIENT
PROTEIN 3 HOMOLOG
(Homo
sapiens)		4 / 5TYR A  54
PRO A 124
THR A 127
THR A  47
None
1.27A20.07
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.
3Q07_B_WPPB400_2
(BETA-LACTAMASE)		5dc0 FIBRONECTIN
(Homo
sapiens)		4 / 5TYR A  83
PRO A  25
THR A   6
THR A  35
None
1.42A16.73
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.
3Q07_B_WPPB400_2
(BETA-LACTAMASE)		5exr DNA POLYMERASE ALPHA
SUBUNIT B
(Homo
sapiens)		4 / 5CYH D 346
PRO D 424
THR D 472
THR D 563
None
1.50A18.64
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.
3Q07_B_WPPB400_2
(BETA-LACTAMASE)		5ggs PROGRAMMED CELL
DEATH PROTEIN 1
(Homo
sapiens)		4 / 5CYH Y 123
PRO Y  34
THR Y  36
THR Y  76
None
1.46A19.68
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.
3Q07_B_WPPB400_2
(BETA-LACTAMASE)		5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2
(Homo
sapiens)		4 / 5CYH A 209
TYR A 258
THR A 247
THR A 238
 ZN  A 505 (-2.4A)
6TM  A 502 ( 4.2A)
None
None
1.25A20.09