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.
1NYR_A_THRA1004_0
(THREONYL-TRNA
SYNTHETASE 1)		4hwt THREONINE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)		8 / 10MET A 444
CYH A 446
ARG A 475
ASP A 495
HIS A 497
TYR A 573
GLN A 595
HIS A 623
1B2  A 802 (-2.6A)
ZN  A 801 ( 2.3A)
1B2  A 802 (-2.5A)
1B2  A 802 (-3.6A)
ZN  A 801 ( 3.3A)
None
1B2  A 802 (-3.3A)
ZN  A 801 ( 3.1A)
0.29A25.42
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.
1NYR_B_THRB2004_0
(THREONYL-TRNA
SYNTHETASE 1)		4hwt THREONINE--TRNA
LIGASE, CYTOPLASMIC
(Homo
sapiens)		8 / 10MET A 444
CYH A 446
ARG A 475
ASP A 495
HIS A 497
TYR A 573
GLN A 595
HIS A 623
1B2  A 802 (-2.6A)
ZN  A 801 ( 2.3A)
1B2  A 802 (-2.5A)
1B2  A 802 (-3.6A)
ZN  A 801 ( 3.3A)
None
1B2  A 802 (-3.3A)
ZN  A 801 ( 3.1A)
0.71A25.42
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		1lpb LIPASE
(Homo
sapiens)		4 / 8ASP B 200
GLY B 170
ALA B 196
ILE B 172
None
0.85A18.34
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1
(Homo
sapiens)		4 / 8GLY A 150
ALA A 152
ASN A  59
ILE A  58
None
0.79A22.74
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2d7i POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 10
(Homo
sapiens)		4 / 8GLY A 343
GLU A 345
THR A 220
ILE A 341
NGA  A 702 (-3.4A)
NGA  A 702 (-2.9A)
UDP  A 705 ( 3.9A)
UDP  A 705 (-4.3A)
0.86A16.13
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2hda PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE YES
(Homo
sapiens)		4 / 8GLY A 140
ALA A 131
THR A 124
ILE A 142
None
0.83A18.40
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2hda PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE YES
(Homo
sapiens)		4 / 8GLY A 140
GLU A 130
ALA A 131
ILE A 142
None
0.80A18.40
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2il1 RAB12
(Homo
sapiens)		4 / 8GLY A 250
GLU A 280
ALA A 281
ILE A 292
None
0.56A21.23
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		2lkm PHD FINGER PROTEIN
12
MORTALITY FACTOR
4-LIKE PROTEIN 1
(Homo
sapiens;
Homo
sapiens)		4 / 8GLU A 219
ALA A 217
THR B 277
ILE A 214
None
0.82A14.73
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		3h0f PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN
(Homo
sapiens)		4 / 8GLY A 131
GLU A 121
ALA A 122
ILE A 133
None
0.70A17.37
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		3qj4 RENALASE
(Homo
sapiens)		4 / 8ASP A 227
GLY A  59
THR A  55
ILE A 111
None
FAD  A 401 (-4.1A)
None
None
0.85A20.17
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		4iys METAL TRANSPORTER
CNNM2
(Homo
sapiens)		4 / 8GLY A 461
GLU A 462
ALA A 463
ILE A 459
None
0.74A23.78
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		4pj1 60 KDA HEAT SHOCK
PROTEIN,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8GLY A 154
ALA A 152
THR A 404
ILE A 158
None
0.73A16.46
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		4uij BTB/POZ
DOMAIN-CONTAINING
ADAPTER FOR
CUL3-MEDIATED RHOA
DEGRADATION PROTEIN
1
(Homo
sapiens)		4 / 8GLY A 119
GLU A 120
ALA A 121
THR A  95
None
0.69A25.57
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		4zg7 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2
(Homo
sapiens)		4 / 8GLY A 759
GLU A 758
ALA A 669
ILE A 762
None
0.84A12.78
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		5la7 HEPARANASE
(Homo
sapiens)		4 / 8GLY A 243
GLU A 244
ASN A 238
ILE A 237
None
None
NAG  A 603 (-1.9A)
None
0.79A15.78
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		6fuy VINCULIN
(Homo
sapiens)		4 / 8GLU A1042
ALA A1041
ASN A 917
ILE A 919
None
0.77Aundetectable
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		1gzh TUMOR SUPPRESSOR
P53-BINDING PROTEIN
1
(Homo
sapiens)		5 / 9ILE B1952
ILE B1957
GLY B1954
GLU B1955
GLN B1949
None
1.09A20.23
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		1x44 MYOSIN-BINDING
PROTEIN C, SLOW-TYPE
(Homo
sapiens)		5 / 9ASP A  95
GLY A  22
GLU A  23
ALA A  71
THR A  18
None
1.29A23.46
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		2hda PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE YES
(Homo
sapiens)		5 / 9ILE A 142
ILE A 121
GLY A 140
ALA A 131
THR A 124
None
1.06A18.40
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		2hda PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE YES
(Homo
sapiens)		5 / 9ILE A 142
ILE A 121
GLY A 140
GLU A 130
ALA A 131
None
1.04A18.40
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		3hup EARLY ACTIVATION
ANTIGEN CD69
(Homo
sapiens)		5 / 9ASN A 157
ILE A 123
ASP A 124
GLY A 144
ALA A 121
None
1.36A17.22
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		4pj1 60 KDA HEAT SHOCK
PROTEIN,
MITOCHONDRIAL
(Homo
sapiens)		5 / 9ILE A 227
ILE A 230
GLY A 256
GLU A 257
ALA A 258
None
1.18A16.46
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		4uij BTB/POZ
DOMAIN-CONTAINING
ADAPTER FOR
CUL3-MEDIATED RHOA
DEGRADATION PROTEIN
1
(Homo
sapiens)		5 / 9ILE A  96
GLY A 119
GLU A 120
ALA A 121
THR A  95
None
1.01A25.57
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		5gwj DNA TOPOISOMERASE
2-BETA
(Homo
sapiens)		5 / 9ILE A 872
ILE A 731
ASP A 726
GLY A 875
ALA A 877
None
1.35A13.43
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		5k10 ISOCITRATE
DEHYDROGENASE [NADP]
CYTOPLASMIC
(Homo
sapiens)		5 / 9ILE A 102
ILE A  64
GLU A 304
ALA A  61
THR A 302
None
1.39A20.15
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.
2DTJ_B_THRB402_0
(ASPARTOKINASE)		5vil MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 5
(Homo
sapiens)		5 / 9ILE A 872
ILE A 780
GLY A 877
ALA A 875
THR A 784
None
1.24Aundetectable
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		1now BETA-HEXOSAMINIDASE
BETA CHAIN
(Homo
sapiens)		4 / 7PHE A 187
GLY A 107
GLY A 103
HIS A 102
None
0.90A23.15
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1
(Homo
sapiens)		4 / 7PHE A 250
GLY A 254
GLY A  28
HIS A  29
SAM  A 501 (-3.4A)
None
None
SAM  A 501 (-3.6A)
1.02A22.67
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		3v5q NT-3 GROWTH FACTOR
RECEPTOR
(Homo
sapiens)		4 / 7PHE A 585
GLY A 610
GLY A 608
HIS A 532
None
1.04A19.61
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		4a5w COMPLEMENT C5
(Homo
sapiens)		4 / 7ASP A1289
PHE A1284
GLY A1243
GLY A1281
None
0.85A16.10
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		4ni2 GUANYLATE CYCLASE
SOLUBLE SUBUNIT
ALPHA-3
GUANYLATE CYCLASE
SOLUBLE SUBUNIT
BETA-1
(Homo
sapiens;
Homo
sapiens)		4 / 7ASP A 486
PHE A 490
GLY B 544
GLY A 529
EDO  A 702 (-3.7A)
EDO  A 702 ( 3.0A)
None
EDO  B 701 ( 3.2A)
0.93A15.05
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		4yhp FAB HEAVY CHAIN
(Homo
sapiens)		4 / 7PHE A 100
GLY A 103
GLY A 105
HIS A 107
None
1.04A17.80
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		5a1i S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2
(Homo
sapiens)		4 / 7PHE A 250
GLY A 254
GLY A  28
HIS A  29
SAM  A 405 (-3.4A)
None
None
SAM  A 405 ( 3.6A)
1.04A24.68
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.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		5xgc RAP1 GTPASE-GDP
DISSOCIATION
STIMULATOR 1
(Homo
sapiens)		5 / 7PHE A 294
PHE A 269
GLY A 266
GLY A 263
HIS A 303
None
1.32A20.92