SIMILAR PATTERNS OF AMINO ACIDS FOR 4B9Z_A_ACRA1818_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.
1fvp FLAVOPROTEIN 390

(Photobacterium
phosphoreum) 		no annotation 5 ILE A 168
ASP A  97
ASP A  48
PHE A   9
HIS A 131
 None
 1.45A 4b9zA-1fvpA:
undetectable		 4b9zA-1fvpA:
14.91
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.
1m53 ISOMALTULOSE
SYNTHASE

(Klebsiella sp.
LX3) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASP A 241
ASP A 369
GLU A 428
ARG A 456
ASP A 102
 None
 1.46A 4b9zA-1m53A:
15.8		 4b9zA-1m53A:
21.89
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.
1o8b RIBOSE 5-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF06026
(Rib_5-P_isom_A) 		5 ASP A 170
ILE A 168
LEU A 100
ASP A  84
PHE A 129
 None
None
None
ABF  A1269 (-2.6A)
None
 1.39A 4b9zA-1o8bA:
undetectable		 4b9zA-1o8bA:
13.83
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.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 TYR A 209
LEU A 225
ILE A 227
LEU A 241
PHE A  97
 None
 1.49A 4b9zA-1qhoA:
3.1		 4b9zA-1qhoA:
21.97
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.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		5 TYR A  37
ASP A 167
ASP A  85
PHE A  24
HIS A  25
 None
FEO  A 501 ( 2.4A)
FEO  A 501 ( 2.4A)
EDO  A 602 (-3.8A)
EDO  A 602 ( 2.9A)
 1.32A 4b9zA-1ycgA:
undetectable		 4b9zA-1ycgA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A 212
ILE A 213
ASP A 416
PHE A 449
HIS A 480
 None
None
BOG  A2000 (-3.0A)
None
None
 1.35A 4b9zA-2g3nA:
39.9		 4b9zA-2g3nA:
25.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		7 ASP A 212
ILE A 249
ASP A 320
ARG A 400
ASP A 416
PHE A 449
HIS A 480
 None
None
None
BOG  A2000 (-3.1A)
BOG  A2000 (-3.0A)
None
None
 0.25A 4b9zA-2g3nA:
39.9		 4b9zA-2g3nA:
25.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gai DNA TOPOISOMERASE I

(Thermotoga
maritima) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 LEU A 532
LEU A 518
GLU A 515
ARG A 140
ASP A 144
 None
 1.48A 4b9zA-2gaiA:
undetectable		 4b9zA-2gaiA:
21.67
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.
2hro PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Staphylococcus
carnosus) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 LEU A 517
ILE A 513
LEU A 272
GLU A 291
ARG A 535
 None
 1.44A 4b9zA-2hroA:
7.5		 4b9zA-2hroA:
23.20
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.
2o4c ERYTHRONATE-4-PHOSPH
ATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
PF11890
(DUF3410) 		5 LEU A 173
ILE A 171
LEU A 161
ARG A 193
ASP A 190
 None
 1.44A 4b9zA-2o4cA:
undetectable		 4b9zA-2o4cA:
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.
2qqp LARGE CAPSID PROTEIN

(Providence
virus) 		PF03566
(Peptidase_A21) 		5 LEU A 408
ASP A 482
GLU A 216
ARG A 154
PHE A 227
 None
 1.31A 4b9zA-2qqpA:
undetectable		 4b9zA-2qqpA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A   6
ILE A   3
LEU A  54
GLU A  57
ARG A  19
 None
 1.37A 4b9zA-2va8A:
undetectable		 4b9zA-2va8A:
22.93
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		6 ASP A 412
ASP A 553
ARG A 649
ASP A 665
PHE A 698
HIS A 731
 QPS  A1050 (-3.2A)
QPS  A1050 (-3.1A)
QPS  A1050 (-3.2A)
QPS  A1050 (-2.7A)
QPS  A1050 (-4.3A)
QPS  A1050 (-4.3A)
 0.37A 4b9zA-2x2iA:
32.4		 4b9zA-2x2iA:
23.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aam ENDONUCLEASE IV

(Thermus
thermophilus) 		PF01261
(AP_endonuc_2) 		5 ILE A 246
LEU A   8
GLU A  22
ARG A 251
ASP A 256
 None
 1.16A 4b9zA-3aamA:
7.0		 4b9zA-3aamA:
16.07
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.
3buu UNCHARACTERIZED LOLA
SUPERFAMILY PROTEIN
NE2245

(Nitrosomonas
europaea) 		PF17131
(LolA_like) 		5 ASP A 167
ILE A 166
ASP A 142
GLU A  82
ARG A 136
 None
 1.43A 4b9zA-3buuA:
undetectable		 4b9zA-3buuA:
15.04
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ASP A 327
ILE A 328
ASP A 542
PHE A 575
HIS A 600
 3CU  A1001 (-2.7A)
3CU  A1001 ( 3.9A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 1.34A 4b9zA-3cttA:
36.9		 4b9zA-3cttA:
26.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		7 ASP A 327
ILE A 364
ASP A 443
ARG A 526
ASP A 542
PHE A 575
HIS A 600
 3CU  A1001 (-2.7A)
3CU  A1001 (-4.5A)
3CU  A1001 (-2.7A)
3CU  A1001 ( 3.5A)
3CU  A1001 ( 2.5A)
3CU  A1001 (-4.5A)
3CU  A1001 (-3.9A)
 0.37A 4b9zA-3cttA:
36.9		 4b9zA-3cttA:
26.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3enq RIBOSE-5-PHOSPHATE
ISOMERASE A

(Vibrio
vulnificus) 		PF06026
(Rib_5-P_isom_A) 		5 ASP A 170
ILE A 168
LEU A 100
ASP A  84
PHE A 129
 None
 1.48A 4b9zA-3enqA:
undetectable		 4b9zA-3enqA:
14.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fid PUTATIVE OUTER
MEMBRANE PROTEIN
(LPXR)

(Salmonella
enterica) 		PF09982
(DUF2219) 		5 TYR A  33
ILE A 137
LEU A 234
GLU A 278
ARG A  77
 None
None
None
GOL  A 302 (-2.7A)
GOL  A 302 (-3.1A)
 1.22A 4b9zA-3fidA:
undetectable		 4b9zA-3fidA:
16.29
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.
3fnr ARGINYL-TRNA
SYNTHETASE

(Campylobacter
jejuni) 		PF00750
(tRNA-synt_1d)
PF05746
(DALR_1) 		5 LEU A 341
LEU A 107
GLU A 147
ARG A 307
ASP A 303
 None
 1.32A 4b9zA-3fnrA:
undetectable		 4b9zA-3fnrA:
20.58
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.
3grf ORNITHINE
CARBAMOYLTRANSFERASE

(Giardia
intestinalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ILE A 125
TYR A  22
GLU A  19
ARG A   7
ASP A 323
 None
 1.19A 4b9zA-3grfA:
undetectable		 4b9zA-3grfA:
18.32
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.
3grf ORNITHINE
CARBAMOYLTRANSFERASE

(Giardia
intestinalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 TYR A  22
LEU A  15
GLU A  19
ARG A   7
ASP A 323
 None
 1.18A 4b9zA-3grfA:
undetectable		 4b9zA-3grfA:
18.32
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.
3gyr PHENOXAZINONE
SYNTHASE

(Streptomyces
antibioticus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 421
LEU A 232
GLU A 227
ARG A 305
ASP A 367
 None
 1.47A 4b9zA-3gyrA:
undetectable		 4b9zA-3gyrA:
21.88
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3
DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC5

(Schizosaccharomyces
pombe) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF01194
(RNA_pol_N) 		5 ASP J  54
ILE J  56
TYR C 118
ARG C  65
HIS J  52
 None
 1.24A 4b9zA-3h0gJ:
undetectable		 4b9zA-3h0gJ:
6.03
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.
3hdx SUSD SUPERFAMILY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ASP A 399
LEU A 403
GLU A 406
ARG A 454
ASP A 467
 None
 1.46A 4b9zA-3hdxA:
undetectable		 4b9zA-3hdxA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ixq RIBOSE-5-PHOSPHATE
ISOMERASE A

(Methanocaldococcus
jannaschii) 		PF06026
(Rib_5-P_isom_A) 		5 ASP A 180
ILE A 178
GLU A 106
ASP A  86
PHE A 133
 None
None
CL  A 231 ( 3.0A)
PGO  A 233 (-3.4A)
None
 1.42A 4b9zA-3ixqA:
undetectable		 4b9zA-3ixqA:
15.18
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.
3k1z HALOACID
DEHALOGENASE-LIKE
HYDROLASE
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF13419
(HAD_2) 		5 TYR A  63
TYR A  53
ARG A 140
ASP A 138
PHE A 137
 None
None
GOL  A   3 (-3.1A)
None
None
 1.49A 4b9zA-3k1zA:
undetectable		 4b9zA-3k1zA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzg ARGININE 3RD
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN

(Legionella
pneumophila) 		PF00497
(SBP_bac_3) 		5 TYR A 241
ILE A 211
LEU A 228
GLU A 232
PHE A  45
 None
 1.38A 4b9zA-3kzgA:
undetectable		 4b9zA-3kzgA:
14.55
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.
3l4g PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN
PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Homo sapiens) 		PF01409
(tRNA-synt_2d)
PF03483
(B3_4)
PF03484
(B5) 		5 TYR A 409
LEU B  75
ILE B 269
ASP B  73
ARG B 355
 None
 1.39A 4b9zA-3l4gA:
undetectable		 4b9zA-3l4gA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lm3 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12979
(DUF3863)
PF12980
(DUF3864) 		5 ASP A 452
ILE A 443
ASP A 414
ARG A 396
ASP A 213
 None
 1.32A 4b9zA-3lm3A:
2.9		 4b9zA-3lm3A:
20.87
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ASP A 355
ILE A 356
ASP A 571
PHE A 604
HIS A 629
 TRS  A6001 (-2.9A)
TRS  A6001 ( 4.0A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 1.40A 4b9zA-3lppA:
38.5		 4b9zA-3lppA:
25.61
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		7 ASP A 355
ILE A 392
ASP A 472
ARG A 555
ASP A 571
PHE A 604
HIS A 629
 TRS  A6001 (-2.9A)
None
TRS  A6001 (-3.2A)
TRS  A6001 ( 4.6A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.4A)
TRS  A6001 (-4.2A)
 0.36A 4b9zA-3lppA:
38.5		 4b9zA-3lppA:
25.61
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		7 ASP A 355
ILE A 392
ASP A 472
GLU A 475
ARG A 555
ASP A 571
HIS A 629
 TRS  A6001 (-2.9A)
None
TRS  A6001 (-3.2A)
None
TRS  A6001 ( 4.6A)
TRS  A6001 ( 3.7A)
TRS  A6001 (-4.2A)
 1.48A 4b9zA-3lppA:
38.5		 4b9zA-3lppA:
25.61
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.
3m4a PUTATIVE TYPE I
TOPOISOMERASE

(Deinococcus
radiodurans) 		PF01028
(Topoisom_I) 		5 LEU A 222
ILE A 217
GLU A 228
ARG A 121
ASP A 112
 None
 1.31A 4b9zA-3m4aA:
undetectable		 4b9zA-3m4aA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o07 PYRIDOXINE
BIOSYNTHESIS PROTEIN
SNZ1

(Saccharomyces
cerevisiae) 		PF01680
(SOR_SNZ) 		5 ASP A  23
LEU A  44
ASP A 101
GLU A 104
ARG A 146
 None
 1.48A 4b9zA-3o07A:
undetectable		 4b9zA-3o07A:
16.05
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		7 ASP A 197
ILE A 234
GLU A 310
ARG A 404
ASP A 420
PHE A 453
HIS A 478
 ACR  A 664 (-2.9A)
None
None
ACR  A 664 (-4.0A)
ACR  A 664 (-2.8A)
ACR  A 664 (-4.4A)
ACR  A 664 (-4.2A)
 1.39A 4b9zA-3pocA:
34.4		 4b9zA-3pocA:
24.86
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ASP A1279
ILE A1280
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
ACR  A   1 (-4.1A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 1.22A 4b9zA-3topA:
34.3		 4b9zA-3topA:
25.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		7 ASP A1279
ILE A1315
ASP A1420
ARG A1510
ASP A1526
PHE A1559
HIS A1584
 ACR  A   1 (-3.2A)
None
ACR  A   1 (-3.6A)
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-4.3A)
ACR  A   1 (-3.9A)
 0.45A 4b9zA-3topA:
34.3		 4b9zA-3topA:
25.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		7 ASP A1279
ILE A1315
ASP A1420
GLU A1423
ARG A1510
ASP A1526
HIS A1584
 ACR  A   1 (-3.2A)
None
ACR  A   1 (-3.6A)
None
ACR  A   1 (-2.9A)
ACR  A   1 (-2.8A)
ACR  A   1 (-3.9A)
 1.36A 4b9zA-3topA:
34.3		 4b9zA-3topA:
25.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ty4 PROBABLE
HOMOISOCITRATE
DEHYDROGENASE

(Schizosaccharomyces
pombe) 		PF00180
(Iso_dh) 		5 LEU A 339
ILE A 352
LEU A 271
ARG A 307
ASP A 330
 None
 1.11A 4b9zA-3ty4A:
undetectable		 4b9zA-3ty4A:
19.58
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.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B

(Bacillus
subtilis) 		PF12705
(PDDEXK_1) 		5 ILE B1063
ASP B1052
LEU B1055
PHE B1032
HIS B 903
 None
 1.29A 4b9zA-3u44B:
undetectable		 4b9zA-3u44B:
22.05
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		5 ASP A 357
ILE A 358
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-3.0A)
ACR  A1001 (-3.6A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 1.30A 4b9zA-3welA:
38.4		 4b9zA-3welA:
25.43
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		7 ASP A 357
ILE A 396
ASP A 469
ARG A 552
ASP A 568
PHE A 601
HIS A 626
 ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.2A)
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.3A)
ACR  A1001 (-4.1A)
 0.28A 4b9zA-3welA:
38.4		 4b9zA-3welA:
25.43
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		7 ASP A 357
ILE A 396
ASP A 469
GLU A 472
ARG A 552
ASP A 568
HIS A 626
 ACR  A1001 (-3.0A)
ACR  A1001 (-4.9A)
ACR  A1001 (-3.2A)
None
ACR  A1001 (-3.0A)
ACR  A1001 (-2.7A)
ACR  A1001 (-4.1A)
 1.50A 4b9zA-3welA:
38.4		 4b9zA-3welA:
25.43
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.
3wkh CELLOBIOSE
2-EPIMERASE

(Rhodothermus
marinus) 		PF07221
(GlcNAc_2-epim) 		5 LEU A 229
ILE A 225
LEU A 268
GLU A 337
ARG A 280
 None
 1.49A 4b9zA-3wkhA:
undetectable		 4b9zA-3wkhA:
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.
3wqy ALANINE--TRNA LIGASE

(Archaeoglobus
fulgidus) 		PF01411
(tRNA-synt_2c)
PF02272
(DHHA1)
PF07973
(tRNA_SAD) 		5 TYR A 509
ASP A 544
ASP A 546
ARG A 593
HIS A 600
 None
 1.22A 4b9zA-3wqyA:
2.2		 4b9zA-3wqyA:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		12 TYR A 179
ASP A 299
LEU A 300
ILE A 341
TYR A 376
ASP A 412
LEU A 413
GLU A 417
ARG A 463
ASP A 480
PHE A 513
HIS A 540
 None
 0.42A 4b9zA-4b9yA:
66.0		 4b9zA-4b9yA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 TYR A 376
ASP A 412
LEU A 413
GLU A 417
PHE A 271
 None
 1.34A 4b9zA-4b9yA:
66.0		 4b9zA-4b9yA:
100.00
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.
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		5 ASP A1893
LEU A1894
LEU A1901
ARG A1900
ASP A1843
 None
 1.13A 4b9zA-4c0dA:
2.7		 4b9zA-4c0dA:
23.25
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.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF00374
(NiFeSe_Hases) 		5 LEU A 224
ILE A 321
LEU A 348
GLU A 229
PHE A 344
 None
None
None
FE2  A1389 ( 4.3A)
None
 1.46A 4b9zA-4ci0A:
undetectable		 4b9zA-4ci0A:
20.96
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.
4fie SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00786
(PBD) 		5 ILE A 446
LEU A 398
GLU A 396
PHE A 459
HIS A 438
 None
ANP  A1001 (-4.6A)
None
None
None
 1.15A 4b9zA-4fieA:
undetectable		 4b9zA-4fieA:
19.62
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.
4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE

(Caenorhabditis
elegans) 		PF00481
(PP2C) 		5 ASP A 283
LEU A 334
ASP A 202
GLU A 176
ASP A 415
 None
None
MG  A 501 ( 2.5A)
None
MG  A 501 (-2.6A)
 1.15A 4b9zA-4jndA:
undetectable		 4b9zA-4jndA:
20.72
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.
4lct COP9 SIGNALOSOME
COMPLEX SUBUNIT 1

(Arabidopsis
thaliana) 		PF01399
(PCI)
PF10602
(RPN7) 		5 TYR A 261
ASP A 329
GLU A 227
PHE A  54
HIS A  58
 None
 1.49A 4b9zA-4lctA:
undetectable		 4b9zA-4lctA:
17.03
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.
4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF15342
(FAM212) 		5 ILE A 446
LEU A 398
GLU A 396
PHE A 459
HIS A 438
 None
ATP  A 601 (-4.3A)
None
None
None
 1.13A 4b9zA-4xbrA:
2.3		 4b9zA-4xbrA:
18.06
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.
5a1n AMINOACYL TRNA
SYNTHASE
COMPLEX-INTERACTING
MULTIFUNCTIONAL
PROTEIN 2
BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00043
(GST_C) 		5 LEU A 119
ILE A  78
ASP A  79
ARG B 215
ASP B 238
 None
 1.47A 4b9zA-5a1nA:
undetectable		 4b9zA-5a1nA:
11.22
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.
5apa ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE

(Homo sapiens) 		PF05118
(Asp_Arg_Hydrox) 		5 ASP A 741
GLU A 617
ARG A 686
ASP A 721
PHE A 719
 None
LMR  A1760 ( 4.7A)
None
None
None
 1.35A 4b9zA-5apaA:
undetectable		 4b9zA-5apaA:
13.29
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.
5cww NUCLEOPORIN NUP159
NUCLEOPORIN NUP82

(Chaetomium
thermophilum) 		no annotation 5 LEU B 441
ILE B 443
LEU B 526
GLU B 523
ARG C1447
 None
 1.44A 4b9zA-5cwwB:
undetectable		 4b9zA-5cwwB:
22.45
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		6 ASP A 443
ILE A 444
ARG A 617
ASP A 633
PHE A 666
HIS A 691
 TRS  A1001 (-2.9A)
TRS  A1001 ( 4.1A)
TRS  A1001 (-4.0A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 1.36A 4b9zA-5dkxA:
36.2		 4b9zA-5dkxA:
25.46
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		7 ASP A 443
ILE A 480
ASP A 556
ARG A 617
ASP A 633
PHE A 666
HIS A 691
 TRS  A1001 (-2.9A)
None
TRS  A1001 (-3.2A)
TRS  A1001 (-4.0A)
TRS  A1001 (-2.8A)
TRS  A1001 (-4.5A)
TRS  A1001 (-4.0A)
 0.36A 4b9zA-5dkxA:
36.2		 4b9zA-5dkxA:
25.46
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ASP A 348
ASP A 460
ARG A 507
ASP A 523
PHE A 556
HIS A 588
 None
 0.49A 4b9zA-5f7cA:
33.5		 4b9zA-5f7cA:
25.14
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.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A 467
GLU A 198
ARG A 516
PHE A 565
HIS A 591
 CA  A 805 (-2.9A)
None
CA  A 805 ( 4.6A)
None
None
 0.93A 4b9zA-5f7sA:
34.3		 4b9zA-5f7sA:
23.33
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.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 TYR A 200
ASP A 467
ARG A 516
ASP A 532
PHE A 565
HIS A 591
 None
CA  A 805 (-2.9A)
CA  A 805 ( 4.6A)
CA  A 805 ( 4.6A)
None
None
 0.67A 4b9zA-5f7sA:
34.3		 4b9zA-5f7sA:
23.33
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.
5f7u CYCLOALTERNAN-FORMIN
G ENZYME

(Listeria
monocytogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF16990
(CBM_35) 		5 TYR A 303
ARG A 614
ASP A 630
PHE A 663
HIS A 689
 GLC  A1116 (-3.9A)
GLC  A1116 (-2.8A)
GLC  A1117 (-2.7A)
GLC  A1116 (-4.6A)
GLC  A1117 (-4.1A)
 0.64A 4b9zA-5f7uA:
38.1		 4b9zA-5f7uA:
23.74
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 ASP A 451
ILE A 452
ASP A 640
PHE A 673
HIS A 698
 5GF  A1021 (-2.0A)
5GF  A1021 (-3.6A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 1.35A 4b9zA-5hjrA:
38.0		 4b9zA-5hjrA:
27.23
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		7 ASP A 451
ILE A 488
ASP A 564
ARG A 624
ASP A 640
PHE A 673
HIS A 698
 5GF  A1021 (-2.0A)
None
5GF  A1021 (-2.1A)
5GF  A1021 (-3.4A)
5GF  A1021 (-2.6A)
5GF  A1021 (-3.6A)
5GF  A1021 (-4.0A)
 0.30A 4b9zA-5hjrA:
38.0		 4b9zA-5hjrA:
27.23
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		7 ASP A 451
ILE A 488
ASP A 564
GLU A 567
ARG A 624
ASP A 640
HIS A 698
 5GF  A1021 (-2.0A)
None
5GF  A1021 (-2.1A)
None
5GF  A1021 (-3.4A)
5GF  A1021 (-2.6A)
5GF  A1021 (-4.0A)
 1.50A 4b9zA-5hjrA:
38.0		 4b9zA-5hjrA:
27.23
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.
5jo7 VETISPIRADIENE
SYNTHASE 1

(Hyoscyamus
muticus) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 TYR A 290
ASP A 239
LEU A 246
GLU A 250
HIS A  85
 None
 1.44A 4b9zA-5jo7A:
undetectable		 4b9zA-5jo7A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 8 ASP A 404
LEU A 405
ILE A 441
ASP A 518
ARG A 600
ASP A 616
PHE A 649
HIS A 674
 ACR  A1015 (-3.0A)
ACR  A1015 (-4.0A)
ACR  A1015 (-4.3A)
ACR  A1015 (-3.1A)
ACR  A1015 (-3.1A)
ACR  A1015 (-2.7A)
ACR  A1015 (-4.3A)
ACR  A1015 (-4.0A)
 0.61A 4b9zA-5nn8A:
37.4		 4b9zA-5nn8A:
26.25
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.
5od2 BIFUNCTIONAL
ADP-SPECIFIC
GLUCOKINASE/PHOSPHOF
RUCTOKINASE

(Methanocaldococcus
jannaschii) 		no annotation 5 LEU A  91
ILE A  61
ASP A  66
ARG A  53
PHE A  45
 None
 1.30A 4b9zA-5od2A:
2.4		 4b9zA-5od2A:
7.51
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.
5x3j GLYCOSIDE HYDROLASE
FAMILY 31

(Kribbella
flavida) 		no annotation 5 TYR A 191
ARG A 500
ASP A 516
PHE A 549
HIS A 575
 GLC  A 819 ( 4.3A)
GLC  A 819 ( 2.9A)
GLC  A 822 ( 2.8A)
GLC  A 822 ( 4.8A)
GLC  A 822 ( 4.0A)
 0.77A 4b9zA-5x3jA:
29.4		 4b9zA-5x3jA:
7.10
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 ASP A 429
ARG A 474
ASP A 491
PHE A 533
HIS A 565
 None
 0.32A 4b9zA-5x7sA:
21.7		 4b9zA-5x7sA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A2277
LEU A2275
ASP A2296
GLU A2129
HIS A2279
 None
 1.20A 4b9zA-6emkA:
undetectable		 4b9zA-6emkA:
6.61
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.
6esd FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA

(Chromobacterium
violaceum) 		no annotation 5 LEU B 187
ILE B 191
TYR B  65
LEU B 402
GLU B 399
 None
 1.33A 4b9zA-6esdB:
undetectable		 4b9zA-6esdB:
7.77
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.
6esd FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA

(Chromobacterium
violaceum) 		no annotation 5 LEU B 187
ILE B 191
TYR B  65
LEU B 402
HIS B  79
 None
 1.49A 4b9zA-6esdB:
undetectable		 4b9zA-6esdB:
7.77
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.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1

(Homo sapiens) 		no annotation 5 ILE A 294
LEU A 244
GLU A 242
PHE A 326
HIS A 286
 None
EAQ  A 501 (-4.3A)
None
None
None
 1.12A 4b9zA-6fyoA:
undetectable		 4b9zA-6fyoA:
undetectable