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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		1fgv H52 FV (HEAVY CHAIN)
H52 FV (LIGHT CHAIN)
(Homo
sapiens;
Homo
sapiens)		8 / 12HIS H  35
GLY H 101
PHE H 111
GLN L  89
GLN L  90
GLY L  91
LEU L  94
PRO L  96
HIS  H  35 ( 1.0A)
GLY  H 101 ( 0.0A)
PHE  H 111 ( 1.3A)
GLN  L  89 ( 0.6A)
GLN  L  90 ( 0.6A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
0.85A53.23
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		1fgv H52 FV (HEAVY CHAIN)
H52 FV (LIGHT CHAIN)
(Homo
sapiens;
Homo
sapiens)		8 / 12HIS H  35
SER H  59
PHE H 111
GLN L  89
GLN L  90
GLY L  91
LEU L  94
PRO L  96
HIS  H  35 ( 1.0A)
SER  H  59 ( 0.0A)
PHE  H 111 ( 1.3A)
GLN  L  89 ( 0.6A)
GLN  L  90 ( 0.6A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
1.00A53.23
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		1wt5 ANTI EGFR ANTIBODY
FV REGION
ANTI EGFR ANTIBODY
FV REGION
(Homo
sapiens;
Homo
sapiens)		6 / 12HIS A  35
GLY A 100
PHE A 105
GLN C  95
GLY C  96
PRO C 101
None
1.27A40.38
20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		1wt5 ANTI EGFR ANTIBODY
FV REGION
ANTI EGFR ANTIBODY
FV REGION
(Homo
sapiens;
Homo
sapiens)		6 / 12HIS A  35
GLY A 101
PHE A 105
GLN C  95
GLY C  96
PRO C 101
None
0.93A40.38
20.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		1wt5 ANTI EGFR ANTIBODY
FV REGION
ANTI EGFR ANTIBODY
FV REGION
(Homo
sapiens;
Homo
sapiens)		6 / 12TRP A  33
HIS A  35
PHE A 105
GLN C  95
GLY C  96
PRO C 101
None
0.76A40.38
20.09
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		3ikm DNA POLYMERASE
SUBUNIT GAMMA-1
(Homo
sapiens)		5 / 12ALA A 604
GLY A 714
GLN A 667
GLY A 664
LEU A 612
None
1.09A11.78
11.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		3iu3 HEAVY CHAIN OF FAB
FRAGMENT OF
BASILIXIMAB
(Homo
sapiens;
Mus
musculus)		5 / 12TRP A  31
HIS A  33
ALA A  48
SER A  57
PHE A 102
None
0.35A76.82
29.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		3qpx FAB C2507 HEAVY
CHAIN
FAB C2507 LIGHT
CHAIN
(Homo
sapiens;
Rattus
norvegicus;
Homo
sapiens;
Rattus
norvegicus)		5 / 12TRP H  33
SER H  59
PHE H 106
GLN L  89
GLN L  90
SO4  H 230 (-4.1A)
None
None
None
None
1.04A55.16
29.55
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		4bsx TIR
DOMAIN-CONTAINING
ADAPTER MOLECULE 1
(Homo
sapiens)		5 / 12ALA A  97
SER A  93
GLU A 139
GLY A 134
LEU A 125
None
0.93A20.26
21.20
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		4f1p ARF-GAP WITH
COILED-COIL, ANK
REPEAT AND PH
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		5 / 12ALA A 656
GLY A 663
GLY A 667
LEU A 692
PRO A 676
None
1.29A19.68
19.78
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		4nen INTEGRIN ALPHA-X
INTEGRIN BETA-2
(Homo
sapiens;
Homo
sapiens)		5 / 12ALA B 255
GLY A 336
GLY A 352
LEU A 103
PRO B 156
None
1.28A14.98
15.71
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		4uz1 NOTUM
(Homo
sapiens)		5 / 12TRP A 128
HIS A 389
ALA A 342
GLY A 127
GLY A 230
None
0.89A21.60
17.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		4x4y HUMAN VARIABLE HEAVY
CHAIN OF HERCEPTIN
HUMAN VARIABLE LIGHT
CHAIN OF HERCEPTIN
(Homo
sapiens;
Homo
sapiens)		5 / 12HIS A  35
GLY A 100
GLN B  89
GLN B  90
PRO B  96
None
1.14A32.87
22.52
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		4zht BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE
(Homo
sapiens)		5 / 12HIS A 110
SER A  23
GLU A 134
GLY A 182
PRO A 184
None
UDP  A 501 (-2.8A)
None
None
None
1.28A20.89
17.66
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		4zyo ACYL-COA DESATURASE
(Homo
sapiens)		5 / 12HIS A 120
SER A 127
GLU A 295
GLY A 294
GLY A 114
 ZN  A 401 ( 3.3A)
None
None
None
None
1.24A20.81
20.69
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		5cni METABOTROPIC
GLUTAMATE RECEPTOR 2
(Homo
sapiens)		5 / 12ALA A 166
SER A 143
GLU A 318
GLY A 298
GLN A  60
GGL  A 601 (-3.8A)
CL  A 602 ( 4.1A)
GGL  A 601 ( 4.9A)
None
None
1.13A17.14
17.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		5fhx ANTIBODY FRAGMENT
HEAVY-CHAIN
ANTIBODY FRAGMENT
LIGHT CHAIN
(Homo
sapiens;
Homo
sapiens)		5 / 12TRP H  33
HIS H  35
PHE H 110
GLN L 207
GLN L 208
PO4  H 401 (-4.7A)
None
None
None
None
0.78A44.93
22.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus)		5 / 12PHE L 103
GLN H 223
GLN H 224
GLY H 225
LEU H 228
PHE  L 103 ( 1.3A)
GLN  H 223 ( 0.6A)
GLN  H 224 ( 0.6A)
GLY  H 225 ( 0.0A)
LEU  H 228 ( 0.6A)
0.62A35.54
66.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ehx SCFV ABVANCE:
INCREASING OUR
KNOWLEDGE OF
ANTIBODY STRUCTURAL
SPACE TO ENABLE
FASTER AND BETTER
DECISION MAKING IN
DRUG DISCOVERY
(Homo
sapiens)		5 / 12HIS B  35
GLY B 101
PHE B 108
GLN B 225
GLN B 226
None
0.97A41.74
71.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIN_H_QI9H1226_0
(FAB 314.3)		1fgv H52 FV (HEAVY CHAIN)
H52 FV (LIGHT CHAIN)
(Homo
sapiens;
Homo
sapiens)		6 / 12HIS H  35
GLY H 101
PHE H 111
GLY L  91
LEU L  94
PRO L  96
HIS  H  35 ( 1.0A)
GLY  H 101 ( 0.0A)
PHE  H 111 ( 1.3A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
0.84A52.42
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIN_H_QI9H1226_0
(FAB 314.3)		1fgv H52 FV (HEAVY CHAIN)
H52 FV (LIGHT CHAIN)
(Homo
sapiens;
Homo
sapiens)		6 / 12HIS H  35
TRP H  47
PHE H 111
GLY L  91
LEU L  94
PRO L  96
HIS  H  35 ( 1.0A)
TRP  H  47 ( 0.4A)
PHE  H 111 ( 1.3A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
0.73A52.42
20.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIN_H_QI9H1226_0
(FAB 314.3)		1fgv H52 FV (HEAVY CHAIN)
H52 FV (LIGHT CHAIN)
(Homo
sapiens;
Homo
sapiens)		6 / 12TRP H  47
SER H  59
PHE H 111
GLY L  91
LEU L  94
PRO L  96
TRP  H  47 ( 0.4A)
SER  H  59 ( 0.0A)
PHE  H 111 ( 1.3A)
GLY  L  91 ( 0.0A)
LEU  L  94 ( 0.6A)
PRO  L  96 ( 1.1A)
0.91A52.42
20.48
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		1i2m REGULATOR OF
CHROMOSOME
CONDENSATION 1
(Homo
sapiens)		5 / 12TRP B 369
HIS B 305
SER B 300
GLY B 370
GLY B 408
None
1.35A18.39
18.47
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		1q7l AMINOACYLASE-1
AMINOACYLASE-1
(Homo
sapiens;
Homo
sapiens)		5 / 12HIS A  80
GLU A 147
GLY B 347
GLY A 176
LEU B 372
 ZN  A1002 ( 3.2A)
ZN  A1002 ( 3.8A)
None
None
None
1.40A19.50
20.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIN_H_QI9H1226_0
(FAB 314.3)		1wt5 ANTI EGFR ANTIBODY
FV REGION
ANTI EGFR ANTIBODY
FV REGION
(Homo
sapiens;
Homo
sapiens)		6 / 12HIS A  35
TRP A  47
GLY A 100
PHE A 105
GLY C  96
PRO C 101
None
1.18A35.56
17.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIN_H_QI9H1226_0
(FAB 314.3)		1wt5 ANTI EGFR ANTIBODY
FV REGION
ANTI EGFR ANTIBODY
FV REGION
(Homo
sapiens;
Homo
sapiens)		6 / 12HIS A  35
TRP A  47
GLY A 101
PHE A 105
GLY C  96
PRO C 101
None
1.15A35.56
17.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIN_H_QI9H1226_0
(FAB 314.3)		1wt5 ANTI EGFR ANTIBODY
FV REGION
ANTI EGFR ANTIBODY
FV REGION
(Homo
sapiens;
Homo
sapiens)		5 / 12TRP A  33
HIS A  35
TRP A  47
PHE A 104
PRO C 101
None
1.34A35.56
17.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIN_H_QI9H1226_0
(FAB 314.3)		1wt5 ANTI EGFR ANTIBODY
FV REGION
ANTI EGFR ANTIBODY
FV REGION
(Homo
sapiens;
Homo
sapiens)		6 / 12TRP A  33
HIS A  35
TRP A  47
PHE A 105
GLY C  96
PRO C 101
None
0.93A35.56
17.29
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		2b3o TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 6
(Homo
sapiens)		5 / 12HIS A 193
THR A 197
GLU A 182
PHE A 184
GLY A 179
None
1.14A19.14
17.43
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		2g5t DIPEPTIDYL PEPTIDASE
4
(Homo
sapiens)		5 / 12HIS A 592
THR A 351
GLY A 355
ARG A 356
GLY A 584
None
1.29A16.05
13.79
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		2nz2 ARGININOSUCCINATE
SYNTHASE
(Homo
sapiens)		5 / 12HIS A 187
THR A  91
SER A  92
GLY A 280
GLY A 264
None
CIR  A 502 (-3.7A)
None
None
None
1.50A18.20
20.32
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		2x25 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
A
(Homo
sapiens)		5 / 12THR B  41
SER B  40
GLU B  34
LEU B  24
PRO B   4
None
1.46A20.44
19.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIN_H_QI9H1226_0
(FAB 314.3)		3iu3 HEAVY CHAIN OF FAB
FRAGMENT OF
BASILIXIMAB
(Homo
sapiens;
Mus
musculus)		5 / 12TRP A  31
HIS A  33
TRP A  45
SER A  57
PHE A 102
None
0.40A74.09
29.61
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		3thc BETA-GALACTOSIDASE
(Homo
sapiens)		5 / 12TRP A 582
THR A 516
GLY A 585
GLY A 526
LEU A 524
None
1.29A16.41
16.86
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		4zyo ACYL-COA DESATURASE
(Homo
sapiens)		5 / 12HIS A 120
SER A 127
GLU A 295
GLY A 294
GLY A 114
 ZN  A 401 ( 3.3A)
None
None
None
None
1.24A20.48
21.85
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		5mio KINESIN-LIKE PROTEIN
KIF2C,KIF2C FUSED TO
A DARPIN,KIF2C FUSED
TO A DARPIN
(Homo
sapiens)		5 / 12THR C 343
SER C 489
GLY C 554
ARG C 549
PHE C 552
None
1.08A17.00
16.07
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		6amw TYROSINE-PROTEIN
KINASE ABL1
(Homo
sapiens)		5 / 12TRP A 118
THR A  98
SER A  94
LEU A  17
PRO A  18
None
1.34A23.81
22.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		2f9q CYTOCHROME P450 2D6
(Homo
sapiens)		5 / 9LEU A 121
SER A 304
THR A 309
PHE A 483
LEU A 484
None
None
HEM  A 600 (-3.5A)
None
None
1.48A99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		2f9q CYTOCHROME P450 2D6
(Homo
sapiens)		5 / 9PHE A 120
LEU A 121
GLU A 216
SER A 304
THR A 309
HEM  A 600 (-4.6A)
None
None
None
HEM  A 600 (-3.5A)
1.02A99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		2f9q CYTOCHROME P450 2D6
(Homo
sapiens)		6 / 9PHE A 120
LEU A 121
SER A 304
THR A 309
VAL A 370
LEU A 484
HEM  A 600 (-4.6A)
None
None
HEM  A 600 (-3.5A)
HEM  A 600 ( 4.9A)
None
0.66A99.37
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens)		5 / 9PHE A  84
SER A 137
VAL A  47
VAL A 162
PHE A  79
None
1.25A19.44
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		2rt5 MSX2-INTERACTING
PROTEIN
(Homo
sapiens)		5 / 9PHE A3634
SER A3637
VAL A3660
VAL A3563
LEU A3575
None
1.40A16.49
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		2z7x TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Homo
sapiens)		5 / 9LEU A 282
THR A 232
VAL A 269
PHE A 217
LEU A 213
None
1.37A20.21
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		3a1f CYTOCHROME B-245
HEAVY CHAIN
(Homo
sapiens)		5 / 9PHE A 136
SER A 163
VAL A  23
PHE A 151
LEU A 152
None
1.49A19.58
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		4giw RUN AND SH3
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)		5 / 9PHE A 137
LEU A 140
SER A 168
VAL A  15
LEU A  12
None
1.43A18.52
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		4no0 LEUKOCYTE
IMMUNOGLOBULIN-LIKE
RECEPTOR SUBFAMILY B
MEMBER 1
(Homo
sapiens)		5 / 9SER D 109
THR D 119
VAL D 161
VAL D 164
LEU D 120
None
1.40A16.42
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens)		5 / 9PHE A 365
LEU A 570
VAL A 426
VAL A 603
LEU A 420
None
None
C8E  A 702 ( 4.0A)
C8E  A 702 ( 4.1A)
C8E  A 702 (-3.6A)
1.29A22.32
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		4rxx UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 38
(Homo
sapiens)		5 / 9PHE A  80
LEU A 111
THR A  46
VAL A  85
LEU A  50
None
1.49A23.76
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		5jpn COMPLEMENT C4-A
(Homo
sapiens)		5 / 9PHE B1360
SER B1341
VAL B 980
VAL B 978
LEU B1344
None
1.42A20.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		5vbu CYTOCHROME P450
21-HYDROXYLASE
(Homo
sapiens)		5 / 9PHE A 165
LEU A 168
VAL A 479
PHE A 450
LEU A 452
None
1.22A32.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		2f9q CYTOCHROME P450 2D6
(Homo
sapiens)		5 / 9PHE A 120
LEU A 121
GLU A 216
SER A 304
THR A 309
HEM  A 600 (-4.6A)
None
None
None
HEM  A 600 (-3.5A)
1.06A99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		2f9q CYTOCHROME P450 2D6
(Homo
sapiens)		5 / 9PHE A 120
LEU A 121
SER A 304
THR A 309
VAL A 370
HEM  A 600 (-4.6A)
None
None
HEM  A 600 (-3.5A)
HEM  A 600 ( 4.9A)
0.58A99.37
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		2l73 NADPH OXIDASE
ORGANIZER 1
(Homo
sapiens)		5 / 9LEU A 103
LEU A  48
VAL A  38
VAL A  28
PHE A  26
None
1.20A16.85
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		2qv2 INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1
(Homo
sapiens)		5 / 9LEU A 173
LEU A 213
GLU A 178
VAL A 183
PHE A 235
LEU  A 173 ( 0.6A)
LEU  A 213 ( 0.6A)
GLU  A 178 ( 0.5A)
VAL  A 183 ( 0.6A)
PHE  A 235 ( 1.3A)
1.44A21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		2f9q CYTOCHROME P450 2D6
(Homo
sapiens)		5 / 9LEU A 121
ASP A 301
SER A 304
THR A 309
PHE A 483
None
None
None
HEM  A 600 (-3.5A)
None
1.22A99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		2f9q CYTOCHROME P450 2D6
(Homo
sapiens)		6 / 9PHE A 120
LEU A 121
ASP A 301
SER A 304
THR A 309
VAL A 370
HEM  A 600 (-4.6A)
None
None
None
HEM  A 600 (-3.5A)
HEM  A 600 ( 4.9A)
0.60A99.37
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.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens)		5 / 9PHE A  84
SER A 137
VAL A  47
VAL A 162
PHE A  79
None
1.26A19.44
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.
4WNV_C_QI9C602_0
(CYTOCHROME P450 2D6)		2ld4 ANAMORSIN
(Homo
sapiens)		5 / 9LEU A  67
ASP A   3
THR A  36
VAL A  42
VAL A  14
None
1.28A17.26
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		1h4l CYCLIN-DEPENDENT
KINASE 5 ACTIVATOR
(Homo
sapiens)		4 / 7PHE D 248
LEU D 227
SER D 233
VAL D 181
None
1.05A16.87
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		1unl CYCLIN-DEPENDENT
KINASE 5 ACTIVATOR 1
(Homo
sapiens)		4 / 7PHE D 248
LEU D 227
SER D 233
VAL D 181
None
1.06A20.00
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		1x5p NEGATIVE ELONGATION
FACTOR E
(Homo
sapiens)		4 / 7PHE A  34
LEU A  43
THR A  72
VAL A  20
None
0.87A13.22
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		2bp1 AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 2
(Homo
sapiens)		4 / 7PHE A 223
LEU A 216
VAL A 208
PHE A 359
None
0.93A20.75
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		2clp AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3
(Homo
sapiens)		4 / 7PHE A 223
LEU A 216
VAL A 208
PHE A 359
None
0.92A21.98
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		2cqg TAR DNA-BINDING
PROTEIN-43
(Homo
sapiens)		4 / 7PHE A 124
THR A 115
VAL A 108
PHE A 147
None
1.05A12.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		2f9q CYTOCHROME P450 2D6
(Homo
sapiens)		5 / 7PHE A 120
LEU A 121
GLU A 216
SER A 304
THR A 309
HEM  A 600 (-4.6A)
None
None
None
HEM  A 600 (-3.5A)
1.10A99.37
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		2xn6 THYROXINE-BINDING
GLOBULIN
(Homo
sapiens)		4 / 7PHE A 249
LEU A 237
THR A 342
VAL A 285
None
0.75A22.63
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		3sop NEURONAL-SPECIFIC
SEPTIN-3
(Homo
sapiens)		4 / 7LEU A  77
SER A  84
VAL A 123
PHE A  62
None
0.99A19.83
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		3v8d CHOLESTEROL
7-ALPHA-MONOOXYGENAS
E
(Homo
sapiens)		4 / 7PHE A 449
LEU A 133
SER A 140
PHE A 188
None
HEM  A 601 (-4.4A)
None
None
1.05A25.32
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		4acq ALPHA-2-MACROGLOBULI
N
(Homo
sapiens)		4 / 7PHE A 155
LEU A 778
SER A 532
VAL A 618
None
1.05A16.02
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		4cg4 PYRIN
(Homo
sapiens)		4 / 7PHE A 613
LEU A 617
GLU A 605
VAL A 642
None
0.92A20.68
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		4joc LYSOPHOSPHATIDIC
ACID PHOSPHATASE
TYPE 6
(Homo
sapiens)		4 / 7LEU A 407
GLU A 295
SER A 210
THR A 215
None
1.06A23.11
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		4k11 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC
(Homo
sapiens)		4 / 7PHE A 307
LEU A 308
GLU A 331
VAL A 328
None
1.01A20.56
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		4wlh KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1
(Homo
sapiens)		4 / 7PHE A  80
LEU A  84
GLU A 214
THR A 248
None
None
None
LLP  A 247 ( 4.3A)
1.02A22.00
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		4wp0 KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1
(Homo
sapiens)		4 / 7PHE A  80
LEU A  84
GLU A 214
THR A 248
None
None
None
LLP  A 247 ( 4.3A)
0.98A21.83
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		5ei0 SERPIN A12
(Homo
sapiens)		4 / 7PHE A 272
LEU A 260
THR A 365
VAL A 308
None
0.61A22.10
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		5lsk PROTEIN MIS12
HOMOLOG
POLYAMINE-MODULATED
FACTOR 1
(Homo
sapiens;
Homo
sapiens)		4 / 7PHE A 174
LEU B 190
SER A 172
PHE A 159
None
1.06A17.46
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		5nfj MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1
(Homo
sapiens)		4 / 7PHE A 282
SER A 277
THR A 274
PHE A 207
None
0.75Aundetectable
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		5owo CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1
(Homo
sapiens)		4 / 7LEU A  56
SER A  60
VAL A  27
PHE A  68
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		5uan RETINOIC ACID
RECEPTOR RXR-ALPHA
(Homo
sapiens)		4 / 7PHE A 439
LEU A 436
VAL A 265
PHE A 346
None
9CR  A 503 ( 4.8A)
None
None
1.04A22.69
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6bca A-KINASE ANCHOR
PROTEIN 13
(Homo
sapiens)		4 / 7PHE A2261
LEU A2274
VAL A2313
PHE A2299
None
0.97Aundetectable
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.
5ZNC_A_QI9A301_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		4j5a PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
F, MITOCHONDRIAL
(Homo
sapiens)		5 / 9VAL X 180
SER X 186
GLY X 188
VAL X  98
GLU X 185
None
1.30A24.50