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.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)		1hlg LIPASE, GASTRIC
(Homo
sapiens)		3 / 3PHE A 273
LYS A 280
SER A 281
None
0.89A19.06
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.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)		1xk8 DIVALENT CATION
TOLERANT PROTEIN
CUTA
(Homo
sapiens)		3 / 3PHE A 135
LYS A  40
SER A  44
None
1.11A22.41
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.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)		2b1h FAB 2219, HEAVY
CHAIN
(Homo
sapiens)		3 / 3PHE H 148
LYS H  13
SER H  14
None
1.23A20.82
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.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)		2bp1 AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 2
(Homo
sapiens)		3 / 3PHE A  76
LYS A 113
SER A 114
None
1.25A18.55
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.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)		2z6k REPLICATION PROTEIN
A 32 KDA SUBUNIT
(Homo
sapiens)		3 / 3PHE A  64
LYS A 139
SER A 140
None
1.34A20.38
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.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)		4acq ALPHA-2-MACROGLOBULI
N
(Homo
sapiens)		3 / 3PHE A 224
LYS A 135
SER A 136
None
1.22A11.72
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.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)		4o3m BLOOM SYNDROME
PROTEIN
(Homo
sapiens)		3 / 3PHE A1238
LYS A 726
SER A 729
None
0.74A19.04
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.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)		4qci ANTI-PDGF-BB
ANTIBODY - LIGHT
CHAIN
(Homo
sapiens)		3 / 3PHE A 169
LYS A 102
SER A   9
None
0.91A17.88
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.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)		5t5w INTERFERON LAMBDA
RECEPTOR 1
(Homo
sapiens)		3 / 3PHE B  36
LYS B  88
SER B  89
None
0.75A17.79
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.
3TYE_B_YTZB902_1
(DIHYDROPTEROATE
SYNTHASE)		5xtb NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL
(Homo
sapiens)		3 / 3PHE M 238
LYS M 170
SER M 233
None
1.25A19.01
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.
4J7U_A_YTZA802_1
(SEPIAPTERIN
REDUCTASE)		2ad1 SULFOTRANSFERASE 1C2
(Homo
sapiens)		5 / 10LEU A 164
PHE A 160
TRP A 156
TYR A 159
PRO A 133
None
1.14A21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J7U_A_YTZA802_1
(SEPIAPTERIN
REDUCTASE)		4z3k SEPIAPTERIN
REDUCTASE
(Homo
sapiens)		10 / 10SER A 154
LEU A 155
CYH A 156
PHE A 161
TRP A 164
TYR A 167
PRO A 197
MET A 202
GLN A 203
MET A 215
4KL  A 802 (-2.6A)
4KL  A 802 (-4.0A)
4KL  A 802 ( 4.2A)
None
None
4KL  A 802 ( 4.1A)
4KL  A 802 (-4.0A)
NAP  A 801 (-3.5A)
4KL  A 802 ( 3.2A)
None
0.58A94.44
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.
4J7U_B_YTZB802_1
(SEPIAPTERIN
REDUCTASE)		2ad1 SULFOTRANSFERASE 1C2
(Homo
sapiens)		5 / 10LEU A 164
PHE A 160
TRP A 156
TYR A 159
PRO A 133
None
1.15A21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J7U_B_YTZB802_1
(SEPIAPTERIN
REDUCTASE)		4z3k SEPIAPTERIN
REDUCTASE
(Homo
sapiens)		10 / 10SER A 154
LEU A 155
CYH A 156
PHE A 161
TRP A 164
TYR A 167
PRO A 197
MET A 202
GLN A 203
MET A 215
4KL  A 802 (-2.6A)
4KL  A 802 (-4.0A)
4KL  A 802 ( 4.2A)
None
None
4KL  A 802 ( 4.1A)
4KL  A 802 (-4.0A)
NAP  A 801 (-3.5A)
4KL  A 802 ( 3.2A)
None
0.57A94.44
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.
4J7U_C_YTZC802_1
(SEPIAPTERIN
REDUCTASE)		2ad1 SULFOTRANSFERASE 1C2
(Homo
sapiens)		5 / 10LEU A 164
PHE A 160
TRP A 156
TYR A 159
PRO A 133
None
1.12A21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J7U_C_YTZC802_1
(SEPIAPTERIN
REDUCTASE)		4z3k SEPIAPTERIN
REDUCTASE
(Homo
sapiens)		10 / 10SER A 154
LEU A 155
CYH A 156
PHE A 161
TRP A 164
TYR A 167
PRO A 197
MET A 202
GLN A 203
MET A 215
4KL  A 802 (-2.6A)
4KL  A 802 (-4.0A)
4KL  A 802 ( 4.2A)
None
None
4KL  A 802 ( 4.1A)
4KL  A 802 (-4.0A)
NAP  A 801 (-3.5A)
4KL  A 802 ( 3.2A)
None
0.57A94.44
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		1dbh PROTEIN (HUMAN SOS
1)
(Homo
sapiens)		4 / 8SER A 256
LEU A 259
PHE A 208
TYR A 215
None
1.17A21.01
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		1fq9 FIBROBLAST GROWTH
FACTOR 2
(Homo
sapiens)		4 / 8LEU A 118
CYH A  25
PHE A 139
GLN A 134
None
None
None
SGN  A 304 (-4.3A)
1.06A20.07
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		1hkk CHITOTRIOSIDASE-1
(Homo
sapiens)		4 / 8PHE A 271
TRP A 331
PRO A 227
GLN A 320
None
1.15A21.99
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		1qql FIBROBLAST GROWTH
FACTOR 7/1 CHIMERA
(Homo
sapiens;
Rattus
norvegicus)		4 / 8LEU A 111
CYH A  17
PHE A 132
GLN A 127
None
1.14A19.43
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		1wb0 CHITOTRIOSIDASE 1
(Homo
sapiens)		4 / 8PHE A 271
TRP A 333
PRO A 227
GLN A 322
None
1.09A21.52
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		1xdv SON OF SEVENLESS
PROTEIN HOMOLOG 1
(Homo
sapiens)		4 / 8SER A 256
LEU A 259
PHE A 208
TYR A 215
None
1.17A16.12
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		2ad1 SULFOTRANSFERASE 1C2
(Homo
sapiens)		5 / 8LEU A 164
PHE A 160
TRP A 156
TYR A 159
PRO A 133
None
1.16A21.08
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		2afg ACIDIC FIBROBLAST
GROWTH FACTOR
(Homo
sapiens)		4 / 8LEU A 111
CYH A  16
PHE A 132
GLN A 127
None
1.09A20.77
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		2b5i CYTOKINE RECEPTOR
COMMON GAMMA CHAIN
INTERLEUKIN-2
RECEPTOR BETA CHAIN
(Homo
sapiens)		4 / 8LEU C 148
PHE C 199
PRO C 189
GLN B 164
None
1.01A17.63
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		2xqw COMPLEMENT C3
(Homo
sapiens)		4 / 8SER A  94
LEU A  95
PHE A 280
GLN A 205
None
1.21A23.26
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		3iiw POLYCOMB PROTEIN EED
(Homo
sapiens)		4 / 8SER A 241
CYH A 311
PHE A 368
GLN A 100
None
0.82A21.91
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		3ksy SON OF SEVENLESS
HOMOLOG 1
(Homo
sapiens)		4 / 8SER A 256
LEU A 259
PHE A 208
TYR A 215
None
1.22A14.27
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		3n94 FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND PITUITARY
ADENYLATE CYCLASE 1
RECEPTOR-SHORT
(Escherichia
coli;
Homo
sapiens)		4 / 8SER A-275
PHE A  24
PRO A-300
GLN A-299
None
1.20A21.49
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		4ay1 CHITINASE-3-LIKE
PROTEIN 2
(Homo
sapiens)		4 / 8PHE A 273
TRP A 333
PRO A 229
GLN A 322
None
1.00A22.56
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		4b9d SERINE/THREONINE-PRO
TEIN KINASE NEK1
(Homo
sapiens)		4 / 8SER A 233
LEU A 234
PHE A 257
TYR A 229
None
1.00A25.07
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		4nzm INOSITOL
HEXAKISPHOSPHATE AND
DIPHOSPHOINOSITOL-PE
NTAKISPHOSPHATE
KINASE 2
(Homo
sapiens)		4 / 8SER A  99
CYH A  49
PHE A  78
TRP A  91
None
1.22A22.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		4z3k SEPIAPTERIN
REDUCTASE
(Homo
sapiens)		8 / 8SER A 154
LEU A 155
CYH A 156
PHE A 161
TRP A 164
TYR A 167
PRO A 197
GLN A 203
4KL  A 802 (-2.6A)
4KL  A 802 (-4.0A)
4KL  A 802 ( 4.2A)
None
None
4KL  A 802 ( 4.1A)
4KL  A 802 (-4.0A)
4KL  A 802 ( 3.2A)
0.32A94.44
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		5f4e IZUMO SPERM-EGG
FUSION PROTEIN 1
(Homo
sapiens)		4 / 8SER A  89
LEU A  90
PHE A  64
TYR A 125
None
1.04A23.30
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		5ool 39S RIBOSOMAL
PROTEIN L37,
MITOCHONDRIAL
(Homo
sapiens)		4 / 8LEU 5 187
CYH 5 188
PHE 5 411
TYR 5 418
None
1.22A20.59
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.
4J7U_D_YTZD802_1
(SEPIAPTERIN
REDUCTASE)		6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44
(Homo
sapiens)		4 / 8LEU K 548
CYH K 549
PHE K 512
PRO K 541
None
1.13A14.98
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.
5CP3_A_YTZA301_1
(LIGHT CHAIN OF
ANTIGEN-BINDING
FRAGMENT OF
MONOCLONAL ANTIBODY
OF 4C7
HEAVY CHAIN OF
ANTIGEN-BINDING
FRAGMENT OF
MONOCLONAL ANTIBODY
OF 4C7)		4wgk NEUTRAL CERAMIDASE
(Homo
sapiens)		5 / 11ASN A 680
TRP A 721
HIS A 722
ASN A 730
GLY A 727
None
None
NAG  A 803 (-3.8A)
NAG  A 803 (-1.9A)
None
1.37A15.67
16.08
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.
5G44_A_YTZA1512_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		1w3b UDP-N-ACETYLGLUCOSAM
INE--PEPTIDE
N-ACETYLGLUCOSAMINYL
TRANSFERASE 110
(Homo
sapiens)		5 / 9LEU A 221
LEU A 225
ALA A 241
VAL A 251
ALA A 234
None
1.43A22.47
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.
5G44_A_YTZA1512_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		2i5c PLECKSTRIN
(Homo
sapiens)		5 / 9LEU A 275
LEU A 292
VAL A 244
ARG A 269
ALA A 345
None
1.41A19.37
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.
5G44_A_YTZA1512_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		4ht1 TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
12
(Homo
sapiens)		5 / 9LEU T 120
LEU T  65
ALA T  93
VAL T  88
ALA T 122
None
1.47A20.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5G44_A_YTZA1512_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		4s15 NUCLEAR RECEPTOR
ROR-ALPHA
(Homo
sapiens)		7 / 9LEU A 295
ALA A 330
VAL A 364
ARG A 367
MET A 368
ARG A 370
ALA A 371
None
4D8  A 601 (-3.1A)
None
GOL  A 602 (-4.5A)
4D8  A 601 (-4.0A)
GOL  A 602 (-3.3A)
4D8  A 601 ( 4.0A)
0.62A50.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5G44_A_YTZA1512_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5c4t NUCLEAR RECEPTOR
ROR-GAMMA
(Homo
sapiens)		5 / 9GLN A 286
LEU A 287
LEU A 292
ARG A 367
ALA A 368
None
0.95A99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5G44_A_YTZA1512_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5c4t NUCLEAR RECEPTOR
ROR-GAMMA
(Homo
sapiens)		5 / 9GLN A 286
LEU A 292
VAL A 363
ARG A 367
ALA A 368
None
1.28A99.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5G44_A_YTZA1512_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5c4t NUCLEAR RECEPTOR
ROR-GAMMA
(Homo
sapiens)		8 / 9LEU A 287
LEU A 292
ALA A 327
VAL A 361
ARG A 364
MET A 365
ARG A 367
ALA A 368
None
0.53A99.59
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.
5G44_A_YTZA1512_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		5toa ESTROGEN RECEPTOR
BETA
(Homo
sapiens)		5 / 9LEU A 430
LEU A 406
ALA A 436
VAL A 269
ALA A 402
None
1.33A23.28