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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
2akz GAMMA ENOLASE
(Homo
sapiens)
4 / 8ARG A 402
ASP A 208
ALA A  38
SER A  39
None
None
PO4  A 442 (-3.5A)
MG  A 441 (-2.1A)
1.01A23.91
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
2fv5 ADAM 17
(Homo
sapiens)
4 / 8ASP A 416
SER A 451
ALA A 413
SER A 457
None
0.98A19.01
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
2pz1 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 4
(Homo
sapiens)
4 / 8ARG A 605
ASP A 525
SER A 498
ARG A 496
None
1.12A20.70
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
3a6p EXPORTIN-5
(Homo
sapiens)
4 / 8PHE A 426
ASP A 425
SER A 364
SER A 369
None
1.17A18.11
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
3b97 ALPHA-ENOLASE
(Homo
sapiens)
4 / 8ARG A 402
ASP A 208
ALA A  38
SER A  39
None
None
SO4  A 436 (-3.7A)
MG  A 435 ( 2.3A)
1.01A25.82
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
3h0t FAB FRAGMENT, HEAVY
CHAIN
(Homo
sapiens)
4 / 8ARG B  70
ALA B  95
SER B  42
ARG B  45
None
0.83A20.16
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
3n00 NUCLEAR RECEPTOR
COREPRESSOR 1
REV-ERBA-ALPHA
(Homo
sapiens)
4 / 8PHE B2063
ARG B2065
ALA A 454
ARG A 461
None
1.17A3.72
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
3toj SET1/ASH2 HISTONE
METHYLTRANSFERASE
COMPLEX SUBUNIT ASH2
(Homo
sapiens)
4 / 8ASP A 360
SER A 363
ALA A 355
TYR A 359
None
1.18A17.96
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
3w1g DNA LIGASE 4
(Homo
sapiens)
4 / 8ARG A 278
ASP A 368
SER A 436
TYR A 438
ATP  A 701 (-4.3A)
None
None
None
1.01A21.15
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
4x8n SET1/ASH2 HISTONE
METHYLTRANSFERASE
COMPLEX SUBUNIT ASH2
(Homo
sapiens)
4 / 8ASP A 360
SER A 363
ALA A 355
TYR A 359
None
1.15A19.07
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
5jrp MARBERG VIRUS
MONOCLONAL ANTIBODY
MR78 FAB HEAVY CHAIN
(Homo
sapiens)
4 / 8ASP H 137
SER H 108
SER H  36
TYR H 110
None
1.03A17.19
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.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
5lf7 PROTEASOME SUBUNIT
BETA TYPE-1
(Homo
sapiens)
4 / 8ASP L 186
SER L 140
SER L  30
ARG L  28
None
None
None
K  L 302 ( 4.6A)
0.95A19.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LV9_A_20JA601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE
(Homo
sapiens)
7 / 8PHE A 193
ARG A 196
ASP A 219
SER A 241
ALA A 244
SER A 275
ARG A 311
7TA  A 504 (-3.6A)
SO4  A 501 ( 3.2A)
7TA  A 504 (-3.3A)
7TA  A 504 ( 3.8A)
7TA  A 504 (-3.5A)
7TA  A 504 (-2.7A)
SO4  A 501 ( 3.2A)
0.24A100.00
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
1k1b B-CELL LYMPHOMA
3-ENCODED PROTEIN
(Homo
sapiens)
4 / 7HIS A 290
VAL A 250
ILE A 260
ALA A 292
None
0.87A17.22
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
1xfd DIPEPTIDYL
AMINOPEPTIDASE-LIKE
PROTEIN 6
(Homo
sapiens)
5 / 7TYR A 515
VAL A 487
ILE A 463
ILE A 480
ALA A 517
None
1.39A22.46
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
3cqg NUCLEAR PORE COMPLEX
PROTEIN NUP107
(Homo
sapiens)
4 / 7HIS A 747
ILE A 723
ILE A 744
ALA A 743
None
0.87A20.61
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG
(Homo
sapiens)
5 / 7TYR A 803
VAL A 824
ILE A 826
ILE A 811
ALA A 809
None
1.48A17.76
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
1htr GASTRICSIN
PROGASTRICSIN (PRO
SEGMENT)
(Homo
sapiens)
4 / 7TYR B  14
ASP B 306
ALA B  13
SER P  12
None
1.21A22.49
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
1jmy BILE-SALT-ACTIVATED
LIPASE
(Homo
sapiens)
4 / 7PHE A 324
ASP A 320
SER A 220
ALA A 436
None
0.92A21.84
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E
(Homo
sapiens)
4 / 7SER A 195
ALA A 221
SER A 220
ARG A 217
None
CA  A 703 (-4.5A)
None
None
1.22A21.64
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
2cqn FORMIN-BINDING
PROTEIN 3
(Homo
sapiens)
4 / 7ASP A 782
ALA A 749
SER A 748
ARG A 745
None
1.26A8.98
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
2fv5 ADAM 17
(Homo
sapiens)
4 / 7ASP A 416
SER A 451
ALA A 413
SER A 457
None
1.00A19.01
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
3a6p EXPORTIN-5
(Homo
sapiens)
4 / 7PHE A 426
ASP A 425
SER A 364
SER A 369
None
1.21A18.11
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
3tje FAB E09, HEAVY CHAIN
(Homo
sapiens)
4 / 7TYR H  35
SER H  33
ALA H  54
SER H  63
None
1.24A18.82
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
5fww DICKKOPF-RELATED
PROTEIN 1
KREMEN PROTEIN 1
(Homo
sapiens)
4 / 7ASP B 201
SER C 192
ALA C 202
ARG C 203
None
1.25A20.77
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
5jrp MARBERG VIRUS
MONOCLONAL ANTIBODY
MR78 FAB HEAVY CHAIN
(Homo
sapiens)
4 / 7TYR H 110
ASP H 137
SER H 108
SER H  36
None
1.01A17.19
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
5lf7 PROTEASOME SUBUNIT
BETA TYPE-1
(Homo
sapiens)
4 / 7ASP L 186
SER L 140
SER L  30
ARG L  28
None
None
None
K  L 302 ( 4.6A)
0.95A19.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE
(Homo
sapiens)
6 / 7PHE A 193
ASP A 219
SER A 241
ALA A 244
SER A 275
ARG A 311
7TA  A 504 (-3.6A)
7TA  A 504 (-3.3A)
7TA  A 504 ( 3.8A)
7TA  A 504 (-3.5A)
7TA  A 504 (-2.7A)
SO4  A 501 ( 3.2A)
0.23A100.00
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
6avo PROTEASOME SUBUNIT
BETA TYPE-8
(Homo
sapiens)
4 / 7ASP C 167
SER C 130
SER C  21
ARG C  19
None
None
BZ7  C 301 (-4.9A)
None
1.24A11.13
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.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
6avo PROTEASOME SUBUNIT
BETA TYPE-9
(Homo
sapiens)
4 / 7ASP A 166
SER A 129
SER A  21
ARG A  19
None
1.23A9.89
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.
4LV9_B_20JB602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
1ex0 COAGULATION FACTOR
XIII A CHAIN
(Homo
sapiens)
4 / 7ILE A 612
ARG A 611
ILE A 549
ALA A 610
None
0.95A20.61
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.
4LV9_B_20JB602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
1zlr COAGULATION FACTOR
XI
(Homo
sapiens)
4 / 7VAL A  59
ILE A  88
ILE A  90
ALA A 104
None
0.94A20.12
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.
4LV9_B_20JB602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
2jzx POLY(RC)-BINDING
PROTEIN 2
(Homo
sapiens)
4 / 7VAL A 159
ILE A  16
ILE A  68
ALA A  71
None
0.89A16.30
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.
4LV9_B_20JB602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
4cns DIHYDROPYRIMIDINASE-
LIKE 3
(Homo
sapiens)
4 / 7TYR A  32
VAL A  65
ILE A  35
ILE A  45
None
0.91A21.31
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.
4LV9_B_20JB602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
4ic7 DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 5
(Homo
sapiens)
4 / 7VAL E  47
ILE E  21
ARG E  20
ILE E 104
None
0.94A14.57
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.
4LV9_B_20JB602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
4twe N-ACETYLATED-ALPHA-L
INKED ACIDIC
DIPEPTIDASE-LIKE
PROTEIN
(Homo
sapiens)
4 / 7VAL A 448
ARG A  58
ILE A  57
ALA A  54
None
0.74A22.44
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.
4LV9_B_20JB602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
5bx1 PROTEIN TYROSINE
PHOSPHATASE TYPE IVA
1
(Homo
sapiens)
4 / 7TYR A  40
ILE A  63
ILE A  45
ALA A 101
None
0.94A18.33
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.
4LV9_B_20JB602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
5m72 SIGNAL RECOGNITION
PARTICLE SUBUNIT
SRP72
(Homo
sapiens)
4 / 7TYR A  86
ARG A  93
ILE A  94
ALA A  97
None
0.70A14.99
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.
4LV9_B_20JB602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
5mr7 GRAINYHEAD-LIKE
PROTEIN 2 HOMOLOG
(Homo
sapiens)
4 / 7VAL A 300
ILE A 367
ILE A 344
ALA A 365
None
0.90A9.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4LV9_B_20JB602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE
(Homo
sapiens)
7 / 7TYR A 188
HIS A 191
VAL A 242
ILE A 309
ARG A 349
ILE A 351
ALA A 379
None
7TA  A 504 (-3.6A)
7TA  A 504 (-4.3A)
7TA  A 504 (-4.4A)
None
7TA  A 504 (-4.1A)
7TA  A 504 (-3.7A)
0.21A100.00