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.
1PK9_A_2FAA306_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
1.18A19.95
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.
1PK9_A_2FAA306_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)
0.30A26.32
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.
1PK9_A_2FAA306_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.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		1rx0 ACYL-COA
DEHYDROGENASE FAMILY
MEMBER 8,
MITOCHONDRIAL
(Homo
sapiens)		5 / 9SER A 218
GLY A 215
GLU A  49
SER A  96
ASP A 368
None
1.20A19.95
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.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		3b4v FOLLISTATIN-LIKE 3
(Homo
sapiens)		5 / 9SER C 134
GLY C 110
GLU C 119
SER C 111
ASP C 112
None
1.50A20.23
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.
1PK9_B_2FAB307_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)
0.30A26.32
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.
1PK9_B_2FAB307_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
0.29A24.68
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.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		3sek FOLLISTATIN-RELATED
PROTEIN 3
(Homo
sapiens)		5 / 9SER C 134
GLY C 110
GLU C 119
SER C 111
ASP C 112
None
1.38A19.42
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.
1PK9_B_2FAB307_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		3zyj LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN 4C
NETRIN-G1
(Homo
sapiens)		5 / 9MET B  82
ARG A 156
GLY A 228
GLU A 181
SER A 227
None
1.24A19.39
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		1l1f GLUTAMATE
DEHYDROGENASE 1
(Homo
sapiens)		5 / 11MET A 461
GLY A 214
VAL A 453
SER A 217
ILE A 212
None
1.26A19.68
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		1rx0 ACYL-COA
DEHYDROGENASE FAMILY
MEMBER 8,
MITOCHONDRIAL
(Homo
sapiens)		5 / 11SER A 218
GLY A 215
GLU A  49
SER A  96
ASP A 368
None
1.18A19.95
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		2ovj RAC
GTPASE-ACTIVATING
PROTEIN 1
(Homo
sapiens)		5 / 11MET A 491
GLY A 501
VAL A 528
GLU A 529
ILE A 504
None
1.20A23.26
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		3euf URIDINE
PHOSPHORYLASE 1
(Homo
sapiens)		6 / 11MET 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)
0.21A26.32
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		3p0f URIDINE
PHOSPHORYLASE 2
(Homo
sapiens)		6 / 11MET 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
0.24A24.68
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2
(Homo
sapiens)		5 / 11ARG A 303
SER A 387
GLY A 383
SER A 390
ILE A 382
None
1.24A20.00
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.
1PK9_C_2FAC308_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		5kyu PROTEIN TRANSPORT
PROTEIN SEC24D
(Homo
sapiens)		5 / 11SER B 452
VAL B 459
SER B 583
ASP B 448
ILE B 447
None
1.26A16.74
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.
1Z35_A_2FAA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		2r4f 3-HYDROXY-3-METHYLGL
UTARYL-COENZYME A
REDUCTASE
(Homo
sapiens)		5 / 10MET A 588
ARG A 646
THR A 689
GLY A 685
THR A 664
None
1.46A21.54
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.
1Z35_A_2FAA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		3euf URIDINE
PHOSPHORYLASE 1
(Homo
sapiens)		8 / 10MET A 110
ARG A 138
THR A 141
GLY A 143
THR A 210
GLU A 248
MET A 249
GLU A 250
BAU  A 400 (-3.5A)
PO4  A 401 (-3.0A)
PO4  A 401 ( 3.0A)
BAU  A 400 (-3.3A)
None
None
BAU  A 400 (-3.8A)
PO4  A 401 ( 4.2A)
0.58A25.95
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.
1Z35_A_2FAA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		3p0f URIDINE
PHOSPHORYLASE 2
(Homo
sapiens)		8 / 10MET A 116
ARG A 144
THR A 147
GLY A 149
THR A 216
GLU A 254
MET A 255
GLU A 256
BAU  A 400 (-3.4A)
None
BAU  A 400 (-4.5A)
BAU  A 400 (-3.5A)
None
None
BAU  A 400 (-3.9A)
None
0.50A27.12
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.
1Z35_A_2FAA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		3rjo ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1
(Homo
sapiens)		5 / 10GLY A 893
THR A 879
VAL A 891
GLU A 890
SER A 897
None
1.27A21.79
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		2i6b ADENOSINE KINASE
(Homo
sapiens)		5 / 12ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
None
None
89I  A 500 (-3.5A)
None
None
0.39A23.45
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		2i6b ADENOSINE KINASE
(Homo
sapiens)		5 / 12GLY A  63
GLY A  64
ASN A  68
ALA A 168
ASP A 300
None
89I  A 500 (-3.5A)
None
None
None
0.98A23.45
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		3b3l KETOHEXOKINASE
(Homo
sapiens)		5 / 12GLY A  40
GLY A  41
ASN A  45
GLY A 255
ASP A 258
None
0.33A25.82
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		3s4y THIAMIN
PYROPHOSPHOKINASE 1
(Homo
sapiens)		5 / 12GLY A 126
GLY A 127
ALA A 137
GLN A 134
GLY A 130
None
None
None
TPP  A1301 ( 3.6A)
UNX  A 249 ( 3.5A)
0.99A21.66
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		4a27 SYNAPTIC VESICLE
MEMBRANE PROTEIN
VAT-1 HOMOLOG-LIKE
(Homo
sapiens)		5 / 12GLY A 373
ASN A 374
PHE A 216
GLY A 376
ASP A 354
None
EDO  A1390 (-3.8A)
None
None
None
0.91A23.68
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		4cby HISTONE DEACETYLASE
4
(Homo
sapiens)		5 / 12ASP A 840
GLY A 974
GLY A 975
ALA A 980
GLY A 944
 ZN  A2034 (-2.0A)
KEE  A2033 (-3.6A)
KEE  A2033 ( 4.9A)
None
None
1.05A24.04
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		5c41 RIBOKINASE
(Homo
sapiens)		6 / 12ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
0.55A27.91
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.
2PKK_A_2FAA501_1
(ADENOSINE KINASE)		5c41 RIBOKINASE
(Homo
sapiens)		6 / 12SER A  23
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
0.56A27.91
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.
2PKK_A_2FAA501_2
(ADENOSINE KINASE)		1x5p NEGATIVE ELONGATION
FACTOR E
(Homo
sapiens)		4 / 4ALA A  67
VAL A  81
PHE A  37
THR A  72
None
1.49A15.62
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.
2PKK_A_2FAA501_2
(ADENOSINE KINASE)		1xnj BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1
(Homo
sapiens)		4 / 4ALA B 417
VAL B 520
PHE B 418
THR B 435
None
ADX  B2700 (-4.1A)
ADX  B2700 (-4.3A)
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.
2PKK_A_2FAA501_2
(ADENOSINE KINASE)		2dh7 NUCLEOLYSIN TIAR
(Homo
sapiens)		4 / 4ALA A 151
VAL A 143
PHE A 120
THR A 170
None
1.23A17.86
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.
2PKK_A_2FAA501_2
(ADENOSINE KINASE)		2hda PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE YES
(Homo
sapiens)		4 / 4ALA A 131
VAL A  93
PHE A  96
THR A 124
None
1.35A10.82
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.
2PKK_A_2FAA501_2
(ADENOSINE KINASE)		4efo SERINE/THREONINE-PRO
TEIN KINASE TBK1
(Homo
sapiens)		4 / 4ALA A 367
VAL A 310
PHE A 335
THR A 373
None
1.33A16.01
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.
2PKK_A_2FAA501_2
(ADENOSINE KINASE)		4wfh POTASSIUM CHANNEL
SUBFAMILY K MEMBER 4
(Homo
sapiens)		4 / 4ALA A 228
VAL A 210
PHE A 217
THR A 235
None
1.42A23.78
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.
2PKK_A_2FAA501_2
(ADENOSINE KINASE)		5epg ALDEHYDE OXIDASE
(Homo
sapiens)		4 / 4ALA A1282
VAL A1010
PHE A1280
THR A 937
None
1.25A13.56
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.
2PKK_A_2FAA501_2
(ADENOSINE KINASE)		5o3j NUCLEOLYSIN TIA-1
ISOFORM P40
(Homo
sapiens)		4 / 4ALA A  54
VAL A  46
PHE A  23
THR A  73
None
1.30A17.70
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.
2PKK_A_2FAA501_2
(ADENOSINE KINASE)		5te1 ATP-CITRATE SYNTHASE
(Homo
sapiens)		4 / 4ALA A 351
VAL A 358
PHE A 354
THR A 316
None
1.49A18.77
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.
2ZJ0_A_2FAA500_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
1.27A11.89
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.
2ZJ0_A_2FAA500_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
1.12A11.97
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.
2ZJ0_A_2FAA500_1
(ADENOSYLHOMOCYSTEINA
SE)		3iug RHO/CDC42/RAC
GTPASE-ACTIVATING
PROTEIN RICS
(Homo
sapiens)		5 / 12LEU A 389
LEU A 378
GLY A 375
HIS A 493
PHE A 450
None
1.41A16.77
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.
2ZJ0_A_2FAA500_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
1.17A15.96
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.
2ZJ0_A_2FAA500_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
1.10A14.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_A_2FAA500_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		8 / 12LEU A  54
HIS A  55
THR A  57
ASP A 131
GLU A 156
LYS A 186
MET A 358
PHE A 362
None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
9W4  A 502 (-3.6A)
None
0.73A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_A_2FAA500_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
0.67A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_A_2FAA500_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		8 / 12LEU A  54
THR A  57
ASP A 131
LYS A 186
ASP A 190
HIS A 353
MET A 358
PHE A 362
None
9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
0.92A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_A_2FAA500_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
0.95A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_A_2FAA500_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		6 / 12LYS A 186
ASP A 190
LEU A 347
GLY A 352
HIS A 353
MET A 358
None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
0.93A55.33
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.
2ZJ0_A_2FAA500_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
1.41A21.77
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		1iie PROTEIN (HLA-DR
ANTIGENS ASSOCIATED
INVARIANT CHAIN)
(Homo
sapiens)		4 / 5GLN A 131
THR A 156
HIS A 152
LEU A 142
None
1.25A10.42
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		1ujj ADP-RIBOSYLATION
FACTOR BINDING
PROTEIN GGA1
(Homo
sapiens)		4 / 5GLN A  36
THR A   9
THR A  18
LEU A  51
None
1.20A15.51
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1
(Homo
sapiens)		4 / 5GLN A 300
THR A 315
HIS A 361
LEU A 354
None
GIN  A 600 (-3.4A)
GIN  A 600 (-4.3A)
GIN  A 600 ( 4.6A)
1.23A18.99
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		2o8e DNA MISMATCH REPAIR
PROTEIN MSH6
(Homo
sapiens)		4 / 5THR B 750
THR B1142
HIS B1096
LEU B1149
None
1.31A19.46
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		2xk9 CHECKPOINT KINASE 2
(Homo
sapiens)		4 / 5GLN A 330
THR A 477
HIS A 339
LEU A 338
None
1.31A19.80
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1
(Homo
sapiens)		4 / 5THR A  93
THR A 369
HIS A 364
LEU A 233
None
1.23A22.57
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		4usf STE20-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens)		4 / 5GLN A 138
THR A 283
HIS A 147
LEU A 146
None
1.25A21.54
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		4usf STE20-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
(Homo
sapiens)		4 / 5THR A 224
THR A 283
HIS A 147
LEU A 146
None
1.13A21.54
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		4yff SERINE/THREONINE-PRO
TEIN KINASE TNNI3K
(Homo
sapiens)		4 / 5GLN A 523
THR A 539
HIS A 586
LEU A 577
None
4CV  A 801 (-2.8A)
None
None
1.20A19.88
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		5du3 PLASMA PROTEASE C1
INHIBITOR
(Homo
sapiens)		4 / 5GLN A 201
THR A 157
HIS A 185
LEU A 221
None
1.29A23.27
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		5fd2 SERINE/THREONINE-PRO
TEIN KINASE B-RAF
(Homo
sapiens)		4 / 5GLN A 530
THR A 529
HIS A 574
LEU A 567
None
5XJ  A 801 (-3.4A)
None
None
1.31A20.93
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		5swk DE NOVO PROTEIN
BASED ON THE
INHIBITOR
AMOEBIASIN-1
E3 UBIQUITIN-PROTEIN
LIGASE MDM2
(Entamoeba
histolytica;
Homo
sapiens)		4 / 5GLN A  72
THR C  85
HIS A  96
LEU C  94
None
1.10A15.85
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.
2ZJ0_A_2FAA500_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)
1.03A8.67
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.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)		5jiu RAN-BINDING PROTEIN
9
(Homo
sapiens)		5 / 12HIS A 255
ASP A 258
LEU A 244
GLY A 317
PHE A 275
None
1.35A21.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		7 / 12HIS A  55
THR A  57
ASP A 131
GLU A 156
LYS A 186
MET A 358
PHE A 362
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
9W4  A 502 (-3.6A)
None
0.73A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_B_2FAB500_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		8 / 12HIS A  55
THR A  57
ASP A 131
LYS A 186
ASP A 190
HIS A 353
MET A 358
PHE A 362
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
0.89A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_B_2FAB500_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
0.94A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_B_2FAB500_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)
1.07A55.33
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		1n11 ANKYRIN
(Homo
sapiens)		4 / 5LEU A 474
GLN A 471
THR A 472
THR A 518
None
1.29A21.05
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		1t44 CHIMERA OF GELSOLIN
DOMAIN 1 AND
C-TERMINAL DOMAIN OF
THYMOSIN BETA-4
(Homo
sapiens;
Mus
musculus)		4 / 5LEU G  71
GLN G  82
THR G  73
THR G 105
None
1.05A13.52
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		2c4k PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 1
(Homo
sapiens)		4 / 5LEU A  22
GLN A  64
THR A  65
THR A  27
None
1.12A21.06
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		2ff6 GELSOLIN
(Homo
sapiens)		4 / 5LEU G  71
GLN G  82
THR G  73
THR G 105
None
1.04A14.52
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		2ice COMPLEMENT C3 BETA
CHAIN
(Homo
sapiens)		4 / 5GLN A 631
THR A 632
THR A 514
HIS A  25
None
0.97A21.00
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		3fd5 SELENIDE, WATER
DIKINASE 1
(Homo
sapiens)		4 / 5LEU A 324
THR A 200
THR A 117
HIS A 256
None
1.28A22.48
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		3tu5 GELSOLIN,PROTEIN
CORDON-BLEU,THYMOSIN
BETA-4
(Homo
sapiens;
Mus
musculus)		4 / 5LEU B  47
GLN B  58
THR B  49
THR B  81
None
1.01A19.22
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		4l1m E3 UBIQUITIN-PROTEIN
LIGASE HERC2
(Homo
sapiens)		4 / 5LEU A 600
GLN A 625
THR A 621
THR A 647
None
None
None
SO4  A 802 (-3.5A)
0.99A23.21
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		4pkh GELSOLIN,TROPOMODULI
N-1 CHIMERA
(Homo
sapiens)		4 / 5LEU B  98
GLN B 109
THR B 100
THR B 132
None
1.06A16.40
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		4pki GELSOLIN,TROPOMODULI
N-1 CHIMERA
(Homo
sapiens)		4 / 5LEU G  98
GLN G 109
THR G 100
THR G 132
None
1.06A21.56
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		4z94 GELSOLIN,
TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA
(Homo
sapiens)		4 / 5LEU G  47
GLN G  58
THR G  49
THR G  81
None
1.02A21.84
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		4zrq TRANSCOBALAMIN-2
(Homo
sapiens)		4 / 5LEU A 260
GLN A 266
THR A 228
HIS A 221
None
1.20A23.38
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		5gu6 ENDOPLASMIC
RETICULUM RESIDENT
PROTEIN 44
(Homo
sapiens)		4 / 5LEU A 235
GLN A 257
THR A 264
HIS A 323
None
1.33A21.78
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		5ool 39S RIBOSOMAL
PROTEIN L38,
MITOCHONDRIAL
(Homo
sapiens)		4 / 5LEU 6 236
GLN 6 275
THR 6 238
THR 6 300
None
1.28A21.91
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		5osh VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 29
(Homo
sapiens)		4 / 5LEU A   9
THR A 136
THR A  37
HIS A  86
None
1.24A9.43
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		5veu CYTOCHROME P450 3A5
(Homo
sapiens)		4 / 5LEU A 490
GLN A 471
THR A 470
THR A 317
None
1.20A22.12
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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		6bnl NKT VALPHA14 (MOUSE)
- 2C12 TCR - HYBRID
MOUSE VARIABLE AND
HUMAN CONSTANT
DOMAINS
(Homo
sapiens)		4 / 5LEU C  20
GLN C 111
THR C 110
THR C  80
None
0.94A13.87
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.
2ZJ0_B_2FAB500_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)
1.11A8.67
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.
2ZJ0_C_2FAC500_1
(ADENOSYLHOMOCYSTEINA
SE)		2jii SERINE/THREONINE-PRO
TEIN KINASE VRK3
MOLECULE: VACCINIA
RELATED KINASE 3
(Homo
sapiens)		5 / 12HIS A 304
GLU A 214
LYS A 203
LEU A 324
PHE A 218
None
1.34A19.48
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.
2ZJ0_C_2FAC500_1
(ADENOSYLHOMOCYSTEINA
SE)		5fqd DNA DAMAGE-BINDING
PROTEIN 1
(Homo
sapiens)		5 / 12THR A1032
ASP A1092
LEU A 974
LEU A1000
GLY A1001
None
1.37A20.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_C_2FAC500_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		7 / 12HIS A  55
ASP A 131
LYS A 186
ASP A 190
HIS A 353
MET A 358
PHE A 362
9W4  A 502 (-3.7A)
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
0.90A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_C_2FAC500_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		7 / 12HIS A  55
THR A  57
ASP A 131
GLU A 156
LYS A 186
MET A 358
PHE A 362
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
9W4  A 502 (-3.6A)
None
0.71A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_C_2FAC500_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		7 / 12HIS A  55
THR A  57
ASP A 131
LYS A 186
ASP A 190
MET A 358
PHE A 362
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
0.69A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_C_2FAC500_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
0.97A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_C_2FAC500_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)
1.05A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_C_2FAC500_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
1.32A55.33
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		1t44 CHIMERA OF GELSOLIN
DOMAIN 1 AND
C-TERMINAL DOMAIN OF
THYMOSIN BETA-4
(Homo
sapiens;
Mus
musculus)		4 / 5LEU G  71
GLN G  82
THR G  73
THR G 105
None
1.00A13.52
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		2c4k PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 1
(Homo
sapiens)		4 / 5LEU A  22
GLN A  64
THR A  65
THR A  27
None
1.25A21.06
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		2ff6 GELSOLIN
(Homo
sapiens)		4 / 5LEU G  71
GLN G  82
THR G  73
THR G 105
None
0.99A14.52
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.
2ZJ0_C_2FAC500_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
1.39A19.16
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		3ll8 SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM
(Homo
sapiens)		4 / 5LEU A 274
GLN A 193
THR A 208
HIS A 271
None
1.36A21.57
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		3tu5 GELSOLIN,PROTEIN
CORDON-BLEU,THYMOSIN
BETA-4
(Homo
sapiens;
Mus
musculus)		4 / 5LEU B  47
GLN B  58
THR B  49
THR B  81
None
0.99A19.22
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE
(Homo
sapiens)		4 / 5LEU B1781
GLN B1766
THR B1765
THR B1756
None
1.18A14.55
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		4l1m E3 UBIQUITIN-PROTEIN
LIGASE HERC2
(Homo
sapiens)		4 / 5LEU A 600
GLN A 625
THR A 621
THR A 647
None
None
None
SO4  A 802 (-3.5A)
1.06A23.21
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		4pkh GELSOLIN,TROPOMODULI
N-1 CHIMERA
(Homo
sapiens)		4 / 5LEU B  98
GLN B 109
THR B 100
THR B 132
None
1.02A16.40
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		4pki GELSOLIN,TROPOMODULI
N-1 CHIMERA
(Homo
sapiens)		4 / 5LEU G  98
GLN G 109
THR G 100
THR G 132
None
1.03A21.56
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		4ylq COAGULATION FACTOR
VII
(Homo
sapiens)		4 / 5LEU H 209
GLN H  30
THR H  45
THR H 201
None
1.28A20.81
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		4z94 GELSOLIN,
TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA
(Homo
sapiens)		4 / 5LEU G  47
GLN G  58
THR G  49
THR G  81
None
0.99A21.84
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		5a1m ADSEVERIN
(Homo
sapiens)		4 / 5LEU A 317
GLN A 292
THR A 326
THR A 312
None
1.36A14.09
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		5fwm HEAT SHOCK PROTEIN
HSP 90 BETA
(Homo
sapiens)		4 / 5LEU A  98
GLN A 154
THR A 147
THR A 166
None
1.39A21.36
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		5gu6 ENDOPLASMIC
RETICULUM RESIDENT
PROTEIN 44
(Homo
sapiens)		4 / 5LEU A 235
GLN A 257
THR A 264
HIS A 323
None
1.30A21.78
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		5ool 39S RIBOSOMAL
PROTEIN L38,
MITOCHONDRIAL
(Homo
sapiens)		4 / 5LEU 6 236
GLN 6 275
THR 6 238
THR 6 300
None
1.39A21.91
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		5osh VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 29
(Homo
sapiens)		4 / 5LEU A   9
THR A 136
THR A  37
HIS A  86
None
1.30A9.43
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.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)		2jii SERINE/THREONINE-PRO
TEIN KINASE VRK3
MOLECULE: VACCINIA
RELATED KINASE 3
(Homo
sapiens)		5 / 12HIS A 304
GLU A 214
LYS A 203
LEU A 324
PHE A 218
None
1.37A19.48
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.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)		5jiu RAN-BINDING PROTEIN
9
(Homo
sapiens)		5 / 12HIS A 255
ASP A 258
LEU A 244
GLY A 317
PHE A 275
None
1.35A21.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		6 / 12HIS A  55
THR A  57
ASP A 131
GLU A 156
LYS A 186
PHE A 362
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
None
0.73A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		7 / 12HIS A  55
THR A  57
ASP A 131
LYS A 186
ASP A 190
MET A 358
PHE A 362
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
0.68A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_D_2FAD500_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
0.98A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		6 / 12LYS A 186
ASP A 190
LEU A 347
GLY A 352
HIS A 353
MET A 358
None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
0.94A55.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ZJ0_D_2FAD500_1
(ADENOSYLHOMOCYSTEINA
SE)		5w4b ADENOSYLHOMOCYSTEINA
SE
(Homo
sapiens)		7 / 12THR A  57
ASP A 131
LYS A 186
ASP A 190
HIS A 353
MET A 358
PHE A 362
9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
0.94A55.33
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		1kw2 VITAMIN D-BINDING
PROTEIN
(Homo
sapiens)		4 / 4LEU A 350
GLN A 404
THR A 354
THR A 368
None
1.02A20.72
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		1m1l SUPPRESSOR OF FUSED
(Homo
sapiens)		4 / 4LEU A 234
GLN A 217
THR A 180
THR A 225
None
1.44A18.52
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		1n11 ANKYRIN
(Homo
sapiens)		4 / 4LEU A 474
GLN A 471
THR A 472
THR A 518
None
1.37A21.05
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		1t44 CHIMERA OF GELSOLIN
DOMAIN 1 AND
C-TERMINAL DOMAIN OF
THYMOSIN BETA-4
(Homo
sapiens;
Mus
musculus)		4 / 4LEU G  71
GLN G  82
THR G  73
THR G 105
None
1.05A13.52
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		1w6j LANOSTEROL SYNTHASE
(Homo
sapiens)		4 / 4LEU A  27
GLN A 385
THR A  95
THR A  37
None
1.39A21.98
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		2c4k PHOSPHORIBOSYL
PYROPHOSPHATE
SYNTHETASE-ASSOCIATE
D PROTEIN 1
(Homo
sapiens)		4 / 4LEU A  22
GLN A  64
THR A  65
THR A  27
None
1.22A21.06
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		2ff6 GELSOLIN
(Homo
sapiens)		4 / 4LEU G  71
GLN G  82
THR G  73
THR G 105
None
1.04A14.52
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		3tu5 GELSOLIN,PROTEIN
CORDON-BLEU,THYMOSIN
BETA-4
(Homo
sapiens;
Mus
musculus)		4 / 4LEU B  47
GLN B  58
THR B  49
THR B  81
None
1.02A19.22
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		4i8v CYTOCHROME P450 1A1
(Homo
sapiens)		4 / 4LEU A  86
GLN A  94
THR A  91
THR A 390
None
1.47A22.18
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		4kmh SUPPRESSOR OF FUSED
HOMOLOG
(Homo
sapiens)		4 / 4LEU A 234
GLN A 217
THR A 180
THR A 225
None
1.46A23.42
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		4l1m E3 UBIQUITIN-PROTEIN
LIGASE HERC2
(Homo
sapiens)		4 / 4LEU A 600
GLN A 625
THR A 621
THR A 647
None
None
None
SO4  A 802 (-3.5A)
0.94A23.21
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		4pkh GELSOLIN,TROPOMODULI
N-1 CHIMERA
(Homo
sapiens)		4 / 4LEU B  98
GLN B 109
THR B 100
THR B 132
None
1.04A16.40
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		4pki GELSOLIN,TROPOMODULI
N-1 CHIMERA
(Homo
sapiens)		4 / 4LEU G  98
GLN G 109
THR G 100
THR G 132
None
1.06A21.56
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		4ylq COAGULATION FACTOR
VII
(Homo
sapiens)		4 / 4LEU H 209
GLN H  30
THR H  45
THR H 201
None
1.31A20.81
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		4z94 GELSOLIN,
TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA
(Homo
sapiens)		4 / 4LEU G  47
GLN G  58
THR G  49
THR G  81
None
1.04A21.84
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		5bqm SOMATOLIBERIN,BOTULI
NUM NEUROTOXIN TYPE
D
(Clostridium
botulinum;
Homo
sapiens)		4 / 4LEU B 647
GLN B 615
THR B 642
THR B 672
None
1.44A21.70
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		5fwm HEAT SHOCK PROTEIN
HSP 90 BETA
(Homo
sapiens)		4 / 4LEU A  98
GLN A 154
THR A 147
THR A 166
None
1.46A21.36
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		5lsp HEPATOCYTE GROWTH
FACTOR RECEPTOR
(Homo
sapiens)		4 / 4LEU A 675
GLN A 714
THR A 711
THR A 733
None
1.49A19.95
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		5ool 39S RIBOSOMAL
PROTEIN L38,
MITOCHONDRIAL
(Homo
sapiens)		4 / 4LEU 6 236
GLN 6 275
THR 6 238
THR 6 300
None
1.33A21.91
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		5t0h 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2
(Homo
sapiens)		4 / 4LEU f 342
GLN f 381
THR f 378
THR f 359
None
1.47A22.35
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		5veu CYTOCHROME P450 3A5
(Homo
sapiens)		4 / 4LEU A 490
GLN A 471
THR A 470
THR A 317
None
1.32A22.12
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		5x4f TAR DNA-BINDING
PROTEIN 43
(Homo
sapiens)		4 / 4LEU A  28
GLN A  34
THR A  32
THR A  25
None
1.42A8.69
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.
4DAN_A_2FAA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		3euf URIDINE
PHOSPHORYLASE 1
(Homo
sapiens)		6 / 11MET 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)
0.32A27.05
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.
4DAN_A_2FAA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		3p0f URIDINE
PHOSPHORYLASE 2
(Homo
sapiens)		6 / 11MET 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
0.37A26.38
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.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		3euf URIDINE
PHOSPHORYLASE 1
(Homo
sapiens)		5 / 12ARG A 138
GLY A 143
GLU A 248
MET A 249
GLU A 250
PO4  A 401 (-3.0A)
BAU  A 400 (-3.3A)
None
BAU  A 400 (-3.8A)
PO4  A 401 ( 4.2A)
0.42A27.05
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.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		3p0f URIDINE
PHOSPHORYLASE 2
(Homo
sapiens)		5 / 12ARG A 144
GLY A 149
GLU A 254
MET A 255
GLU A 256
None
BAU  A 400 (-3.5A)
None
BAU  A 400 (-3.9A)
None
0.43A26.38
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.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2
(Homo
sapiens)		5 / 12ARG A 303
SER A 387
GLY A 383
SER A 390
VAL A 291
None
1.29A20.58
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.
4DAN_B_2FAB301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		4x0q DNA POLYMERASE THETA
(Homo
sapiens)		5 / 12ARG A2228
GLY A2532
VAL A2546
GLU A2545
VAL A2554
None
1.30A16.33
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.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		2cw6 HYDROXYMETHYLGLUTARY
L-COA LYASE,
MITOCHONDRIAL
(Homo
sapiens)		6 / 12ASP A  42
LEU A  68
GLY A  43
VAL A  38
LEU A  63
GLY A 274
 MG  A 401 (-2.5A)
None
None
None
None
None
1.45A21.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		2i6b ADENOSINE KINASE
(Homo
sapiens)		9 / 12ASN A  14
ASP A  18
LEU A  40
GLY A  63
GLY A  64
ASN A  68
LEU A 138
GLY A 297
ASP A 300
89I  A 500 (-4.0A)
None
89I  A 500 ( 4.8A)
None
89I  A 500 (-3.5A)
None
89I  A 500 (-4.4A)
None
None
1.00A36.10
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.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		3b3l KETOHEXOKINASE
(Homo
sapiens)		5 / 12GLY A  40
GLY A  41
ASN A  45
GLY A 255
ASP A 258
None
0.61A23.12
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.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		4byf UNCONVENTIONAL
MYOSIN-IC
(Homo
sapiens)		6 / 12LEU A 119
GLY A 164
THR A 115
LEU A 384
ASN A 151
GLY A 150
None
1.31A20.61
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.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		5c41 RIBOKINASE
(Homo
sapiens)		6 / 12ASP A  27
GLY A  52
GLY A  53
ASN A  57
GLY A 266
ASP A 269
None
None
None
None
ACP  A 401 ( 4.1A)
NA  A 403 ( 4.7A)
0.52A25.06
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.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		5te1 ATP-CITRATE SYNTHASE
(Homo
sapiens)		5 / 12ASN A 383
GLY A 380
GLY A 381
THR A 353
GLY A 665
None
None
None
None
7A2  A 901 ( 3.4A)
0.89A18.57
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.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		6b74 COAGULATION FACTOR
XII
(Homo
sapiens)		5 / 12LEU B  64
GLY B 197
GLY B 196
LEU B 106
GLY B 193
None
None
None
None
SO4  B 304 (-3.7A)
0.76A11.29
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		1egx VASODILATOR-STIMULAT
ED PHOSPHOPROTEIN
(Homo
sapiens)		4 / 5LEU A 110
ILE A   6
ALA A 112
PHE A  47
None
1.04A15.98
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		1zcm CALPAIN 1, LARGE
[CATALYTIC] SUBUNIT
(Homo
sapiens)		4 / 5LEU A 247
ILE A 121
ALA A 213
PHE A 217
None
1.06A22.31
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3
(Homo
sapiens)		4 / 5LEU A 103
ILE A 119
ALA A 275
MET A 114
None
0.98A23.69
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1
(Avena
sativa;
Homo
sapiens)		4 / 5LEU A 546
ILE A 510
ALA A 542
MET A 499
None
1.05A23.48
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		2z7x TOLL-LIKE RECEPTOR
1, VARIABLE
LYMPHOCYTE RECEPTOR
B
(Eptatretus
burgeri;
Homo
sapiens)		4 / 5LEU B 425
ILE B 405
ALA B 391
MET B 430
None
0.97A21.44
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		3c5h GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1
(Homo
sapiens)		4 / 5LEU A 243
ILE A  93
ALA A 239
MET A  91
None
1.07A22.07
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		3fxi TOLL-LIKE RECEPTOR 4
(Homo
sapiens)		4 / 5LEU A 473
ILE A 454
MET A 478
PHE A 443
None
1.01A20.20
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		3swv BREFELDIN
A-INHIBITED GUANINE
NUCLEOTIDE-EXCHANGE
PROTEIN 2
(Homo
sapiens)		4 / 5LEU A 810
ILE A 776
ALA A 769
PHE A 722
None
1.08A18.36
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		4fss RAS
GTPASE-ACTIVATING
PROTEIN 1
(Homo
sapiens)		4 / 5ILE A 331
ALA A 286
MET A 318
PHE A 301
None
1.09A9.12
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		4r0b GLYCODELIN
(Homo
sapiens)		4 / 5ILE A 137
ALA A  25
MET A 133
PHE A 140
None
0.99A18.45
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		5gvb WD REPEAT AND
HMG-BOX DNA-BINDING
PROTEIN 1
(Homo
sapiens)		4 / 5LEU A 498
ILE A 527
ALA A 547
PHE A 557
None
1.02A21.63
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		5kyu PROTEIN TRANSPORT
PROTEIN SEC24D
(Homo
sapiens)		4 / 5ILE B 489
ALA B 568
MET B 446
PHE B 526
None
1.07A18.46
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		5ogs WD REPEAT AND
HMG-BOX DNA-BINDING
PROTEIN 1
(Homo
sapiens)		4 / 5LEU A 498
ILE A 527
ALA A 547
PHE A 557
None
0.98A22.81
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		5tja MUCOLIPIN-1
(Homo
sapiens)		4 / 5LEU A 106
ILE A 233
ALA A 128
PHE A 262
None
0.96A20.16
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		5vhj 26S PROTEASOME
REGULATORY SUBUNIT
10B
(Homo
sapiens)		4 / 5LEU E 270
ILE E 230
MET E 275
PHE E 219
None
0.96A21.55
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		5xup TELOMERIC
REPEAT-BINDING
FACTOR 1
(Homo
sapiens)		4 / 5ILE A 240
ALA A 154
MET A 236
PHE A 128
None
0.99A21.45
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.
4DC3_B_2FAB401_2
(ADENOSINE KINASE)		6bdt CALPAIN-3
(Homo
sapiens)		4 / 5LEU A 261
ILE A 135
ALA A 227
PHE A 231
None
1.08A16.10
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		1jmy BILE-SALT-ACTIVATED
LIPASE
(Homo
sapiens)		5 / 12GLY A 149
GLY A 146
PHE A 287
ALA A  67
GLN A  71
None
1.07A19.92
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		1mi1 NEUROBEACHIN
(Homo
sapiens)		5 / 12GLY A2195
GLY A2192
PHE A2170
PHE A2229
ALA A2152
None
1.09A21.78
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		1t77 LIPOPOLYSACCHARIDE-R
ESPONSIVE AND
BEIGE-LIKE ANCHOR
PROTEIN
(Homo
sapiens)		5 / 12GLY A2131
GLY A2128
PHE A2106
PHE A2165
ALA A2088
None
1.14A21.28
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		2i6b ADENOSINE KINASE
(Homo
sapiens)		5 / 12ASP A  18
GLY A  63
GLY A  64
ASN A  68
ASP A 300
None
None
89I  A 500 (-3.5A)
None
None
0.39A23.45
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		2i6b ADENOSINE KINASE
(Homo
sapiens)		5 / 12GLY A  63
GLY A  64
ASN A  68
ALA A 168
ASP A 300
None
89I  A 500 (-3.5A)
None
None
None
0.97A23.45
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		4bn2 KINESIN-LIKE PROTEIN
KIF15
(Homo
sapiens)		5 / 12GLY A 203
GLY A 204
ASN A 207
MET A 106
ALA A 224
None
1.11A21.24
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		5b4x LOW DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 8,
APOLIPOPROTEIN E
RECEPTOR, ISOFORM
CRA_E
(Homo
sapiens)		5 / 12SER B 563
GLY B 569
GLY B 568
ASN B 567
ALA B 559
None
1.18A22.07
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		5c41 RIBOKINASE
(Homo
sapiens)		5 / 12ASP A  27
GLY A  52
GLY A  53
ASN A  57
ASP A 269
None
None
None
None
NA  A 403 ( 4.7A)
0.49A27.91
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		5c41 RIBOKINASE
(Homo
sapiens)		5 / 12SER A  23
GLY A  52
GLY A  53
ASN A  57
ASP A 269
None
None
None
None
NA  A 403 ( 4.7A)
0.43A27.91
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		6eua ANGIOPOIETIN-RELATED
PROTEIN 3
(Homo
sapiens)		5 / 12SER A 399
GLY A 401
GLY A 400
ASN A 412
PHE A 295
None
1.30A12.27
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.
4UBE_A_2FAA401_1
(ADENOSINE KINASE)		6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1
(Homo
sapiens)		5 / 12SER A 504
GLY A1343
GLY A 473
ASN A 471
ALA A 511
None
1.30A12.57
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.
4UBE_A_2FAA401_2
(ADENOSINE KINASE)		1mq0 CYTIDINE DEAMINASE
(Homo
sapiens)		4 / 4ALA A  41
VAL A  20
GLY A 122
THR A 118
None
1.09A18.95
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.
4UBE_A_2FAA401_2
(ADENOSINE KINASE)		2jlp EXTRACELLULAR
SUPEROXIDE DISMUTASE
(CU-ZN)
(Homo
sapiens)		4 / 4ALA A 188
VAL A 160
GLY A 101
THR A 110
None
1.12A21.99
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.
4UBE_A_2FAA401_2
(ADENOSINE KINASE)		4cjm FIBROBLAST GROWTH
FACTOR 18
(Homo
sapiens)		4 / 4ALA A 140
VAL A 151
GLY A 162
THR A 165
None
0.98A16.17
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.
4UBE_A_2FAA401_2
(ADENOSINE KINASE)		5d3q DYNAMIN-1,DYNAMIN-1
(Homo
sapiens)		4 / 4ALA A 251
VAL A 235
GLY A 273
THR A 274
None
GDP  A 801 (-4.0A)
None
None
1.12A21.98
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.
4UBE_A_2FAA401_2
(ADENOSINE KINASE)		5xtb NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
6, MITOCHONDRIAL
(Homo
sapiens)		4 / 4ALA T  73
VAL T  77
GLY T 110
THR T 111
None
1.14A13.76