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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		2crm FIBRONECTIN TYPE-III
DOMAIN CONTAINING
PROTEIN 3A
(Homo
sapiens)		4 / 8ARG A  89
SER A 106
SER A  61
ASN A  62
None
0.95A13.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE
(Homo
sapiens)		8 / 8ARG A 590
SER A 661
VAL A 683
SER A 684
ASN A 686
ASP A 690
LYS A 691
LYS A 692
RIE  A 876 (-2.9A)
RIE  A 876 (-2.9A)
RIE  A 876 ( 4.4A)
RIE  A 876 (-2.5A)
RIE  A 876 ( 4.8A)
RIE  A 876 (-3.6A)
RIE  A 876 (-2.8A)
RIE  A 876 (-3.1A)
0.20A95.81
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA
(Escherichia
virus
T4;
Homo
sapiens)		4 / 8SER A 192
VAL A 164
SER A 165
ASP A 110
ETQ  A1200 (-3.3A)
None
None
ETQ  A1200 (-3.5A)
0.95A22.81
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA
(Escherichia
virus
T4;
Homo
sapiens)		4 / 8SER A 196
VAL A 164
SER A 165
ASP A 110
ETQ  A1200 ( 4.6A)
None
None
ETQ  A1200 (-3.5A)
1.22A22.81
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		4ui9 CELL DIVISION CYCLE
PROTEIN 23 HOMOLOG
(Homo
sapiens)		4 / 8SER C 262
VAL C 266
SER C 267
ASN C 299
None
1.05A22.04
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		4uta BROADLY NEUTRALIZING
HUMAN ANTIBODY EDE1
C8 HEAVY CHAIN
(Homo
sapiens)		4 / 8SER H   7
VAL H   5
SER H  23
ASN H  77
None
1.26A19.38
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2
(Homo
sapiens)		4 / 8SER A 716
VAL A 436
SER A 435
ASN A 507
None
1.22A22.67
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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		1zd1 SULFOTRANSFERASE 4A1
(Homo
sapiens)		5 / 11GLU A 197
ARG A 247
ASN A 134
SER A 141
LEU A 138
None
1.49A21.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE
(Homo
sapiens)		11 / 11GLU A 559
CYH A 561
SER A 565
ARG A 568
LYS A 735
HIS A 752
ASN A 755
SER A 852
LEU A 853
ALA A 856
LEU A 857
None
0.17A95.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE
(Homo
sapiens)		6 / 11SER A 565
ARG A 568
LYS A 735
HIS A 752
SER A 852
ALA A 855
None
1.46A95.81
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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		4d86 POLY [ADP-RIBOSE]
POLYMERASE 14
(Homo
sapiens)		5 / 11CYH A 849
SER A 838
LEU A 837
ALA A 834
LEU A 833
None
None
None
None
ADP  A1201 (-3.9A)
1.49A22.95
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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		4pj3 INTRON-BINDING
PROTEIN AQUARIUS
(Homo
sapiens)		5 / 11CYH A 385
HIS A 411
SER A 336
LEU A 337
ALA A 340
None
1.33A16.31
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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A
(Homo
sapiens)		5 / 11ASN A 540
SER A 407
LEU A 408
ALA A 411
LEU A 412
None
1.49A20.47
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		1jeq KU70
(Homo
sapiens)		5 / 11SER A 222
ARG A 194
LEU A 200
ALA A 190
LEU A 147
None
1.48A21.46
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		1zd1 SULFOTRANSFERASE 4A1
(Homo
sapiens)		5 / 11GLU A 197
ARG A 247
ASN A 134
SER A 141
LEU A 138
None
1.47A21.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE
(Homo
sapiens)		11 / 11GLU A 559
CYH A 561
SER A 565
ARG A 568
LYS A 735
HIS A 752
ASN A 755
SER A 852
LEU A 853
ALA A 856
LEU A 857
None
0.20A95.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE
(Homo
sapiens)		6 / 11SER A 565
ARG A 568
LYS A 735
HIS A 752
SER A 852
ALA A 855
None
1.45A95.81
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		4d86 POLY [ADP-RIBOSE]
POLYMERASE 14
(Homo
sapiens)		5 / 11CYH A 849
SER A 838
LEU A 837
ALA A 834
LEU A 833
None
None
None
None
ADP  A1201 (-3.9A)
1.49A22.95
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		4pj3 INTRON-BINDING
PROTEIN AQUARIUS
(Homo
sapiens)		5 / 11CYH A 385
HIS A 411
SER A 336
LEU A 337
ALA A 340
None
1.33A16.31
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		4uuc ANKYRIN REPEAT AND
SOCS BOX PROTEIN 11
(Homo
sapiens)		5 / 11SER A 100
ASN A 137
LEU A 102
ALA A 122
LEU A 118
None
1.15A20.35
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.
1HWK_B_117B1_1
(HMG-COA REDUCTASE)		5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A
(Homo
sapiens)		5 / 11ASN A 540
SER A 407
LEU A 408
ALA A 411
LEU A 412
None
1.49A20.47
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.
1HWK_B_117B1_2
(HMG-COA REDUCTASE)		1suv TRANSFERRIN RECEPTOR
PROTEIN 1
(Homo
sapiens)		5 / 9ARG A 409
SER A 452
VAL A 169
ASN A 164
ASP A 162
None
1.45A22.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HWK_B_117B1_2
(HMG-COA REDUCTASE)		2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE
(Homo
sapiens)		9 / 9ARG A 590
MET A 657
SER A 661
VAL A 683
SER A 684
ASN A 686
ASP A 690
LYS A 691
LYS A 692
RIE  A 876 (-2.9A)
RIE  A 876 (-4.1A)
RIE  A 876 (-2.9A)
RIE  A 876 ( 4.4A)
RIE  A 876 (-2.5A)
RIE  A 876 ( 4.8A)
RIE  A 876 (-3.6A)
RIE  A 876 (-2.8A)
RIE  A 876 (-3.1A)
0.38A95.81
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		2crm FIBRONECTIN TYPE-III
DOMAIN CONTAINING
PROTEIN 3A
(Homo
sapiens)		4 / 8ARG A  89
SER A 106
SER A  61
ASN A  62
None
0.91A13.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE
(Homo
sapiens)		8 / 8ARG A 590
SER A 661
VAL A 683
SER A 684
ASN A 686
ASP A 690
LYS A 691
LYS A 692
RIE  A 876 (-2.9A)
RIE  A 876 (-2.9A)
RIE  A 876 ( 4.4A)
RIE  A 876 (-2.5A)
RIE  A 876 ( 4.8A)
RIE  A 876 (-3.6A)
RIE  A 876 (-2.8A)
RIE  A 876 (-3.1A)
0.18A95.81
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA
(Escherichia
virus
T4;
Homo
sapiens)		4 / 8SER A 192
VAL A 164
SER A 165
ASP A 110
ETQ  A1200 (-3.3A)
None
None
ETQ  A1200 (-3.5A)
0.98A22.81
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA
(Escherichia
virus
T4;
Homo
sapiens)		4 / 8SER A 196
VAL A 164
SER A 165
ASP A 110
ETQ  A1200 ( 4.6A)
None
None
ETQ  A1200 (-3.5A)
1.24A22.81
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		4ui9 CELL DIVISION CYCLE
PROTEIN 23 HOMOLOG
(Homo
sapiens)		4 / 8SER C 262
VAL C 266
SER C 267
ASN C 299
None
1.03A22.04
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		4zht BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE
(Homo
sapiens)		4 / 8ARG A 325
SER A 139
SER A 302
LYS A  24
None
None
UDP  A 501 (-2.5A)
UDP  A 501 (-3.1A)
1.22A21.05
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.
1HWK_C_117C4_1
(HMG-COA REDUCTASE)		5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2
(Homo
sapiens)		4 / 8SER A 716
VAL A 436
SER A 435
ASN A 507
None
1.23A22.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE
(Homo
sapiens)		11 / 11GLU A 559
CYH A 561
SER A 565
ARG A 568
LYS A 735
HIS A 752
ASN A 755
SER A 852
LEU A 853
ALA A 856
LEU A 857
None
0.18A95.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE
(Homo
sapiens)		6 / 11SER A 565
ARG A 568
LYS A 735
HIS A 752
SER A 852
ALA A 855
None
1.45A95.81
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.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		4d86 POLY [ADP-RIBOSE]
POLYMERASE 14
(Homo
sapiens)		5 / 11CYH A 849
SER A 838
LEU A 837
ALA A 834
LEU A 833
None
None
None
None
ADP  A1201 (-3.9A)
1.48A22.95
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.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		4pj3 INTRON-BINDING
PROTEIN AQUARIUS
(Homo
sapiens)		5 / 11CYH A 385
HIS A 411
SER A 336
LEU A 337
ALA A 340
None
1.32A16.31
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.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		4uuc ANKYRIN REPEAT AND
SOCS BOX PROTEIN 11
(Homo
sapiens)		5 / 11SER A 100
ASN A 137
LEU A 102
ALA A 122
LEU A 118
None
1.13A20.35
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.
1HWK_C_117C4_2
(HMG-COA REDUCTASE)		5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A
(Homo
sapiens)		5 / 11ASN A 540
SER A 407
LEU A 408
ALA A 411
LEU A 412
None
1.49A20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE
(Homo
sapiens)		11 / 11GLU A 559
CYH A 561
SER A 565
ARG A 568
LYS A 735
HIS A 752
ASN A 755
SER A 852
LEU A 853
ALA A 856
LEU A 857
None
0.17A95.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE
(Homo
sapiens)		6 / 11SER A 565
ARG A 568
LYS A 735
HIS A 752
SER A 852
ALA A 855
None
1.46A95.81
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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		2v5e GDNF FAMILY RECEPTOR
ALPHA-1
GLIAL CELL
LINE-DERIVED
NEUROTROPHIC FACTOR
(Homo
sapiens;
Rattus
norvegicus)		5 / 11SER A 172
ARG A 171
SER B 112
LEU B 111
LEU B  63
None
1.49A17.62
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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		4d86 POLY [ADP-RIBOSE]
POLYMERASE 14
(Homo
sapiens)		5 / 11CYH A 849
SER A 838
LEU A 837
ALA A 834
LEU A 833
None
None
None
None
ADP  A1201 (-3.9A)
1.48A22.95
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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		4mfv BETA-CATENIN-LIKE
PROTEIN 1
(Homo
sapiens)		5 / 11SER A 319
ASN A 326
LEU A 270
ALA A 267
LEU A 266
None
1.43A22.71
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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		4pj3 INTRON-BINDING
PROTEIN AQUARIUS
(Homo
sapiens)		5 / 11CYH A 385
HIS A 411
SER A 336
LEU A 337
ALA A 340
None
1.32A16.31
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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		4uuc ANKYRIN REPEAT AND
SOCS BOX PROTEIN 11
(Homo
sapiens)		5 / 11SER A 100
ASN A 137
LEU A 102
ALA A 122
LEU A 118
None
1.14A20.35
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.
1HWK_D_117D3_1
(HMG-COA REDUCTASE)		5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A
(Homo
sapiens)		5 / 11ASN A 540
SER A 407
LEU A 408
ALA A 411
LEU A 412
None
1.47A20.47
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		1suv TRANSFERRIN RECEPTOR
PROTEIN 1
(Homo
sapiens)		5 / 8ARG A 409
SER A 452
VAL A 169
ASN A 164
ASP A 162
None
1.49A22.41
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		2crm FIBRONECTIN TYPE-III
DOMAIN CONTAINING
PROTEIN 3A
(Homo
sapiens)		4 / 8ARG A  89
SER A 106
SER A  61
ASN A  62
None
0.91A13.26
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		2ozo TYROSINE-PROTEIN
KINASE ZAP-70
(Homo
sapiens)		4 / 8SER A 144
VAL A 314
SER A 313
LYS A 151
None
1.18A22.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE
(Homo
sapiens)		8 / 8ARG A 590
SER A 661
VAL A 683
SER A 684
ASN A 686
ASP A 690
LYS A 691
LYS A 692
RIE  A 876 (-2.9A)
RIE  A 876 (-2.9A)
RIE  A 876 ( 4.4A)
RIE  A 876 (-2.5A)
RIE  A 876 ( 4.8A)
RIE  A 876 (-3.6A)
RIE  A 876 (-2.8A)
RIE  A 876 (-3.1A)
0.18A95.81
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA
(Escherichia
virus
T4;
Homo
sapiens)		4 / 8SER A 192
VAL A 164
SER A 165
ASP A 110
ETQ  A1200 (-3.3A)
None
None
ETQ  A1200 (-3.5A)
0.97A22.81
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA
(Escherichia
virus
T4;
Homo
sapiens)		4 / 8SER A 196
VAL A 164
SER A 165
ASP A 110
ETQ  A1200 ( 4.6A)
None
None
ETQ  A1200 (-3.5A)
1.22A22.81
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		4ui9 CELL DIVISION CYCLE
PROTEIN 23 HOMOLOG
(Homo
sapiens)		4 / 8SER C 262
VAL C 266
SER C 267
ASN C 299
None
1.03A22.04
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		4zht BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE
(Homo
sapiens)		4 / 8ARG A 325
SER A 139
SER A 302
LYS A  24
None
None
UDP  A 501 (-2.5A)
UDP  A 501 (-3.1A)
1.21A21.05
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2
(Homo
sapiens)		4 / 8SER A 716
VAL A 436
SER A 435
ASN A 507
None
1.23A22.67