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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		1ck7 PROTEIN (GELATINASE
A)
(Homo
sapiens)		5 / 12THR A 580
PHE A 535
ALA A 479
ALA A 570
VAL A 568
None
None
NA  A 996 (-3.0A)
CL  A 995 ( 4.9A)
None
1.14A20.27
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		1t2f L-LACTATE
DEHYDROGENASE B
CHAIN
(Homo
sapiens)		5 / 12VAL A 135
VAL A  31
VAL A 146
ILE A 142
THR A 147
None
NAD  A 401 (-3.7A)
None
None
None
1.13A20.50
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		2dh7 NUCLEOLYSIN TIAR
(Homo
sapiens)		5 / 12THR A 170
PHE A 120
ALA A 126
ALA A 151
ILE A 108
None
1.04A15.52
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		2g5t DIPEPTIDYL PEPTIDASE
4
(Homo
sapiens)		5 / 12VAL A 546
ALA A 548
ALA A 555
ILE A 607
THR A 636
None
1.12A20.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		3c6g CYTOCHROME P450 2R1
(Homo
sapiens)		6 / 12ALA A 222
THR A 314
VAL A 375
ILE A 379
MET A 487
THR A 488
None
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.5A)
HEM  A 601 ( 4.1A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 4.6A)
1.32A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		3c6g CYTOCHROME P450 2R1
(Homo
sapiens)		7 / 12THR A 119
ASN A 126
PHE A 214
ALA A 250
VAL A 253
THR A 488
ILE A 379
None
VD3  A 701 (-4.2A)
VD3  A 701 (-4.6A)
VD3  A 701 (-3.3A)
VD3  A 701 ( 4.2A)
VD3  A 701 ( 4.6A)
HEM  A 601 ( 4.1A)
1.48A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		3c6g CYTOCHROME P450 2R1
(Homo
sapiens)		12 / 12THR A 119
ASN A 126
PHE A 214
VAL A 218
ALA A 221
ALA A 250
VAL A 253
THR A 314
VAL A 375
ILE A 379
MET A 487
THR A 488
None
VD3  A 701 (-4.2A)
VD3  A 701 (-4.6A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 3.8A)
VD3  A 701 (-3.3A)
VD3  A 701 ( 4.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.5A)
HEM  A 601 ( 4.1A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 4.6A)
0.17A100.00
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		3lre KINESIN-LIKE PROTEIN
KIF18A
(Homo
sapiens)		5 / 12ALA A 349
VAL A  36
THR A  93
VAL A 109
MET A 328
None
1.06A21.47
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		3mtl CELL DIVISION
PROTEIN KINASE 16
(Homo
sapiens)		5 / 12PHE A 240
ALA A 177
ALA A 303
VAL A 224
ILE A 209
FEF  A 668 ( 4.3A)
None
FEF  A 668 ( 4.0A)
FEF  A 668 (-4.7A)
None
1.13A21.82
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		3s5n 4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE,
MITOCHONDRIAL
(Homo
sapiens)		5 / 12ASN A 191
VAL A 135
ALA A 133
THR A 115
THR A 118
None
1.01A20.34
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		3siv NHP2-LIKE PROTEIN 1
(Homo
sapiens)		5 / 12ALA A  39
ALA A  57
VAL A  83
THR A 105
THR A  45
 U  F  36 ( 3.1A)
None
None
None
None
1.07A14.05
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		4a11 DNA EXCISION REPAIR
PROTEIN ERCC-8
(Homo
sapiens)		5 / 12THR B 123
ALA B 135
VAL B 159
ILE B  90
THR B 129
None
1.12A22.31
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2
(Homo
sapiens)		5 / 12ASN A 432
VAL A 199
VAL A 405
MET A 202
THR A 203
None
1.14A22.99
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		1p0r UBIQUITIN-LIKE 5
(Homo
sapiens)		3 / 3LEU A  68
GLU A   3
ILE A   2
None
0.56A12.24
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		2ewy BETA-SECRETASE 2
(Homo
sapiens)		3 / 3LEU A 149
GLU A  98
ILE A 115
None
0.59A22.66
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		2qkb RIBONUCLEASE H1
(Homo
sapiens)		3 / 3LEU A 176
GLU A 186
ILE A 187
None
A  C  11 ( 3.9A)
None
0.59A16.18
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		2v40 ADENYLOSUCCINATE
SYNTHETASE ISOZYME 2
(Homo
sapiens)		3 / 3LEU A 405
GLU A 435
ILE A 432
None
0.60A22.87
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		2wvi MITOTIC CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1
BETA
(Homo
sapiens)		3 / 3LEU A 189
GLU A 177
ILE A 174
None
0.56A14.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		3c6g CYTOCHROME P450 2R1
(Homo
sapiens)		3 / 3LEU A 257
GLU A 306
ILE A 309
None
VD3  A 701 ( 4.8A)
None
0.12A100.00
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE
(Homo
sapiens)		3 / 3LEU B 631
GLU B 602
ILE B 596
None
0.53A13.93
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		4u2x IMPORTIN SUBUNIT
ALPHA-6
(Homo
sapiens)		3 / 3LEU D 336
GLU D 358
ILE D 355
None
0.52A17.15
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		4yu9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE
(Homo
sapiens)		3 / 3LEU A 284
GLU A 277
ILE A 274
None
0.53A20.79
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		5m9n TUDOR
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		3 / 3LEU A 666
GLU A 621
ILE A 623
None
0.59A18.18
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		1ck7 PROTEIN (GELATINASE
A)
(Homo
sapiens)		5 / 12THR A 580
PHE A 535
ALA A 479
ALA A 570
VAL A 568
None
None
NA  A 996 (-3.0A)
CL  A 995 ( 4.9A)
None
1.12A20.27
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		1n76 LACTOFERRIN
(Homo
sapiens)		5 / 12THR A 647
LEU A 633
ALA A 651
VAL A 428
VAL A 369
None
0.99A22.33
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		1p22 F-BOX/WD-REPEAT
PROTEIN 1A
SKP1
(Homo
sapiens)		5 / 12LEU A 148
ALA B 103
ALA A 172
VAL A 175
ILE B  83
None
1.00A21.44
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		1rtg HUMAN GELATINASE A
(Homo
sapiens)		5 / 12THR A 580
PHE A 535
ALA A 479
ALA A 570
VAL A 568
None
None
CA  A   2 ( 3.9A)
CL  A   1 ( 4.1A)
None
1.13A16.99
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		1t5c CENTROMERIC PROTEIN
E
(Homo
sapiens)		5 / 12LEU A 272
ALA A 300
ALA A   8
VAL A   9
THR A 289
None
1.16A22.33
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		1wz9 MASPIN PRECURSOR
(Homo
sapiens)		5 / 12THR A 108
LEU A  92
ALA A  46
VAL A  66
ILE A 159
None
1.03A23.93
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6
(Homo
sapiens)		5 / 12LEU A 298
ASN A 434
ALA A 395
VAL A 394
ILE A 297
None
1.12A21.89
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		2dh7 NUCLEOLYSIN TIAR
(Homo
sapiens)		5 / 12THR A 170
PHE A 120
ALA A 126
ALA A 151
ILE A 108
None
1.01A15.52
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		2vpj KELCH-LIKE PROTEIN
12
(Homo
sapiens)		5 / 12LEU A 283
ALA A 323
VAL A 333
ILE A 537
THR A 555
None
1.06A21.41
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		3aqi FERROCHELATASE
(Homo
sapiens)		5 / 12LEU A 371
ASN A 374
ALA A 382
THR A 283
VAL A 287
None
0.80A22.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		3c6g CYTOCHROME P450 2R1
(Homo
sapiens)		6 / 12ALA A 222
THR A 314
VAL A 375
ILE A 379
MET A 487
THR A 488
None
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.5A)
HEM  A 601 ( 4.1A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 4.6A)
1.36A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		3c6g CYTOCHROME P450 2R1
(Homo
sapiens)		12 / 12THR A 119
LEU A 125
ASN A 126
PHE A 214
ALA A 221
ALA A 250
VAL A 253
THR A 314
VAL A 375
ILE A 379
MET A 487
THR A 488
None
HEM  A 601 (-4.3A)
VD3  A 701 (-4.2A)
VD3  A 701 (-4.6A)
VD3  A 701 ( 3.8A)
VD3  A 701 (-3.3A)
VD3  A 701 ( 4.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.5A)
HEM  A 601 ( 4.1A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 4.6A)
0.25A100.00
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG
(Homo
sapiens)		5 / 12ASN A 829
PHE A 761
ALA A 682
VAL A 814
ILE A 838
None
1.00A16.17
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		3lre KINESIN-LIKE PROTEIN
KIF18A
(Homo
sapiens)		5 / 12ALA A 349
VAL A  36
THR A  93
VAL A 109
MET A 328
None
1.04A21.47
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		3r92 HEAT SHOCK PROTEIN
HSP 90-ALPHA
(Homo
sapiens)		5 / 12LEU A  80
PHE A  44
ALA A 145
VAL A 144
ILE A  78
None
0.99A20.51
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		3siv NHP2-LIKE PROTEIN 1
(Homo
sapiens)		5 / 12ALA A  39
ALA A  57
VAL A  83
THR A 105
THR A  45
 U  F  36 ( 3.1A)
None
None
None
None
1.06A14.05
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		4a11 DNA EXCISION REPAIR
PROTEIN ERCC-8
(Homo
sapiens)		5 / 12THR B 123
ALA B 135
VAL B 159
ILE B  90
THR B 129
None
1.10A22.31
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		4cak INTEGRIN BETA-3
(Homo
sapiens)		5 / 12LEU B 138
ALA B 347
THR B 146
VAL B 112
ILE B 114
None
1.13A21.55
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		4fww MACROPHAGE-STIMULATI
NG PROTEIN RECEPTOR
(Homo
sapiens)		5 / 12THR A 255
LEU A 374
ALA A 324
ALA A 327
VAL A 329
None
1.13A19.89
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		4nen INTEGRIN ALPHA-X
(Homo
sapiens)		5 / 12PHE A 221
ALA A 212
ALA A 257
ILE A 137
THR A 180
None
1.10A16.91
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		4o7d GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL
(Homo
sapiens)		5 / 12LEU A 284
ALA A 366
VAL A 491
VAL A 358
ILE A 420
None
1.03A22.09
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		5d3o GLUTAMINASE KIDNEY
ISOFORM,
MITOCHONDRIAL
(Homo
sapiens)		5 / 12LEU A 289
ALA A 371
VAL A 496
VAL A 363
ILE A 425
None
1.02A22.68
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		5hdh TOLL-LIKE RECEPTOR 8
(Homo
sapiens)		5 / 12LEU A 299
PHE A 307
ALA A 282
ALA A 305
ILE A 276
None
1.15A21.31
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		5of4 GENERAL
TRANSCRIPTION FACTOR
IIH SUBUNIT 2
(Homo
sapiens)		5 / 12LEU E 145
ALA E 203
VAL E 221
THR E 215
ILE E 182
None
0.97A21.16
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		5zqz TRIFUNCTIONAL ENZYME
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens)		5 / 12THR A 167
ALA A 153
ALA A 212
VAL A  89
ILE A  91
None
1.03A10.40