SIMILAR PATTERNS OF AMINO ACIDS FOR 4MMC_A_29JA603_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.
1c0i D-AMINO ACID OXIDASE

(Rhodotorula
toruloides) 		PF01266
(DAO) 		5 VAL A1294
GLY A1337
PHE A1333
GLY A1291
ASP A1347
 None
FAD  A1363 (-3.1A)
None
None
None
 1.42A 4mmcA-1c0iA:
0.0		 4mmcA-1c0iA:
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.
1e4y ADENYLATE KINASE

(Escherichia
coli) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 ASP A  33
GLY A  14
SER A  30
GLY A  85
ASP A 159
 None
AP5  A 215 (-3.4A)
None
AP5  A 215 (-4.4A)
None
 1.20A 4mmcA-1e4yA:
undetectable		 4mmcA-1e4yA:
16.25
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.
1fi8 ECOTIN
NATURAL KILLER CELL
PROTEASE 1

(Escherichia
coli;
Rattus
norvegicus) 		PF00089
(Trypsin)
PF03974
(Ecotin) 		5 ASP C  84
VAL A 138
GLY A 142
SER A 195
GLY A 197
 None
 1.04A 4mmcA-1fi8C:
undetectable		 4mmcA-1fi8C:
10.60
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.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		5 ASP A 120
TYR A  56
GLY A 140
PHE A 129
SER A  52
 None
 1.28A 4mmcA-1itxA:
0.0		 4mmcA-1itxA:
22.82
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.
1jsd HAEMAGGLUTININ (HA1
CHAIN)
HAEMAGGLUTININ (HA2
CHAIN)

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 VAL B 115
TYR A   7
GLY B 136
GLY B  23
ASP B 112
 None
 1.26A 4mmcA-1jsdB:
1.5		 4mmcA-1jsdB:
16.39
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.
1m1j FIBRINOGEN ALPHA
SUBUNIT
FIBRINOGEN BETA
CHAIN

(Gallus gallus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 TYR B 421
GLY B 263
SER B 450
GLY B 423
ASP A 154
 None
 1.32A 4mmcA-1m1jB:
undetectable		 4mmcA-1m1jB:
19.68
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.
1snn 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Methanocaldococcus
jannaschii) 		PF00926
(DHBP_synthase) 		5 ASP A  23
TYR A 210
TYR A  20
SER A  22
GLY A 213
 None
 1.36A 4mmcA-1snnA:
0.0		 4mmcA-1snnA:
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.
1tuh HYPOTHETICAL PROTEIN
EGC068

(uncultured
bacterium) 		PF12680
(SnoaL_2) 		5 TYR A  32
VAL A 131
GLY A 103
GLY A  31
ASP A 133
 None
 1.17A 4mmcA-1tuhA:
undetectable		 4mmcA-1tuhA:
14.45
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.
1u9c APC35852

(Geobacillus
stearothermophilus) 		PF01965
(DJ-1_PfpI) 		5 VAL A 192
GLY A 184
PHE A 190
SER A 151
GLY A 200
 None
 1.12A 4mmcA-1u9cA:
0.0		 4mmcA-1u9cA:
18.87
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.
1uky URIDYLATE KINASE

(Saccharomyces
cerevisiae) 		PF00406
(ADK) 		5 ASP A  49
GLY A  30
SER A  46
GLY A 104
ASP A 151
 None
ADP  A 205 (-3.5A)
ADP  A 206 ( 4.6A)
None
None
 1.34A 4mmcA-1ukyA:
0.0		 4mmcA-1ukyA:
16.18
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.
1uwi BETA-GALACTOSIDASE

(Sulfolobus
solfataricus) 		PF00232
(Glyco_hydro_1) 		5 VAL A 409
TYR A 422
GLY A 469
PHE A   4
GLY A 421
 None
 1.32A 4mmcA-1uwiA:
undetectable		 4mmcA-1uwiA:
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.
1y2i HYPOTHETICAL PROTEIN
S0862

(Shigella
flexneri) 		PF01906
(YbjQ_1) 		5 ASP A  81
TYR A  84
PHE A  62
SER A  99
GLY A  23
 None
 1.24A 4mmcA-1y2iA:
undetectable		 4mmcA-1y2iA:
14.51
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.
2a9v GMP SYNTHASE

(Thermoplasma
acidophilum) 		PF00117
(GATase) 		5 ASP A   8
VAL A  65
TYR A  68
SER A  49
GLY A  82
 None
 1.17A 4mmcA-2a9vA:
undetectable		 4mmcA-2a9vA:
16.76
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.
2cdp BETA-AGARASE 1

(Saccharophagus
degradans) 		PF03422
(CBM_6) 		5 TYR A  63
VAL A 108
PHE A  76
SER A  62
GLY A 105
 None
CL  A1144 ( 4.2A)
None
None
EDO  A1141 (-4.0A)
 0.97A 4mmcA-2cdpA:
undetectable		 4mmcA-2cdpA:
14.20
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.
2nlz CEPHALOSPORIN
ACYLASE

(Bacillus
halodurans) 		PF01019
(G_glu_transpept) 		5 TYR A 360
VAL A 451
GLY A 424
PHE A 436
GLY A 512
 None
 1.16A 4mmcA-2nlzA:
0.0		 4mmcA-2nlzA:
22.57
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.
2p8e PPM1B BETA ISOFORM
VARIANT 6

(Homo sapiens) 		PF00481
(PP2C) 		5 VAL A  58
TYR A  59
GLY A 150
GLY A 136
ASP A  38
 None
None
None
None
OCS  A 242 ( 2.7A)
 1.43A 4mmcA-2p8eA:
undetectable		 4mmcA-2p8eA:
19.04
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.
2vpj KELCH-LIKE PROTEIN
12

(Homo sapiens) 		PF01344
(Kelch_1) 		5 VAL A 513
TYR A 512
GLY A 420
SER A 464
GLY A 480
 None
 1.33A 4mmcA-2vpjA:
undetectable		 4mmcA-2vpjA:
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.
2wrd HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 VAL A 444
TYR A  11
GLY A 465
GLY A 352
ASP A 441
 None
 1.22A 4mmcA-2wrdA:
undetectable		 4mmcA-2wrdA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bvh FIBRINOGEN ALPHA
CHAIN
FIBRINOGEN BETA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 TYR B 417
GLY B 258
SER B 446
GLY B 419
ASP A 153
 None
 1.42A 4mmcA-3bvhB:
undetectable		 4mmcA-3bvhB:
20.04
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.
3ec2 DNA REPLICATION
PROTEIN DNAC

(Aquifex
aeolicus) 		PF01695
(IstB_IS21) 		5 ASP A 198
TYR A 212
GLY A 151
SER A 201
GLY A 204
 None
 1.22A 4mmcA-3ec2A:
undetectable		 4mmcA-3ec2A:
16.38
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.
3ec2 DNA REPLICATION
PROTEIN DNAC

(Aquifex
aeolicus) 		PF01695
(IstB_IS21) 		5 ASP A 198
VAL A 208
TYR A 212
GLY A 151
SER A 201
 None
 1.49A 4mmcA-3ec2A:
undetectable		 4mmcA-3ec2A:
16.38
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.
3f8r THIOREDOXIN
REDUCTASE (TRXB-3)

(Sulfolobus
solfataricus) 		PF07992
(Pyr_redox_2) 		5 ASP A 164
VAL A 199
TYR A 195
GLY A 162
GLY A 169
 NAP  A4001 (-4.2A)
None
NAP  A4001 (-4.5A)
NAP  A4001 ( 4.6A)
None
 1.29A 4mmcA-3f8rA:
undetectable		 4mmcA-3f8rA:
19.85
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.
3fmx TARTRATE
DEHYDROGENASE/DECARB
OXYLASE

(Pseudomonas
putida) 		PF00180
(Iso_dh) 		5 ASP X  86
TYR X 141
SER X  89
GLY X  92
ASP X 250
 NAI  X 401 (-2.7A)
None
None
None
NAI  X 401 ( 4.5A)
 1.44A 4mmcA-3fmxX:
undetectable		 4mmcA-3fmxX:
22.26
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.
3fys PROTEIN DEGV

(Bacillus
subtilis) 		PF02645
(DegV) 		5 ASP A 218
VAL A 254
TYR A 251
SER A 222
GLY A 224
 None
 1.35A 4mmcA-3fysA:
undetectable		 4mmcA-3fysA:
21.82
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.
3hgq HDA1 COMPLEX SUBUNIT
3

(Saccharomyces
cerevisiae) 		PF11496
(HDA2-3) 		5 ASP A 245
VAL A 266
TYR A 262
GLY A  81
SER A 243
 None
 1.32A 4mmcA-3hgqA:
1.6		 4mmcA-3hgqA:
21.78
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.
3hly FLAVODOXIN-LIKE
DOMAIN

(Synechococcus
elongatus) 		no annotation 5 ASP A 275
TYR A 267
GLY A 272
SER A 278
GLY A 318
 None
 1.37A 4mmcA-3hlyA:
undetectable		 4mmcA-3hlyA:
15.26
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.
3jcm U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ASP B 425
VAL B 375
GLY B 407
SER B 423
ASP B 377
 None
 1.16A 4mmcA-3jcmB:
undetectable		 4mmcA-3jcmB:
21.26
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.
3jur EXO-POLY-ALPHA-D-GAL
ACTURONOSIDASE

(Thermotoga
maritima) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		5 ASP A 270
TYR A 362
GLY A 107
SER A 306
ASP A 363
 None
 1.46A 4mmcA-3jurA:
undetectable		 4mmcA-3jurA:
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 VAL A 597
TYR A 623
GLY A 570
SER A 582
GLY A 585
 None
 1.40A 4mmcA-3lppA:
undetectable		 4mmcA-3lppA:
19.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		6 VAL A 104
TYR A 107
TYR A 108
PHE A 259
SER A 355
ASP A 404
 None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-3.6A)
NA  A 751 ( 2.3A)
None
 0.33A 4mmcA-3mpnA:
61.6		 4mmcA-3mpnA:
98.62
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.
3qlb ENANTIO-PYOCHELIN
RECEPTOR

(Pseudomonas
fluorescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASP A 341
TYR A 415
GLY A 110
PHE A 141
GLY A 142
 None
 1.32A 4mmcA-3qlbA:
undetectable		 4mmcA-3qlbA:
20.75
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.
3tlx ADENYLATE KINASE 2

(Plasmodium
falciparum) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 ASP A  61
GLY A  42
SER A  58
GLY A 113
ASP A 191
 None
ADP  A 246 (-3.5A)
AMP  A 245 ( 4.9A)
AMP  A 245 (-4.1A)
None
 1.18A 4mmcA-3tlxA:
undetectable		 4mmcA-3tlxA:
17.92
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ASP A  63
VAL A  72
GLY A  29
GLY A  69
ASP A  74
 EDO  A 467 (-3.8A)
None
None
None
None
 1.16A 4mmcA-3uw2A:
undetectable		 4mmcA-3uw2A:
21.85
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ASP A  63
VAL A  72
GLY A  29
GLY A 149
ASP A  74
 EDO  A 467 (-3.8A)
None
None
None
None
 1.41A 4mmcA-3uw2A:
undetectable		 4mmcA-3uw2A:
21.85
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.
3vqr PUTATIVE
OXIDOREDUCTASE

(Aeropyrum
pernix) 		PF01266
(DAO) 		5 ASP A  34
VAL A  13
GLY A 231
SER A  41
GLY A  45
 FAD  A1001 (-2.6A)
FAD  A1001 (-4.6A)
ACT  A1002 (-3.3A)
FAD  A1001 ( 3.8A)
None
 1.45A 4mmcA-3vqrA:
undetectable		 4mmcA-3vqrA:
24.11
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.
3w3e COTYLEDONEOUS
YIELDIN-LIKE PROTEIN

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		5 ASP A 213
TYR A 221
TYR A  81
GLY A  71
GLY A  79
 None
 1.28A 4mmcA-3w3eA:
undetectable		 4mmcA-3w3eA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wo8 BETA-N-ACETYLGLUCOSA
MINIDASE

(Thermotoga
maritima) 		PF00933
(Glyco_hydro_3) 		5 TYR A  95
VAL A 111
GLY A  66
SER A  96
GLY A 100
 None
 1.04A 4mmcA-3wo8A:
undetectable		 4mmcA-3wo8A:
22.84
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.
4exl PHOSPHATE-BINDING
PROTEIN PSTS 1

(Streptococcus
pneumoniae) 		PF12849
(PBP_like_2) 		5 ASP A  86
GLY A  69
SER A  38
GLY A  65
ASP A 181
 None
 1.45A 4mmcA-4exlA:
undetectable		 4mmcA-4exlA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hjl NAPHTHALENE
1,2-DIOXYGENASE
SUBUNIT ALPHA

(Pseudomonas sp.
C18) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 ASP A 361
VAL A 260
GLY A 356
SER A 216
GLY A 220
 None
 1.41A 4mmcA-4hjlA:
undetectable		 4mmcA-4hjlA:
19.92
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.
4l5i TRANSCRIPTIONAL
REGULATOR LSRR

(Escherichia
coli) 		PF04198
(Sugar-bind) 		5 TYR A 156
TYR A 226
GLY A 123
SER A 155
ASP A 243
 None
 1.35A 4mmcA-4l5iA:
undetectable		 4mmcA-4l5iA:
21.14
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.
4m9d ADENYLOSUCCINATE
SYNTHETASE

(Bacillus
anthracis) 		PF00709
(Adenylsucc_synt) 		5 TYR A 268
ASP A  13
GLY A 293
SER A 270
GLY A 307
 None
EDO  A 503 ( 3.3A)
None
None
None
 1.35A 4mmcA-4m9dA:
undetectable		 4mmcA-4m9dA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx7 CLASS I CHITINASE

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		5 ASP A 258
TYR A 266
TYR A 125
GLY A 115
GLY A 123
 None
 1.24A 4mmcA-4tx7A:
undetectable		 4mmcA-4tx7A:
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.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		5 ASP A  46
GLY A 322
PHE A 325
SER A 421
GLY A 425
 41U  A 605 ( 3.3A)
41U  A 605 ( 4.1A)
41U  A 605 ( 4.7A)
NA  A 602 ( 2.4A)
41U  A 605 ( 3.7A)
 0.64A 4mmcA-4xnuA:
40.8		 4mmcA-4xnuA:
29.56
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.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		7 ASP A  46
VAL A 120
TYR A 123
TYR A 124
GLY A 322
SER A 421
GLY A 425
 41U  A 605 ( 3.3A)
41U  A 605 (-4.2A)
None
41U  A 605 ( 3.8A)
41U  A 605 ( 4.1A)
NA  A 602 ( 2.4A)
41U  A 605 ( 3.7A)
 0.55A 4mmcA-4xnuA:
40.8		 4mmcA-4xnuA:
29.56
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.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		7 ASP A  46
VAL A 120
TYR A 123
TYR A 124
SER A 421
GLY A 425
ASP A 475
 41U  A 605 ( 3.3A)
41U  A 605 (-4.2A)
None
41U  A 605 ( 3.8A)
NA  A 602 ( 2.4A)
41U  A 605 ( 3.7A)
None
 0.70A 4mmcA-4xnuA:
40.8		 4mmcA-4xnuA:
29.56
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.
4yy1 HA2

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 VAL B 444
TYR B 351
GLY B 342
GLY B 352
ASP B 441
 None
 1.42A 4mmcA-4yy1B:
2.0		 4mmcA-4yy1B:
16.77
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.
5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 VAL A 145
TYR A 155
PHE A 110
SER A 148
GLY A  97
 None
 1.35A 4mmcA-5clwA:
undetectable		 4mmcA-5clwA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dud YBGK

(Escherichia
coli) 		PF02626
(CT_A_B) 		5 ASP A  15
GLY A 126
SER A 129
GLY A 137
ASP A 120
 None
 1.10A 4mmcA-5dudA:
undetectable		 4mmcA-5dudA:
20.92
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.
5dud YBGK

(Escherichia
coli) 		PF02626
(CT_A_B) 		5 ASP A  15
VAL A 121
GLY A 126
SER A 129
GLY A 137
 None
 1.29A 4mmcA-5dudA:
undetectable		 4mmcA-5dudA:
20.92
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ASP A1093
VAL A1163
TYR A1161
SER A1265
GLY A1192
 None
 1.02A 4mmcA-5epgA:
undetectable		 4mmcA-5epgA:
18.12
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.
5f56 SINGLE-STRANDED-DNA-
SPECIFIC EXONUCLEASE

(Deinococcus
radiodurans) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 TYR A  80
GLY A 395
SER A 404
GLY A 370
ASP A  79
 None
None
None
None
MN  A 804 (-3.2A)
 1.23A 4mmcA-5f56A:
undetectable		 4mmcA-5f56A:
20.97
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 VAL A 297
GLY A  74
SER A 373
GLY A 361
ASP A 260
 None
 1.37A 4mmcA-5fp1A:
undetectable		 4mmcA-5fp1A:
22.21
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.
5ham RICKCE

(Rickettsia
bellii) 		no annotation 5 ASP A 624
GLY A 656
PHE A 631
SER A 626
GLY A 629
 None
 1.02A 4mmcA-5hamA:
undetectable		 4mmcA-5hamA:
20.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER

(Homo sapiens) 		PF00209
(SNF) 		7 TYR A  95
ASP A  98
TYR A 175
TYR A 176
GLY A 338
SER A 438
GLY A 442
 None
 0.70A 4mmcA-5i6zA:
42.1		 4mmcA-5i6zA:
31.21
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.
5m49 AMINOTRANSFERASE
CLASS-III

(Rhizobium
freirei) 		PF00202
(Aminotran_3) 		5 ASP A 112
VAL A 264
GLY A 139
SER A 109
GLY A 266
 None
None
PLP  A 501 ( 3.9A)
PLP  A 501 (-3.7A)
None
 1.37A 4mmcA-5m49A:
undetectable		 4mmcA-5m49A:
22.49
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.
5mdx OXYGEN-EVOLVING
ENHANCER PROTEIN
1-1, CHLOROPLASTIC
PHOTOSYSTEM II CP43
REACTION CENTER
PROTEIN

(Arabidopsis
thaliana) 		PF00421
(PSII)
PF01716
(MSP) 		5 TYR O 196
VAL C 328
GLY C 338
GLY O 193
ASP C 321
 None
 1.24A 4mmcA-5mdxO:
undetectable		 4mmcA-5mdxO:
19.47
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.
5mqp GLYCOSIDE HYDROLASE
BT_1002

(Bacteroides
thetaiotaomicron) 		no annotation 5 VAL A 524
TYR A 528
GLY A 464
SER A 492
GLY A 490
 None
 1.31A 4mmcA-5mqpA:
undetectable		 4mmcA-5mqpA:
20.89
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.
5o5c PUTATIVE
DECARBOXYLASE
INVOLVED IN
DESFERRIOXAMINE
BIOSYNTHESIS

(Erwinia
amylovora) 		no annotation 5 VAL A 466
TYR A 104
PHE A 460
SER A  58
GLY A 463
 None
 1.11A 4mmcA-5o5cA:
undetectable		 4mmcA-5o5cA:
9.85
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobacter
sp. CaT2;
Methanothermobacter
wolfeii) 		PF00384
(Molybdopterin)
PF01493
(GXGXG) 		5 TYR B 207
ASP B 267
TYR C 135
GLY C 202
GLY B 261
 None
 1.45A 4mmcA-5t5iB:
undetectable		 4mmcA-5t5iB:
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.
5uc0 UNCHARACTERIZED
PROTEIN COG5400

(Brucella
abortus) 		PF06577
(DUF1134) 		5 TYR A 132
VAL A  46
TYR A  41
GLY A  73
PHE A  69
 None
 1.39A 4mmcA-5uc0A:
undetectable		 4mmcA-5uc0A:
14.84
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.
5ujz HEMAGGLUTININ HA1
HEMAGGLUTININ HA2

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 VAL B 615
TYR A  11
GLY B 636
GLY B 523
ASP B 612
 None
 1.30A 4mmcA-5ujzB:
1.8		 4mmcA-5ujzB:
14.37
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.
5x2o TASTE RECEPTOR, TYPE
1, MEMBER 3

(Oryzias latipes) 		PF01094
(ANF_receptor) 		5 TYR B 467
TYR B 449
SER B 300
GLY B 322
ASP B 198
 None
None
ARG  B 951 ( 4.6A)
None
None
 1.47A 4mmcA-5x2oB:
undetectable		 4mmcA-5x2oB:
22.68
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.
5x6s ACETYLXYLAN ESTERASE
A

(Aspergillus
awamori) 		PF10503
(Esterase_phd) 		5 VAL A  64
TYR A  66
TYR A  22
GLY A  61
PHE A  62
 None
 1.46A 4mmcA-5x6sA:
undetectable		 4mmcA-5x6sA:
18.82
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.
5x89 ENDA-LIKE
PROTEIN,TRNA-SPLICIN
G ENDONUCLEASE

(Methanopyrus
kandleri) 		no annotation 5 TYR A 280
ASP A 274
VAL A 177
TYR A 351
GLY A 180
 None
 1.26A 4mmcA-5x89A:
undetectable		 4mmcA-5x89A:
7.90
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.
5xru ADENYLATE KINASE

(Notothenia
coriiceps) 		no annotation 5 ASP A  41
GLY A  22
SER A  38
GLY A  94
ASP A 141
 None
AP5  A 201 (-3.5A)
AP5  A 201 ( 4.8A)
AP5  A 201 (-4.4A)
None
 1.26A 4mmcA-5xruA:
undetectable		 4mmcA-5xruA:
11.55
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.
6b67 PROTEIN PHOSPHATASE
1A

(Homo sapiens) 		no annotation 5 VAL A  58
TYR A  59
GLY A 145
GLY A 131
ASP A  38
 None
 1.42A 4mmcA-6b67A:
undetectable		 4mmcA-6b67A:
10.33
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.
6cv9 SHORT TRANSIENT
RECEPTOR POTENTIAL
CHANNEL 6

(Mus musculus) 		no annotation 5 TYR A 284
VAL A 234
GLY A 278
SER A 281
ASP A 218
 None
 1.33A 4mmcA-6cv9A:
undetectable		 4mmcA-6cv9A:
9.82
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.
6d8w HEMAGGLUTININ

(Influenza A
virus) 		no annotation 5 VAL A 444
TYR A 351
GLY A 342
GLY A 352
ASP A 441
 None
 1.45A 4mmcA-6d8wA:
1.0		 4mmcA-6d8wA:
11.16
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.
6f39 COMPLEMENT C1R
SUBCOMPONENT

(Homo sapiens) 		no annotation 5 ASP A 226
TYR A 197
GLY A 252
PHE A 223
SER A 278
 CA  A 303 (-3.2A)
None
None
None
CA  A 303 ( 3.8A)
 1.04A 4mmcA-6f39A:
undetectable		 4mmcA-6f39A:
9.43
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.
6h20 -

(-) 		no annotation 5 ASP A  99
TYR A 276
SER A 106
GLY A 117
ASP A 250
 None
ASN  A 401 ( 4.9A)
None
None
ASN  A 401 (-2.9A)
 1.42A 4mmcA-6h20A:
undetectable		 4mmcA-6h20A:
undetectable