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.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		1rx0 ACYL-COA
DEHYDROGENASE FAMILY
MEMBER 8,
MITOCHONDRIAL
(Homo
sapiens)		5 / 10SER A 218
GLY A 215
GLU A  49
SER A  96
ASP A 368
None
1.19A20.39
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.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		3euf URIDINE
PHOSPHORYLASE 1
(Homo
sapiens)		6 / 10MET A 110
ARG A 138
GLY A 143
GLU A 248
MET A 249
GLU A 250
BAU  A 400 (-3.5A)
PO4  A 401 (-3.0A)
BAU  A 400 (-3.3A)
None
BAU  A 400 (-3.8A)
PO4  A 401 ( 4.2A)
0.32A25.07
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.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		3p0f URIDINE
PHOSPHORYLASE 2
(Homo
sapiens)		6 / 10MET A 116
ARG A 144
GLY A 149
GLU A 254
MET A 255
GLU A 256
BAU  A 400 (-3.4A)
None
BAU  A 400 (-3.5A)
None
BAU  A 400 (-3.9A)
None
0.31A24.68
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.
1PW7_A_RABA645_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2
(Homo
sapiens)		5 / 10ARG A 303
SER A 387
GLY A 383
SER A 390
ILE A 382
None
1.22A19.47
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.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		2ovj RAC
GTPASE-ACTIVATING
PROTEIN 1
(Homo
sapiens)		5 / 9MET A 491
GLY A 501
VAL A 528
GLU A 529
ILE A 504
None
1.21A23.64
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.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		3euf URIDINE
PHOSPHORYLASE 1
(Homo
sapiens)		6 / 9MET A 110
ARG A 138
GLY A 143
GLU A 248
MET A 249
GLU A 250
BAU  A 400 (-3.5A)
PO4  A 401 (-3.0A)
BAU  A 400 (-3.3A)
None
BAU  A 400 (-3.8A)
PO4  A 401 ( 4.2A)
0.33A25.07
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.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		3p0f URIDINE
PHOSPHORYLASE 2
(Homo
sapiens)		6 / 9MET A 116
ARG A 144
GLY A 149
GLU A 254
MET A 255
GLU A 256
BAU  A 400 (-3.4A)
None
BAU  A 400 (-3.5A)
None
BAU  A 400 (-3.9A)
None
0.34A24.68
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.
1PW7_B_RABB646_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		5c2k TRANSFORMING PROTEIN
RHOA,RAC
GTPASE-ACTIVATING
PROTEIN 1
(Homo
sapiens)		5 / 9MET A 353
GLY A 363
VAL A 390
GLU A 391
ILE A 366
None
1.37A19.71
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.
1PW7_C_RABC647_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		3nvn PLEXIN-C1
(Homo
sapiens)		5 / 9SER B  42
VAL B 447
GLU B 446
SER B  61
ILE B  49
None
1.50A18.26
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		2eh0 KINESIN-LIKE PROTEIN
KIF1B
(Homo
sapiens)		5 / 12LEU A  11
LEU A  48
GLY A  36
HIS A  57
PHE A  60
None
1.28A14.81
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		2g1l KINESIN-LIKE PROTEIN
KIF1C
(Homo
sapiens)		5 / 12LEU A 501
LEU A 534
GLY A 526
HIS A 543
PHE A 546
None
1.13A12.29
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		2kxh PEPTIDE OF FAR
UPSTREAM
ELEMENT-BINDING
PROTEIN 1
POLY(U)-BINDING-SPLI
CING FACTOR PUF60
(Homo
sapiens)		5 / 12LEU B  35
LEU A 220
LEU A 275
MET A 270
PHE B  31
None
1.22A4.93
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		2yh0 SPLICING FACTOR U2AF
65 KDA SUBUNIT
(Homo
sapiens)		5 / 12LEU A 279
LEU A 325
LEU A 266
GLY A 301
PHE A 288
None
1.27A18.31
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		3e0j DNA POLYMERASE
SUBUNIT DELTA-2
(Homo
sapiens)		5 / 12LEU A 283
ASP A 300
LEU A 204
LEU A 202
GLY A 201
None
1.30A22.94
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		3hig AMILORIDE-SENSITIVE
AMINE OXIDASE
(Homo
sapiens)		5 / 12LEU A 708
ASP A 705
LEU A 427
LEU A 445
GLY A 444
None
1.28A21.52
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		4egx KINESIN-LIKE PROTEIN
KIF1A
(Homo
sapiens)		5 / 12LEU A 494
LEU A 531
GLY A 519
HIS A 540
PHE A 543
None
1.14A17.82
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		4ejq KINESIN-LIKE PROTEIN
KIF1A
(Homo
sapiens)		5 / 12LEU A 494
LEU A 531
GLY A 519
HIS A 540
PHE A 543
None
1.09A15.97
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG
(Homo
sapiens)		5 / 12LEU A 321
THR A 295
LEU A 201
GLY A 195
PHE A 309
None
SAM  A 401 (-4.6A)
None
SAM  A 401 (-3.0A)
None
1.30A21.70
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME
(Homo
sapiens)		5 / 12LEU A 525
HIS A 528
LEU A 597
GLY A 531
PHE A 625
None
1.27A20.68
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		5fqd DNA DAMAGE-BINDING
PROTEIN 1
(Homo
sapiens)		5 / 12THR A1032
ASP A1092
LEU A 974
LEU A1000
GLY A1001
None
1.32A21.64
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2
(Homo
sapiens)		5 / 12LEU A 823
LEU A 774
LEU A 806
MET A 870
PHE A 852
None
1.42A20.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		7 / 12LEU A  54
ASP A 131
LYS A 186
ASP A 190
HIS A 353
MET A 358
PHE A 362
None
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
0.93A56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		8 / 12LEU A  54
HIS A  55
THR A  57
ASP A 131
LYS A 186
ASP A 190
MET A 358
PHE A 362
None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
0.72A56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		6 / 12LYS A 186
ASP A 190
GLY A 352
HIS A 353
MET A 358
PHE A 362
None
NAD  A 501 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
0.99A56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		7 / 12LYS A 186
ASP A 190
LEU A 344
LEU A 347
GLY A 352
HIS A 353
MET A 358
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
1.06A56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		5 / 12LYS A 186
ASP A 190
LEU A 347
HIS A 353
PHE A 362
None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
NAD  A 501 (-4.5A)
None
1.35A56.45
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN
(Homo
sapiens)		5 / 12LEU A 187
HIS A 185
GLY A 255
HIS A 241
PHE A 244
None
1.41A21.65
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.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens)		4 / 5GLN A 840
GLU A 851
THR A 893
HIS A 821
None
None
None
MG  A2123 (-3.1A)
1.16A20.27
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.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		2xtp GTPASE IMAP FAMILY
MEMBER 2
(Homo
sapiens)		4 / 5GLN A 121
THR A 119
THR A 146
HIS A 147
None
1.43A19.55
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.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		3gzd SELENOCYSTEINE LYASE
(Homo
sapiens)		4 / 5GLN C 174
THR C 175
GLU C 144
HIS C 231
None
1.45A22.85
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.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1
(Homo
sapiens;
synthetic
construct)		4 / 5GLN A2380
THR A2007
GLU A2095
THR A2096
None
None
MG  A4404 ( 2.9A)
None
1.41A8.85
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.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		6d4j PROTEIN PATCHED
HOMOLOG 1
(Homo
sapiens)		4 / 5THR A1133
GLU A1095
THR A 551
HIS A1099
None
1.20A10.58
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.
3GLQ_A_RABA602_2
(ADENOSYLHOMOCYSTEINA
SE)		6gpl GDP-MANNOSE 4,6
DEHYDRATASE
(Homo
sapiens)		4 / 5GLN B 341
THR B 337
GLU B 169
THR B 170
None
1.48Aundetectable
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		2eh0 KINESIN-LIKE PROTEIN
KIF1B
(Homo
sapiens)		5 / 12LEU A  11
LEU A  48
GLY A  36
HIS A  57
PHE A  60
None
1.30A14.81
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		2g1l KINESIN-LIKE PROTEIN
KIF1C
(Homo
sapiens)		5 / 12LEU A 501
LEU A 534
GLY A 526
HIS A 543
PHE A 546
None
1.15A12.29
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		2yh0 SPLICING FACTOR U2AF
65 KDA SUBUNIT
(Homo
sapiens)		5 / 12LEU A 279
LEU A 325
LEU A 266
GLY A 301
PHE A 288
None
1.29A18.31
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		3e0j DNA POLYMERASE
SUBUNIT DELTA-2
(Homo
sapiens)		5 / 12LEU A 283
ASP A 300
LEU A 204
LEU A 202
GLY A 201
None
1.30A22.94
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		3hig AMILORIDE-SENSITIVE
AMINE OXIDASE
(Homo
sapiens)		5 / 12LEU A 708
ASP A 705
LEU A 427
LEU A 445
GLY A 444
None
1.28A21.52
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		4egx KINESIN-LIKE PROTEIN
KIF1A
(Homo
sapiens)		5 / 12LEU A 494
LEU A 531
GLY A 519
HIS A 540
PHE A 543
None
1.15A17.82
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		4ejq KINESIN-LIKE PROTEIN
KIF1A
(Homo
sapiens)		5 / 12LEU A 494
LEU A 531
GLY A 519
HIS A 540
PHE A 543
None
1.10A15.97
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG
(Homo
sapiens)		5 / 12LEU A 321
THR A 295
LEU A 201
GLY A 195
PHE A 309
None
SAM  A 401 (-4.6A)
None
SAM  A 401 (-3.0A)
None
1.31A21.70
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME
(Homo
sapiens)		5 / 12LEU A 525
HIS A 528
LEU A 597
GLY A 531
PHE A 625
None
1.27A20.68
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		5fqd DNA DAMAGE-BINDING
PROTEIN 1
(Homo
sapiens)		5 / 12THR A1032
ASP A1092
LEU A 974
LEU A1000
GLY A1001
None
1.29A21.64
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2
(Homo
sapiens)		5 / 12LEU A 823
LEU A 774
LEU A 806
MET A 870
PHE A 852
None
1.38A20.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		6 / 12LEU A  54
ASP A 131
LYS A 186
ASP A 190
HIS A 353
PHE A 362
None
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
None
0.97A56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		6 / 12LEU A  54
ASP A 131
LYS A 186
HIS A 353
MET A 358
PHE A 362
None
None
None
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
0.69A56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		7 / 12LEU A  54
HIS A  55
THR A  57
ASP A 131
LYS A 186
ASP A 190
PHE A 362
None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
None
0.76A56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		7 / 12LEU A  54
HIS A  55
THR A  57
ASP A 131
LYS A 186
MET A 358
PHE A 362
None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
9W4  A 502 (-3.6A)
None
0.44A56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		5 / 12LYS A 186
ASP A 190
GLY A 352
HIS A 353
PHE A 362
None
NAD  A 501 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
None
1.02A56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		6 / 12LYS A 186
ASP A 190
LEU A 344
LEU A 347
GLY A 352
HIS A 353
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
1.11A56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		5 / 12LYS A 186
ASP A 190
LEU A 347
HIS A 353
PHE A 362
None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
NAD  A 501 (-4.5A)
None
1.37A56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		5 / 12LYS A 186
GLY A 352
HIS A 353
MET A 358
PHE A 362
None
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
0.75A56.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		6 / 12LYS A 186
LEU A 344
LEU A 347
GLY A 352
HIS A 353
MET A 358
None
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
0.93A56.45
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.
3GLQ_B_RABB602_1
(ADENOSYLHOMOCYSTEINA
SE)		5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN
(Homo
sapiens)		5 / 12LEU A 187
HIS A 185
GLY A 255
HIS A 241
PHE A 244
None
1.43A21.65
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B
(Homo
sapiens)		4 / 5GLN A 840
GLU A 851
THR A 893
HIS A 821
None
None
None
MG  A2123 (-3.1A)
1.06A20.27
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		2wmo DEDICATOR OF
CYTOKINESIS PROTEIN
9
(Homo
sapiens)		4 / 5GLN A 189
GLU A 178
THR A 154
HIS A 229
None
1.39A22.22
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		2xtp GTPASE IMAP FAMILY
MEMBER 2
(Homo
sapiens)		4 / 5GLN A 121
THR A 119
THR A 146
HIS A 147
None
1.44A19.55
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		3na0 CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME,
MITOCHONDRIAL
(Homo
sapiens)		4 / 5THR A 438
GLU A 383
THR A 384
HIS A 338
None
1.23A21.08
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		3tpu 42F3 ALPHA
42F3 BETA
(Homo
sapiens;
Mus
musculus)		4 / 5GLN A 124
GLU B 131
THR B 135
HIS B 134
None
1.37A17.03
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		3wo4 INTERLEUKIN-18
RECEPTOR 1
INTERLEUKIN-18
RECEPTOR ACCESSORY
PROTEIN
(Homo
sapiens)		4 / 5THR C 247
GLU B 273
THR B 271
HIS B 277
None
1.42A20.45
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE
(Homo
sapiens)		4 / 5GLN A 708
GLU A 727
THR A 768
HIS A 696
None
None
MG  A1002 ( 4.7A)
ZN  A1001 (-3.4A)
1.38A21.33
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1
(Homo
sapiens;
synthetic
construct)		4 / 5GLN A2380
THR A2007
GLU A2095
THR A2096
None
None
MG  A4404 ( 2.9A)
None
1.37A8.85
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		5wkh D30 TCR BETA CHAIN
T-CELL RECEPTOR
ALPHA VARIABLE
30,T-CELL RECEPTOR,
SP3.4 ALPHA CHAIN
(Homo
sapiens)		4 / 5GLN D 133
GLU E 150
THR E 154
HIS E 153
None
1.45A16.02
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3
(Homo
sapiens)		4 / 5GLN A 466
THR A 378
THR A 203
HIS A 373
None
None
None
ZN  A 902 (-3.3A)
1.11A11.63
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		6gpl GDP-MANNOSE 4,6
DEHYDRATASE
(Homo
sapiens)		4 / 5GLN B 341
THR B 337
GLU B 169
THR B 170
None
1.46Aundetectable