SIMILAR PATTERNS OF AMINO ACIDS FOR 3G1U_A_ADNA438_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score 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.
1ac5 KEX1(DELTA)P

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		5 HIS A 150
ASP A 141
LEU A  49
LEU A  36
PHE A 185
 None
 1.24A 3g1uA-1ac5A:
undetectable		 3g1uA-1ac5A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bhw XYLOSE ISOMERASE

(Actinoplanes
missouriensis) 		PF01261
(AP_endonuc_2) 		5 HIS A  54
ASN A 215
GLY A  14
HIS A 290
MET A  88
 None
 1.39A 3g1uA-1bhwA:
undetectable		 3g1uA-1bhwA:
22.27
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.
1h3e TYROSYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00579
(tRNA-synt_1b) 		5 LEU A 269
LEU A 243
GLY A 242
HIS A  52
MET A 233
 None
None
None
ATP  A1433 (-4.3A)
None
 1.41A 3g1uA-1h3eA:
undetectable		 3g1uA-1h3eA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lbu MURAMOYL-PENTAPEPTID
E CARBOXYPEPTIDASE

(Streptomyces
albus) 		PF01471
(PG_binding_1)
PF08291
(Peptidase_M15_3) 		5 THR A 115
GLU A 183
LEU A 162
GLY A 136
HIS A 154
 None
None
None
None
ZN  A 214 ( 3.3A)
 1.42A 3g1uA-1lbuA:
undetectable		 3g1uA-1lbuA:
19.21
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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASN A 398
LEU A 487
LEU A 484
GLY A  65
HIS A  66
 None
 1.25A 3g1uA-1o99A:
3.5		 3g1uA-1o99A:
24.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ogq POLYGALACTURONASE
INHIBITING PROTEIN

(Phaseolus
vulgaris) 		PF08263
(LRRNT_2) 		5 LEU A 251
LEU A 264
LEU A 242
GLY A 241
PHE A 235
 None
 1.18A 3g1uA-1ogqA:
undetectable		 3g1uA-1ogqA:
22.00
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.
1phz PROTEIN
(PHENYLALANINE
HYDROXYLASE)

(Rattus
norvegicus) 		PF00351
(Biopterin_H)
PF01842
(ACT) 		5 ASN A 207
LEU A 354
GLY A 289
HIS A 206
PHE A 392
 None
 1.36A 3g1uA-1phzA:
undetectable		 3g1uA-1phzA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uwv 23S RRNA
(URACIL-5-)-METHYLTR
ANSFERASE RUMA

(Escherichia
coli) 		PF01938
(TRAM)
PF05958
(tRNA_U5-meth_tr) 		5 THR A 306
ASN A 271
LEU A 256
LEU A 254
GLY A 253
 None
 1.10A 3g1uA-1uwvA:
6.6		 3g1uA-1uwvA:
22.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  53
HIS A  54
ASP A 134
GLU A 200
ASN A 235
LEU A 389
LEU A 392
GLY A 397
HIS A 398
 None
ADN  A 502 (-4.1A)
ADN  A 502 (-3.1A)
ADN  A 502 (-4.0A)
NAD  A 501 (-3.4A)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
 0.89A 3g1uA-1v8bA:
55.2		 3g1uA-1v8bA:
51.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  53
HIS A  54
THR A  56
ASP A 134
GLU A 200
LEU A 389
LEU A 392
GLY A 397
HIS A 398
MET A 403
PHE A 407
 None
ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-3.1A)
ADN  A 502 (-4.0A)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
 0.64A 3g1uA-1v8bA:
55.2		 3g1uA-1v8bA:
51.96
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.
1xou ESPA
Z5138 GENE PRODUCT

(Escherichia
coli) 		PF03433
(EspA)
PF11439
(T3SchapCesA) 		5 LEU A  35
THR A 184
ASP A  31
LEU B  55
LEU B  58
 None
 1.42A 3g1uA-1xouA:
undetectable		 3g1uA-1xouA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y23 HISTIDINE TRIAD
PROTEIN

(Bacillus
subtilis) 		PF01230
(HIT) 		5 LEU A  43
HIS A 104
ASP A  33
GLY A  95
PHE A   9
 None
 1.33A 3g1uA-1y23A:
undetectable		 3g1uA-1y23A:
15.95
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.
2ayu NUCLEOSOME ASSEMBLY
PROTEIN

(Saccharomyces
cerevisiae) 		PF00956
(NAP) 		5 LEU A 232
THR A 251
GLU A 220
ASN A 122
GLY A 228
 None
 1.25A 3g1uA-2ayuA:
undetectable		 3g1uA-2ayuA:
20.93
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.
2b7n PROBABLE
NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Helicobacter
pylori) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 LEU A  50
GLU A  46
ASN A 141
LEU A  96
LEU A  97
 None
 1.37A 3g1uA-2b7nA:
undetectable		 3g1uA-2b7nA:
19.91
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.
2cul GLUCOSE-INHIBITED
DIVISION PROTEIN
A-RELATED PROTEIN,
PROBABLE
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF01134
(GIDA) 		5 LEU A 195
LEU A  96
LEU A  94
GLY A  93
PHE A 183
 None
 1.19A 3g1uA-2culA:
3.2		 3g1uA-2culA:
20.56
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.
2eh0 KINESIN-LIKE PROTEIN
KIF1B

(Homo sapiens) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		5 LEU A  11
LEU A  48
GLY A  36
HIS A  57
PHE A  60
 None
 1.30A 3g1uA-2eh0A:
undetectable		 3g1uA-2eh0A:
15.31
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.
2fk5 FUCULOSE-1-PHOSPHATE
ALDOLASE

(Thermus
thermophilus) 		PF00596
(Aldolase_II) 		5 LEU A 140
ASN A  28
LEU A 148
GLY A 152
HIS A  88
 None
SO4  A1001 (-3.9A)
None
None
None
 1.43A 3g1uA-2fk5A:
undetectable		 3g1uA-2fk5A:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g1l KINESIN-LIKE PROTEIN
KIF1C

(Homo sapiens) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		5 LEU A 501
LEU A 534
GLY A 526
HIS A 543
PHE A 546
 None
 1.11A 3g1uA-2g1lA:
undetectable		 3g1uA-2g1lA:
13.10
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.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		5 LEU A 263
ASP A  91
LEU A 104
GLY A 159
MET A  96
 None
 1.23A 3g1uA-2hp3A:
undetectable		 3g1uA-2hp3A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		5 LEU A 614
GLU A 617
LEU A 678
LEU A 303
GLY A 549
 None
 1.28A 3g1uA-2o3eA:
undetectable		 3g1uA-2o3eA:
20.61
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.
2vnu EXOSOME COMPLEX
EXONUCLEASE RRP44

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		5 LEU D 780
LEU D 696
LEU D 694
GLY D 833
HIS D 755
 None
A  B  -5 ( 4.2A)
None
A  B  -5 ( 3.4A)
A  B  -5 ( 3.5A)
 0.98A 3g1uA-2vnuD:
undetectable		 3g1uA-2vnuD:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w61 GLYCOLIPID-ANCHORED
SURFACE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03198
(Glyco_hydro_72)
PF07983
(X8) 		5 LEU A 169
THR A 103
LEU A 305
GLY A 304
PHE A  52
 None
 1.37A 3g1uA-2w61A:
undetectable		 3g1uA-2w61A:
21.66
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.
2waa XYLAN ESTERASE,
PUTATIVE, AXE2C

(Cellvibrio
japonicus) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 125
GLU A  96
LEU A  52
LEU A 119
GLY A 121
 None
 0.91A 3g1uA-2waaA:
5.3		 3g1uA-2waaA:
23.03
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.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00657
(Lipase_GDSL) 		5 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.25A 3g1uA-2wabA:
5.5		 3g1uA-2wabA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x40 BETA-GLUCOSIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 LEU A 304
THR A  43
GLY A  41
MET A 240
PHE A 238
 None
 1.21A 3g1uA-2x40A:
undetectable		 3g1uA-2x40A:
20.32
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.
2yh0 SPLICING FACTOR U2AF
65 KDA SUBUNIT

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A 279
LEU A 325
LEU A 266
GLY A 301
PHE A 288
 None
 1.30A 3g1uA-2yh0A:
undetectable		 3g1uA-2yh0A:
18.69
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.
3a98 DEDICATOR OF
CYTOKINESIS PROTEIN
2

(Homo sapiens) 		PF07653
(SH3_2)
PF16172
(DOCK_N) 		5 LEU A  87
GLU A  90
ASN A 156
LEU A  95
LEU A 124
 None
 1.30A 3g1uA-3a98A:
undetectable		 3g1uA-3a98A:
16.55
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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 THR A 271
ASP A 300
LEU A  60
GLY A 262
HIS A 265
 None
 1.16A 3g1uA-3b1rA:
4.6		 3g1uA-3b1rA:
21.87
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.
3bz5 INTERNALIN-J

(Listeria
monocytogenes) 		PF12799
(LRR_4) 		5 LEU A  98
ASN A 146
LEU A 141
MET A 108
PHE A  71
 None
 1.31A 3g1uA-3bz5A:
undetectable		 3g1uA-3bz5A:
21.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
ASN A 253
LEU A 407
LEU A 410
GLY A 415
HIS A 416
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 (-3.5A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-4.8A)
 0.82A 3g1uA-3ce6A:
55.4		 3g1uA-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.66A 3g1uA-3ce6A:
55.4		 3g1uA-3ce6A:
54.40
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.
3fsg ALPHA/BETA
SUPERFAMILY
HYDROLASE

(Oenococcus oeni) 		PF12697
(Abhydrolase_6) 		5 LEU A 187
LEU A  75
LEU A  99
GLY A  96
HIS A  25
 None
 1.34A 3g1uA-3fsgA:
5.5		 3g1uA-3fsgA:
20.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A  61
ASP A 139
GLU A 199
ASN A 234
LEU A 388
 None
RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
NAD  A 601 (-3.5A)
RAB  A 602 ( 4.7A)
 1.43A 3g1uA-3glqA:
55.6		 3g1uA-3glqA:
55.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 199
ASN A 234
LEU A 385
LEU A 388
GLY A 393
HIS A 394
MET A 399
PHE A 403
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
NAD  A 601 (-3.5A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.71A 3g1uA-3glqA:
55.6		 3g1uA-3glqA:
55.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  51
HIS A  52
THR A  54
ASP A 130
GLU A 155
ASN A 190
LEU A 343
LEU A 346
GLY A 351
PHE A 361
 None
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
None
NAD  A 438 (-3.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
None
 0.73A 3g1uA-3h9uA:
62.4		 3g1uA-3h9uA:
85.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  51
HIS A  52
THR A  54
ASP A 130
GLU A 155
LEU A 343
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
 None
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
None
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
 0.55A 3g1uA-3h9uA:
62.4		 3g1uA-3h9uA:
85.35
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.
3hym ANAPHASE-PROMOTING
COMPLEX SUBUNIT
CDC26
CELL DIVISION CYCLE
PROTEIN 16 HOMOLOG

(Homo sapiens) 		PF10471
(ANAPC_CDC26)
PF13424
(TPR_12) 		5 LEU B 380
THR A   7
GLU B 377
LEU B 372
HIS B 342
 None
 1.33A 3g1uA-3hymB:
undetectable		 3g1uA-3hymB:
21.04
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.
3iug RHO/CDC42/RAC
GTPASE-ACTIVATING
PROTEIN RICS

(Homo sapiens) 		PF00620
(RhoGAP) 		5 LEU A 389
LEU A 378
GLY A 375
HIS A 493
PHE A 450
 None
 1.39A 3g1uA-3iugA:
undetectable		 3g1uA-3iugA:
19.77
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.
3kxd CALCIUM-GATED
POTASSIUM CHANNEL
MTHK

(Methanothermobacter
thermautotrophicus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 LEU A 185
GLU A 190
LEU A 170
LEU A 142
GLY A 162
 None
 1.36A 3g1uA-3kxdA:
7.9		 3g1uA-3kxdA:
20.47
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.
3lft UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF04392
(ABC_sub_bind) 		5 LEU A 287
THR A 291
ASP A 163
ASN A 244
GLY A 116
 None
None
TRP  A   1 (-2.5A)
TRP  A   1 (-3.3A)
None
 1.33A 3g1uA-3lftA:
undetectable		 3g1uA-3lftA:
22.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
ASN A 227
LEU A 378
LEU A 381
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 (-3.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
None
 0.73A 3g1uA-3n58A:
31.6		 3g1uA-3n58A:
58.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.50A 3g1uA-3n58A:
31.6		 3g1uA-3n58A:
58.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
ASN A 240
LEU A 395
LEU A 398
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 (-3.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-4.9A)
 0.91A 3g1uA-3oneA:
53.3		 3g1uA-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.74A 3g1uA-3oneA:
53.3		 3g1uA-3oneA:
58.78
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.
3txa CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF00092
(VWA) 		5 ASN A 661
LEU A 644
LEU A 628
GLY A 631
PHE A 613
 None
 1.25A 3g1uA-3txaA:
undetectable		 3g1uA-3txaA:
21.52
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.
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus sp.
RS-1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 200
LEU A 216
LEU A 220
GLY A 221
HIS A 223
 None
 1.33A 3g1uA-3u9iA:
undetectable		 3g1uA-3u9iA:
23.69
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.
3vtf UDP-GLUCOSE
6-DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 LEU A  23
HIS A  25
ASN A 153
LEU A   4
PHE A 166
 None
 1.10A 3g1uA-3vtfA:
undetectable		 3g1uA-3vtfA:
23.48
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.
3wqb OPEN READING FRAME 2

(Aeromonas
sobria) 		no annotation 5 THR B 102
LEU B  96
LEU B  84
GLY B  83
HIS B  82
 None
 1.32A 3g1uA-3wqbB:
undetectable		 3g1uA-3wqbB:
15.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4egx KINESIN-LIKE PROTEIN
KIF1A

(Homo sapiens) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		5 LEU A 494
LEU A 531
GLY A 519
HIS A 540
PHE A 543
 None
 1.14A 3g1uA-4egxA:
undetectable		 3g1uA-4egxA:
17.81
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.
4ejq KINESIN-LIKE PROTEIN
KIF1A

(Homo sapiens) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		5 LEU A 494
LEU A 531
GLY A 519
HIS A 540
PHE A 543
 None
 1.08A 3g1uA-4ejqA:
undetectable		 3g1uA-4ejqA:
16.48
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.
4fxd DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASN A 980
LEU A1030
LEU A 868
GLY A 974
PHE A 849
 None
 1.35A 3g1uA-4fxdA:
undetectable		 3g1uA-4fxdA:
19.31
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.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 LEU A 404
HIS A 317
LEU A 313
GLY A 383
PHE A 400
 None
 1.40A 3g1uA-4gaaA:
undetectable		 3g1uA-4gaaA:
21.04
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 LEU A 281
LEU A 528
GLY A 105
HIS A 108
PHE A 113
 None
 1.34A 3g1uA-4iv9A:
2.6		 3g1uA-4iv9A:
23.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  57
HIS A  58
THR A  60
ASP A 135
GLU A 197
ASN A 232
LEU A 383
LEU A 386
HIS A 392
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
NAD  A 503 (-3.6A)
NAD  A 503 ( 3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.5A)
ADN  A 501 (-4.8A)
 0.78A 3g1uA-4lvcA:
57.7		 3g1uA-4lvcA:
60.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  57
HIS A  58
THR A  60
ASP A 135
GLU A 197
LEU A 383
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
NAD  A 503 ( 3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.58A 3g1uA-4lvcA:
57.7		 3g1uA-4lvcA:
60.17
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.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 THR A 495
ASP A 914
LEU A 895
LEU A 493
GLY A 899
 None
 1.15A 3g1uA-4mz0A:
undetectable		 3g1uA-4mz0A:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oj5 TAILSPIKE PROTEIN

(Escherichia
virus CBA120) 		no annotation 5 LEU A 667
LEU A 627
LEU A 672
GLY A 674
PHE A 683
 None
 1.11A 3g1uA-4oj5A:
undetectable		 3g1uA-4oj5A:
19.80
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.
4qax 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Staphylococcus
aureus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ASN A 392
LEU A 481
LEU A 478
GLY A  65
HIS A  66
 None
 1.14A 3g1uA-4qaxA:
undetectable		 3g1uA-4qaxA:
22.24
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.
4utg SUGAR KINASE

(Burkholderia
pseudomallei) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 198
LEU A  14
GLY A  15
MET A 261
PHE A 257
 None
None
CL  A 402 ( 3.7A)
None
None
 1.29A 3g1uA-4utgA:
undetectable		 3g1uA-4utgA:
21.17
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.
4v06 TRYPTOPHAN
5-HYDROXYLASE 2

(Homo sapiens) 		PF00351
(Biopterin_H) 		5 GLU A 238
ASN A 242
LEU A 381
GLY A 322
PHE A 425
 None
 1.25A 3g1uA-4v06A:
undetectable		 3g1uA-4v06A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 LEU A 735
ASN A 683
LEU A 752
GLY A 754
PHE A 690
 None
 1.14A 3g1uA-4w8jA:
undetectable		 3g1uA-4w8jA:
16.32
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.
4zi6 CYTOSOL
AMINOPEPTIDASE

(Helicobacter
pylori) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 GLU A 303
LEU A 206
LEU A 292
GLY A 306
HIS A 241
 None
 1.38A 3g1uA-4zi6A:
undetectable		 3g1uA-4zi6A:
22.77
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.
4zmi TELOMERE LENGTH
REGULATOR TAZ1

(Schizosaccharomyces
pombe) 		PF08558
(TRF) 		5 LEU A 224
LEU A 191
LEU A 197
GLY A 196
PHE A 217
 None
 1.20A 3g1uA-4zmiA:
undetectable		 3g1uA-4zmiA:
17.46
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.
5ao5 C-TYPE MANNOSE
RECEPTOR 2

(Homo sapiens) 		PF00040
(fn2)
PF00059
(Lectin_C) 		5 LEU A 126
ASN A 118
LEU A 133
LEU A 107
GLY A 108
 None
 1.32A 3g1uA-5ao5A:
undetectable		 3g1uA-5ao5A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b0n E3 UBIQUITIN-PROTEIN
LIGASE IPAH9.8

(Shigella
flexneri) 		PF12468
(TTSSLRR) 		5 LEU A 152
ASN A 143
LEU A 139
LEU A 159
PHE A 188
 None
 1.18A 3g1uA-5b0nA:
undetectable		 3g1uA-5b0nA:
20.45
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.
5css TRIOSEPHOSPHATE
ISOMERASE

(Thermoplasma
acidophilum) 		PF00121
(TIM) 		5 HIS A  59
ASP A  61
ASN A 101
LEU A  94
LEU A  87
 None
 1.37A 3g1uA-5cssA:
undetectable		 3g1uA-5cssA:
21.05
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.
5fur TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1
TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 2

(Homo sapiens) 		PF12157
(DUF3591)
no annotation 		5 GLU G 674
ASN I 509
GLY G 680
MET G 683
PHE G 685
 None
 1.33A 3g1uA-5furG:
undetectable		 3g1uA-5furG:
12.85
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.
5gka CAPSID PROTEIN VP0

(Aichivirus A) 		PF00073
(Rhv) 		5 HIS B 267
ASN B 306
LEU B 349
LEU B 339
GLY B 269
 None
 1.26A 3g1uA-5gkaB:
undetectable		 3g1uA-5gkaB:
19.69
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.
5h0r VP4 PROTEIN

(Cypovirus 1) 		no annotation 5 LEU G 551
HIS G 296
LEU G 273
GLY G 297
PHE G 362
 None
 1.39A 3g1uA-5h0rG:
undetectable		 3g1uA-5h0rG:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h45 DNA REPAIR PROTEIN
RADA

(Thermus
thermophilus) 		PF13541
(ChlI) 		5 GLU A 416
ASN A 410
LEU A 374
LEU A 353
GLY A 376
 None
 1.36A 3g1uA-5h45A:
undetectable		 3g1uA-5h45A:
20.44
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.
5irm UNCHARACTERIZED
PROTEIN

(Oryctolagus
cuniculus) 		PF05729
(NACHT)
PF13516
(LRR_6) 		5 LEU A 912
ASN A 945
LEU A 955
LEU A 927
GLY A 923
 None
 1.34A 3g1uA-5irmA:
undetectable		 3g1uA-5irmA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jia RAN-BINDING PROTEIN
10

(Mus musculus) 		PF00622
(SPRY) 		5 HIS A 143
ASP A 146
LEU A 132
GLY A 205
PHE A 163
 None
 1.23A 3g1uA-5jiaA:
undetectable		 3g1uA-5jiaA:
19.66
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.
5jiu RAN-BINDING PROTEIN
9

(Homo sapiens) 		PF00622
(SPRY) 		5 HIS A 255
ASP A 258
LEU A 244
GLY A 317
PHE A 275
 None
 1.27A 3g1uA-5jiuA:
undetectable		 3g1uA-5jiuA:
18.97
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.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		5 LEU A 400
THR A 476
LEU A  31
LEU A 385
GLY A 384
 None
 1.38A 3g1uA-5lq3A:
undetectable		 3g1uA-5lq3A:
18.88
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.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		5 LEU A 368
GLU A 361
LEU A 397
LEU A 403
GLY A 402
 None
 1.28A 3g1uA-5lrbA:
undetectable		 3g1uA-5lrbA:
18.74
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 LEU A 823
LEU A 774
LEU A 806
MET A 870
PHE A 852
 None
 1.40A 3g1uA-5okoA:
undetectable		 3g1uA-5okoA:
21.43
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.
5sym ACYL-PROTEIN
THIOESTERASE 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		5 LEU A  99
GLU A 103
LEU A 136
LEU A 115
GLY A 116
 None
 1.22A 3g1uA-5symA:
2.3		 3g1uA-5symA:
20.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  52
HIS A  53
ASP A 137
GLU A 211
ASN A 246
LEU A 401
LEU A 404
PHE A 419
 None
SAH  A 502 (-4.0A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
NAD  A 501 (-3.5A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 4.7A)
SAH  A 502 (-4.8A)
 0.86A 3g1uA-5utuA:
50.6		 3g1uA-5utuA:
50.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  52
HIS A  53
THR A  55
ASP A 137
GLU A 211
LEU A 401
LEU A 404
GLY A 409
HIS A 410
MET A 415
PHE A 419
 None
SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.64A 3g1uA-5utuA:
50.6		 3g1uA-5utuA:
50.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  58
HIS A  59
THR A  61
ASP A 136
GLU A 197
ASN A 232
LEU A 386
LEU A 389
PHE A 404
 None
ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
NAD  A 501 (-3.5A)
NAD  A 501 (-3.9A)
ADN  A 502 ( 4.7A)
ADN  A 502 (-4.9A)
 0.80A 3g1uA-5v96A:
56.4		 3g1uA-5v96A:
57.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  58
HIS A  59
THR A  61
ASP A 136
GLU A 197
LEU A 386
LEU A 389
GLY A 394
HIS A 395
MET A 400
PHE A 404
 None
ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
NAD  A 501 (-3.9A)
ADN  A 502 ( 4.7A)
ADN  A 502 (-3.7A)
ADN  A 502 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.61A 3g1uA-5v96A:
56.4		 3g1uA-5v96A:
57.20
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.
5vfz GP33

(Mycobacterium
virus Brujita) 		no annotation 5 LEU A 145
LEU A 166
LEU A 164
GLY A 161
PHE A 203
 None
 1.31A 3g1uA-5vfzA:
undetectable		 3g1uA-5vfzA:
10.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ASP A 131
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
 0.95A 3g1uA-5w4bA:
37.2		 3g1uA-5w4bA:
71.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  54
HIS A  55
THR A  57
ASP A 131
GLU A 156
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
 0.91A 3g1uA-5w4bA:
37.2		 3g1uA-5w4bA:
71.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		7 LEU A  54
HIS A  55
THR A  57
ASP A 131
HIS A 353
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.84A 3g1uA-5w4bA:
37.2		 3g1uA-5w4bA:
71.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A 344
LEU A 347
GLY A 352
HIS A 353
MET A 358
 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)
 0.78A 3g1uA-5w4bA:
37.2		 3g1uA-5w4bA:
71.17
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.
5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		5 LEU A 187
HIS A 185
GLY A 255
HIS A 241
PHE A 244
 None
 1.40A 3g1uA-5xgsA:
undetectable		 3g1uA-5xgsA:
21.44
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.
5y4j XYLOSE ISOMERASE

(Streptomyces
rubiginosus) 		PF01261
(AP_endonuc_2) 		5 HIS A  54
ASN A 215
GLY A  14
HIS A 285
MET A  88
 XYL  A 402 (-3.8A)
None
None
None
None
 1.40A 3g1uA-5y4jA:
undetectable		 3g1uA-5y4jA:
22.22
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.
5ykb TREHALOSE SYNTHASE

(Deinococcus
radiodurans) 		no annotation 5 LEU A  43
LEU A 444
LEU A 451
MET A 405
PHE A  22
 None
 1.33A 3g1uA-5ykbA:
undetectable		 3g1uA-5ykbA:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		9 LEU A  57
HIS A  58
THR A  60
ASP A 136
GLU A 161
ASN A 196
LEU A 349
LEU A 352
PHE A 367
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
NAD  A 500 (-3.5A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
None
 0.86A 3g1uA-6aphA:
60.4		 3g1uA-6aphA:
64.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		11 LEU A  57
HIS A  58
THR A  60
ASP A 136
GLU A 161
LEU A 349
LEU A 352
GLY A 357
HIS A 358
MET A 363
PHE A 367
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.68A 3g1uA-6aphA:
60.4		 3g1uA-6aphA:
64.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d6j HIT FAMILY HYDROLASE

(Legionella
pneumophila) 		no annotation 5 LEU A  39
HIS A 101
ASP A  29
GLY A  92
PHE A   5
 None
 1.42A 3g1uA-6d6jA:
undetectable		 3g1uA-6d6jA:
13.01
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.
6dk2 -

(-) 		no annotation 5 LEU A 405
LEU A  97
LEU A 135
GLY A 133
PHE A 205
 None
 1.35A 3g1uA-6dk2A:
undetectable		 3g1uA-6dk2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 10 HIS B  61
THR B  63
ASP B 139
GLU B 164
ASN B 199
LEU B 373
LEU B 376
GLY B 381
HIS B 382
PHE B 391
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
NAD  B 501 (-3.5A)
NAD  B 501 ( 3.9A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-4.9A)
 0.79A 3g1uA-6f3mB:
54.7		 3g1uA-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 10 HIS B  61
THR B  63
ASP B 139
GLU B 164
LEU B 373
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
NAD  B 501 ( 3.9A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.62A 3g1uA-6f3mB:
54.7		 3g1uA-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1

(Homo sapiens) 		no annotation 5 LEU A 210
GLU A 206
LEU A 284
LEU A 279
HIS A 286
 None
EAQ  A 501 (-3.4A)
None
None
None
 1.25A 3g1uA-6fyoA:
undetectable		 3g1uA-6fyoA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 8 LEU A  55
HIS A  56
ASP A 134
GLU A 159
ASN A 194
LEU A 347
LEU A 350
PHE A 365
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
NAD  A 502 (-3.5A)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
None
 0.85A 3g1uA-6gbnA:
59.9		 3g1uA-6gbnA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbn -

(-) 		no annotation 11 LEU A  55
HIS A  56
THR A  58
ASP A 134
GLU A 159
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.59A 3g1uA-6gbnA:
59.9		 3g1uA-6gbnA:
undetectable