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.
3DL9_A_V2HA602_0
(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
1.16A20.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		3c6g CYTOCHROME P450 2R1
(Homo
sapiens)		12 / 12MET A 118
THR A 119
PHE A 214
VAL A 218
ALA A 221
VAL A 253
TYR A 254
GLU A 306
VAL A 375
ILE A 379
MET A 487
THR A 488
VD3  A 701 ( 3.9A)
None
VD3  A 701 (-4.6A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 3.8A)
VD3  A 701 ( 4.2A)
None
VD3  A 701 ( 4.8A)
HEM  A 601 ( 4.5A)
HEM  A 601 ( 4.1A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 4.6A)
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.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE
(Homo
sapiens)		5 / 12VAL A 422
GLU A 377
VAL A 475
ILE A 201
THR A 473
None
AT2  A 906 ( 2.7A)
None
None
None
1.19A23.69
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.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		3muj TRANSCRIPTION FACTOR
COE3
(Homo
sapiens)		5 / 12THR A 337
VAL A 272
ALA A 270
VAL A 315
GLU A 263
None
1.20A15.45
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.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		3w1g DNA LIGASE 4
(Homo
sapiens)		5 / 12VAL A 206
GLU A  41
VAL A 198
ILE A  26
THR A 202
None
None
SO4  A 706 (-3.5A)
None
SO4  A 706 (-3.1A)
1.24A19.65
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.
3DL9_A_V2HA602_0
(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
1.14A22.68
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.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		4p7h MYOSIN-7,GREEN
FLUORESCENT PROTEIN
(Aequorea
victoria;
Homo
sapiens)		5 / 12THR A 215
ALA A 223
GLU A 217
VAL A 459
ILE A 250
None
1.15A19.54
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.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		4xwx SHC-TRANSFORMING
PROTEIN 1
(Homo
sapiens)		5 / 12THR A  78
ALA A 168
VAL A  85
VAL A 126
ILE A 194
None
1.24A16.21
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.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM
(Homo
sapiens)		5 / 12ALA A 364
GLU A 348
VAL A 333
ILE A 308
THR A 371
None
1.17A19.79
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.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		5yjh PERIOSTIN
(Homo
sapiens)		5 / 12VAL A 108
ALA A 110
TYR A  56
VAL A 101
THR A 104
None
MG  A 722 (-3.0A)
None
None
MG  A 720 (-3.1A)
0.87Aundetectable
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		1z0k GTP-BINDING PROTEIN
FYVE-FINGER-CONTAINI
NG RAB5 EFFECTOR
PROTEIN RABENOSYN-5
(Homo
sapiens;
Homo
sapiens)		4 / 5ASN B 488
ALA B 473
GLY A  46
THR A  40
None
None
None
MG  A1201 ( 3.1A)
0.88A11.83
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		2c4k PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 1
(Homo
sapiens)		4 / 5ASN A 150
ALA A 119
LEU A 127
GLY A  94
None
0.94A22.80
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		2jii SERINE/THREONINE-PRO
TEIN KINASE VRK3
MOLECULE: VACCINIA
RELATED KINASE 3
(Homo
sapiens)		4 / 5ASN A 213
ALA A 222
LEU A 259
THR A 308
None
0.97A22.71
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		2lxp UBIQUITIN-CONJUGATIN
G ENZYME E2 G2
(Homo
sapiens)		4 / 5ASN A  33
LEU A  16
GLY A  27
THR A  74
None
0.88A18.63
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		2n7g POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 2
(Homo
sapiens)		4 / 5ASN A 151
ALA A  68
LEU A  65
GLY A 106
None
0.94A15.66
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A
(Homo
sapiens)		4 / 5ASN A 271
ALA A  44
GLY A  22
THR A 408
None
FAD  A 600 (-3.3A)
FAD  A 600 (-3.2A)
None
0.86A20.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		3c6g CYTOCHROME P450 2R1
(Homo
sapiens)		5 / 5ASN A 126
ALA A 250
LEU A 257
GLY A 305
THR A 314
VD3  A 701 (-4.2A)
VD3  A 701 (-3.3A)
None
VD3  A 701 ( 3.9A)
HEM  A 601 (-3.4A)
0.13A100.00
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		3e0l GUANINE DEAMINASE
(Homo
sapiens)		4 / 5ASN A 258
LEU A 311
GLY A 278
THR A 273
None
0.87A23.42
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		3gzd SELENOCYSTEINE LYASE
(Homo
sapiens)		4 / 5ALA C  49
LEU C  42
GLY C 262
THR C  96
None
0.73A21.85
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		5ee7 GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR
(Homo
sapiens;
Escherichia
virus
T4)		4 / 5ASN A 404
ALA A 178
LEU A 156
THR A 353
5MV  A1201 (-3.5A)
None
None
5MV  A1201 (-3.8A)
0.78A22.37
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		5erp DESMOCOLLIN-2
(Homo
sapiens)		4 / 5ASN A 304
LEU A 261
GLY A 301
THR A 221
 CA  A 816 (-2.8A)
None
None
None
0.92A22.00
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		5kc8 GLUTAMATE RECEPTOR
IONOTROPIC, DELTA-2
(Homo
sapiens)		4 / 5ASN A 203
ALA A 237
LEU A 232
THR A 249
None
0.96A21.08
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		5w7c ACYLOXYACYL
HYDROLASE
(Homo
sapiens)		4 / 5ASN C 532
ALA C 540
LEU C 259
GLY C 265
None
0.87Aundetectable
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		5xez GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR
(Homo
sapiens;
Escherichia
virus
T4)		4 / 5ASN A 404
ALA A 178
LEU A 156
THR A 353
97V  A1208 (-2.9A)
None
None
97V  A1208 (-3.3A)
0.77A21.77
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		5zqz TRIFUNCTIONAL ENZYME
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens)		4 / 5ASN A 615
LEU A 603
GLY A 608
THR A 745
None
0.96Aundetectable
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		2b5n DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1
(Homo
sapiens)		5 / 12ALA A 557
ALA A 539
THR A 640
MET A 593
THR A 594
None
1.29A20.08
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.
3DL9_B_V2HB602_0
(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.
3DL9_B_V2HB602_0
(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
1.12A20.71
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		2zmf CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A
(Homo
sapiens)		5 / 12ASN A 342
VAL A 385
ALA A 278
ILE A 343
THR A 364
None
None
None
None
CMP  A2001 (-2.8A)
1.24A18.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		3c6g CYTOCHROME P450 2R1
(Homo
sapiens)		5 / 12MET A 118
THR A 119
ALA A 250
THR A 191
THR A 312
VD3  A 701 ( 3.9A)
None
VD3  A 701 (-3.3A)
HEM  A 601 ( 4.1A)
None
1.18A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		3c6g CYTOCHROME P450 2R1
(Homo
sapiens)		12 / 12MET A 118
THR A 119
ASN A 126
PHE A 214
VAL A 218
ALA A 221
ALA A 250
GLU A 306
THR A 314
ILE A 379
MET A 487
THR A 488
VD3  A 701 ( 3.9A)
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 ( 4.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.1A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 4.6A)
0.19A100.00
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		3k9b LIVER
CARBOXYLESTERASE 1
(Homo
sapiens)		5 / 12THR A1321
VAL A1231
ALA A1236
GLU A1225
ILE A1139
None
1.07A22.14
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.
3DL9_B_V2HB602_0
(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
1.03A20.34
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.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		5exr DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT
(Homo
sapiens)		5 / 12PHE C 583
VAL C 585
ALA C 612
THR C 745
ILE C 557
None
1.30A17.31