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.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
2dvr BROMODOMAIN-CONTAINI
NG PROTEIN 2
(Homo
sapiens)
9 / 9TRP A  31
PRO A  32
GLN A  35
VAL A  37
LEU A  42
LEU A  44
ASN A  90
ILE A  96
MET A  99
None
0.42A64.96
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.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
2lav VACCINIA-RELATED
KINASE 1
(Homo
sapiens)
5 / 9PRO A 296
LEU A 155
LEU A 324
ILE A 299
MET A 286
None
1.48A16.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
2yek BROMODOMAIN-CONTAINI
NG PROTEIN 2
(Homo
sapiens)
8 / 9TRP A  97
PRO A  98
VAL A 103
LEU A 108
LEU A 110
ASN A 156
ILE A 162
MET A 165
None
EAM  A1188 (-4.6A)
EAM  A1188 (-4.4A)
EAM  A1188 ( 3.8A)
EAM  A1188 (-4.5A)
EAM  A1188 (-3.2A)
EAM  A1188 (-3.8A)
EAM  A1188 ( 4.1A)
0.47A69.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
2yek BROMODOMAIN-CONTAINI
NG PROTEIN 2
(Homo
sapiens)
5 / 9VAL A 103
LEU A 108
ASN A 156
ILE A 162
MET A 165
EAM  A1188 (-4.4A)
EAM  A1188 ( 3.8A)
EAM  A1188 (-3.2A)
EAM  A1188 (-3.8A)
EAM  A1188 ( 4.1A)
1.43A69.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
3nxb CAT EYE SYNDROME
CRITICAL REGION
PROTEIN 2
(Homo
sapiens)
5 / 9TRP A 457
PRO A 458
VAL A 463
ASN A 514
MET A 523
None
None
EDO  A   1 (-4.3A)
EDO  A   1 (-3.3A)
None
0.57A32.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
4hbx BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens)
9 / 9TRP A  81
PRO A  82
GLN A  85
VAL A  87
LEU A  92
LEU A  94
ASN A 140
ILE A 146
MET A 149
None
14X  A 201 (-4.4A)
None
14X  A 201 (-4.7A)
14X  A 201 (-4.4A)
None
14X  A 201 (-3.1A)
14X  A 201 ( 4.0A)
14X  A 201 (-3.5A)
0.57A100.00
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.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
4n3w CREB-BINDING PROTEIN
(Homo
sapiens)
5 / 9PRO A1110
GLN A1113
VAL A1115
LEU A1120
ASN A1168
None
0.66A20.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
4uyd BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens)
9 / 9TRP A  81
PRO A  82
GLN A  85
VAL A  87
LEU A  92
LEU A  94
ASN A 140
ILE A 146
MET A 149
None
V1T  A1171 (-4.2A)
V1T  A1171 (-4.6A)
V1T  A1171 (-4.9A)
V1T  A1171 (-3.8A)
None
V1T  A1171 (-3.1A)
DMS  A1169 ( 4.3A)
DMS  A1169 ( 3.8A)
0.35A92.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
4uyg BROMODOMAIN-CONTAINI
NG PROTEIN 2
(Homo
sapiens)
7 / 9TRP A 370
PRO A 371
VAL A 376
LEU A 381
LEU A 383
ASN A 429
MET A 438
None
None
73B  A1456 (-4.0A)
73B  A1456 (-4.9A)
73B  A1456 (-4.9A)
73B  A1456 (-3.3A)
73B  A1456 ( 3.8A)
0.43A35.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
4z93 BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens)
7 / 9TRP A 374
PRO A 375
VAL A 380
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 ( 3.8A)
4LD  A 501 (-4.1A)
4LD  A 501 (-4.4A)
4LD  A 501 (-2.8A)
4LD  A 501 ( 3.4A)
0.50A36.51
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.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5enf PH-INTERACTING
PROTEIN
(Homo
sapiens)
5 / 9PRO A1340
GLN A1343
VAL A1345
ILE A1403
MET A1406
None
None
5Q7  A1503 (-4.0A)
5Q7  A1503 ( 3.9A)
None
0.95A27.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5hjc BROMODOMAIN-CONTAINI
NG PROTEIN 3
(Homo
sapiens)
7 / 9TRP A 332
PRO A 333
VAL A 338
LEU A 343
LEU A 345
ASN A 391
MET A 400
None
0.56A39.29
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.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5i8g CREB-BINDING PROTEIN
(Homo
sapiens)
5 / 9PRO A1110
GLN A1113
VAL A1115
LEU A1120
ASN A1168
69E  A1404 (-3.7A)
69E  A1404 (-3.4A)
69E  A1404 (-4.3A)
69E  A1404 (-4.2A)
69E  A1404 (-3.0A)
0.75A22.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5lpk HISTONE
ACETYLTRANSFERASE
P300
(Homo
sapiens)
5 / 9PRO A1074
GLN A1077
VAL A1079
LEU A1084
ASN A1132
XDM  A1201 (-3.9A)
None
XDM  A1201 (-4.7A)
XDM  A1201 ( 4.4A)
XDM  A1201 (-3.1A)
0.49A31.58
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.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5u6v BROMODOMAIN-CONTAINI
NG PROTEIN 2
(Homo
sapiens)
7 / 9TRP A 370
PRO A 371
VAL A 376
LEU A 381
LEU A 383
ASN A 429
MET A 438
None
7WY  A 501 (-4.4A)
7WY  A 501 ( 4.5A)
7WY  A 501 (-4.9A)
None
7WY  A 501 (-3.4A)
7WY  A 501 ( 3.9A)
0.40Aundetectable
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.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5v84 CAT EYE SYNDROME
CRITICAL REGION
PROTEIN 2
(Homo
sapiens)
5 / 9TRP A 457
PRO A 458
VAL A 463
ASN A 514
MET A 523
None
96V  A 602 (-4.5A)
96V  A 602 (-3.9A)
96V  A 602 (-2.6A)
None
0.29A28.87
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.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
5vbr BROMODOMAIN
TESTIS-SPECIFIC
PROTEIN
(Homo
sapiens)
8 / 9TRP A  50
PRO A  51
VAL A  56
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 ( 4.6A)
IBI  A 201 (-4.2A)
IBI  A 201 (-4.9A)
IBI  A 201 (-3.3A)
IBI  A 201 ( 3.8A)
None
0.50Aundetectable
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.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)
6dne BROMODOMAIN-CONTAINI
NG PROTEIN 4
(Homo
sapiens)
9 / 9TRP A  81
PRO A  82
GLN A  85
VAL A  87
LEU A  92
LEU A  94
ASN A 140
ILE A 146
MET A 149
None
H1V  A 501 (-4.6A)
H1V  A 501 ( 4.5A)
H1V  A 501 ( 4.4A)
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)
0.52Aundetectable