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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		2dvr BROMODOMAIN-CONTAINI
NG PROTEIN 2
(Homo
sapiens)		7 / 7TRP A  31
PRO A  32
LEU A  42
LEU A  44
ASN A  90
ILE A  96
MET A  99
None
0.33A70.08
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		2lav VACCINIA-RELATED
KINASE 1
(Homo
sapiens)		5 / 7PRO A 296
LEU A 155
LEU A 324
ILE A 299
MET A 286
None
1.47A15.71
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 7LEU A 549
ASN A 219
ILE A 217
MET A 186
None
0.99A9.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		2yek BROMODOMAIN-CONTAINI
NG PROTEIN 2
(Homo
sapiens)		7 / 7TRP A  97
PRO A  98
LEU A 108
LEU A 110
ASN A 156
ILE A 162
MET A 165
None
EAM  A1188 (-4.6A)
EAM  A1188 ( 3.8A)
EAM  A1188 (-4.5A)
EAM  A1188 (-3.2A)
EAM  A1188 (-3.8A)
EAM  A1188 ( 4.1A)
0.47A70.07
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Homo
sapiens)		4 / 7PRO B  40
LEU B  68
LEU B  71
ILE B  52
None
0.96A13.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		3nxb CAT EYE SYNDROME
CRITICAL REGION
PROTEIN 2
(Homo
sapiens)		4 / 7TRP A 457
PRO A 458
ASN A 514
MET A 523
None
None
EDO  A   1 (-3.3A)
None
0.46A32.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		4hbx BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens)		7 / 7TRP A  81
PRO A  82
LEU A  92
LEU A  94
ASN A 140
ILE A 146
MET A 149
None
14X  A 201 (-4.4A)
14X  A 201 (-4.4A)
None
14X  A 201 (-3.1A)
14X  A 201 ( 4.0A)
14X  A 201 (-3.5A)
0.37A100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens)		7 / 7TRP A  81
PRO A  82
LEU A  92
LEU A  94
ASN A 140
ILE A 146
MET A 149
None
V1T  A1171 (-4.2A)
V1T  A1171 (-3.8A)
None
V1T  A1171 (-3.1A)
DMS  A1169 ( 4.3A)
DMS  A1169 ( 3.8A)
0.14A92.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		4uyg BROMODOMAIN-CONTAINI
NG PROTEIN 2
(Homo
sapiens)		6 / 7TRP A 370
PRO A 371
LEU A 381
LEU A 383
ASN A 429
MET A 438
None
None
73B  A1456 (-4.9A)
73B  A1456 (-4.9A)
73B  A1456 (-3.3A)
73B  A1456 ( 3.8A)
0.53A34.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		4z93 BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens)		6 / 7TRP A 374
PRO A 375
LEU A 385
LEU A 387
ASN A 433
MET A 442
4LD  A 501 (-3.9A)
4LD  A 501 (-3.9A)
4LD  A 501 (-4.1A)
4LD  A 501 (-4.4A)
4LD  A 501 (-2.8A)
4LD  A 501 ( 3.4A)
0.44A36.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		5hjc BROMODOMAIN-CONTAINI
NG PROTEIN 3
(Homo
sapiens)		6 / 7TRP A 332
PRO A 333
LEU A 343
LEU A 345
ASN A 391
MET A 400
None
0.58A39.29
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		5lst ATP-DEPENDENT DNA
HELICASE Q4
(Homo
sapiens)		4 / 7PRO A 597
LEU A 528
LEU A 579
ILE A 569
None
1.04A10.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		5u6v BROMODOMAIN-CONTAINI
NG PROTEIN 2
(Homo
sapiens)		6 / 7TRP A 370
PRO A 371
LEU A 381
LEU A 383
ASN A 429
MET A 438
None
7WY  A 501 (-4.4A)
7WY  A 501 (-4.9A)
None
7WY  A 501 (-3.4A)
7WY  A 501 ( 3.9A)
0.39A40.62
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		5v84 CAT EYE SYNDROME
CRITICAL REGION
PROTEIN 2
(Homo
sapiens)		4 / 7TRP A 457
PRO A 458
ASN A 514
MET A 523
None
96V  A 602 (-4.5A)
96V  A 602 (-2.6A)
None
0.41A28.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		5vbr BROMODOMAIN
TESTIS-SPECIFIC
PROTEIN
(Homo
sapiens)		7 / 7TRP A  50
PRO A  51
LEU A  61
LEU A  63
ASN A 109
ILE A 115
MET A 118
 CL  A 208 (-4.9A)
IBI  A 201 (-4.3A)
IBI  A 201 (-4.2A)
IBI  A 201 (-4.9A)
IBI  A 201 (-3.3A)
IBI  A 201 ( 3.8A)
None
0.48A68.18
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6dne BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens)		7 / 7TRP A  81
PRO A  82
LEU A  92
LEU A  94
ASN A 140
ILE A 146
MET A 149
None
H1V  A 501 (-4.6A)
H1V  A 501 (-4.2A)
H1V  A 501 (-4.7A)
H1V  A 501 (-3.2A)
H1V  A 501 (-3.8A)
H1V  A 501 ( 3.8A)
0.42Aundetectable
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		2j3t TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 1
TRAFFICKING PROTEIN
PARTICLE COMPLEX
SUBUNIT 4
(Mus
musculus;
Homo
sapiens)		5 / 8PHE D 142
PHE C  48
VAL D 156
SER D   5
TYR D   7
None
1.14A16.13
15.28
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		3f6q LIM AND SENESCENT
CELL
ANTIGEN-LIKE-CONTAIN
ING DOMAIN PROTEIN 1
(Homo
sapiens)		4 / 8PHE B  45
VAL B  24
SER B  26
TYR B  31
None
1.17A19.28
11.69
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens)		4 / 8TYR A 699
PHE A 703
PHE A 176
SER A 686
None
1.25A8.59
8.08
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		3ixe LIM AND SENESCENT
CELL
ANTIGEN-LIKE-CONTAIN
ING DOMAIN PROTEIN 2
(Homo
sapiens)		4 / 8PHE B  45
VAL B  24
SER B  26
TYR B  31
None
1.13A18.07
14.47
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		3pmi PWWP
DOMAIN-CONTAINING
PROTEIN MUM1
(Homo
sapiens)		4 / 8TYR A 513
PHE A 509
VAL A 521
SER A 518
None
1.04A19.12
23.21
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		4jra SYNAPTIC VESICLE
GLYCOPROTEIN 2C
(Homo
sapiens)		4 / 8PHE C 532
PHE C 522
SER C 515
TYR C 497
None
1.16A20.90
20.71
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		4yd8 PROTEIN PTHB1
(Homo
sapiens)		4 / 8PHE A 279
PHE A 268
VAL A 251
SER A 259
None
1.18A10.83
13.02
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		5h7v KUNITZ-TYPE PROTEASE
INHIBITOR 1
(Homo
sapiens)		4 / 8PHE A 131
VAL A 145
SER A 148
TYR A 146
None
0.80A12.83
12.20
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		5jlv SYNAPTIC VESICLE
GLYCOPROTEIN 2C
(Homo
sapiens)		4 / 8PHE C 532
PHE C 522
SER C 515
TYR C 497
None
1.11A20.17
20.34
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		5mkf POLYCYSTIN-2
(Homo
sapiens)		4 / 8TYR A 227
PHE A 230
PHE A 480
VAL A 515
None
1.23A5.51
6.05
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
(Homo
sapiens)		5 / 8PHE B 100
HIS B 102
VAL B 203
SER B 205
TYR B 210
None
0.69A20.22
100.00
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6es1 SYNAPTIC VESICLE
GLYCOPROTEIN 2C
(Homo
sapiens)		4 / 8PHE B 532
PHE B 522
SER B 515
TYR B 497
None
1.11A16.28
20.00