SIMILAR PATTERNS OF AMINO ACIDS FOR 3P2K_C_SAMC6735_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.
1b4e PROTEIN
(5-AMINOLEVULINIC
ACID DEHYDRATASE)

(Escherichia
coli) 		PF00490
(ALAD) 		4 ASN A  29
ASP A 307
GLU A 264
SER A  27
 None
 1.21A 3p2kC-1b4eA:
undetectable		 3p2kC-1b4eA:
19.33
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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 ASN A 202
ASP A 219
THR A 295
SER A 225
 PLP  A 955 (-4.6A)
None
None
PLP  A 955 ( 3.9A)
 1.01A 3p2kC-1c4kA:
undetectable		 3p2kC-1c4kA:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ccw PROTEIN (GLUTAMATE
MUTASE)

(Clostridium
cochlearium) 		PF06368
(Met_asp_mut_E) 		4 ASN B 212
ASP B 198
THR B 235
SER B 169
 None
 1.40A 3p2kC-1ccwB:
undetectable		 3p2kC-1ccwB:
19.46
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.
1e4e VANCOMYCIN/TEICOPLAN
IN A-TYPE RESISTANCE
PROTEIN VANA

(Enterococcus
faecium) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 ASP B  18
GLU B  60
THR B  44
SER B 177
 None
None
None
PHY  B 355 ( 3.6A)
 1.45A 3p2kC-1e4eB:
undetectable		 3p2kC-1e4eB:
21.15
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.
1f5v OXYGEN-INSENSITIVE
NADPH NITROREDUCTASE

(Escherichia
coli) 		PF00881
(Nitroreductase) 		4 ASN A 206
ASP A 210
THR A 219
SER A 205
 None
 1.12A 3p2kC-1f5vA:
undetectable		 3p2kC-1f5vA:
20.74
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.
1fi4 MEVALONATE
5-DIPHOSPHATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N) 		4 ASP A  42
GLU A 384
THR A 382
SER A 186
 None
 1.35A 3p2kC-1fi4A:
undetectable		 3p2kC-1fi4A:
19.81
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.
1g59 GLUTAMYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00749
(tRNA-synt_1c) 		4 ASN A 238
ASP A 306
GLU A 282
SER A 249
 None
None
A  B 524 ( 3.2A)
None
 1.38A 3p2kC-1g59A:
undetectable		 3p2kC-1g59A:
17.61
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.
1i60 IOLI PROTEIN

(Bacillus
subtilis) 		PF01261
(AP_endonuc_2) 		4 ASN A  15
ASP A  37
GLU A  85
SER A  14
 None
 1.08A 3p2kC-1i60A:
undetectable		 3p2kC-1i60A:
25.51
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.
1lam LEUCINE
AMINOPEPTIDASE

(Bos taurus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 ASN A 312
ASP A 255
THR A 361
SER A 218
 None
ZN  A 488 (-2.5A)
None
None
 1.47A 3p2kC-1lamA:
undetectable		 3p2kC-1lamA:
17.45
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.
1n61 CARBON MONOXIDE
DEHYDROGENASE MEDIUM
CHAIN

(Oligotropha
carboxidovorans) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 ASN C 118
ASP C 124
THR C 195
SER C  36
 FAD  C3932 (-4.1A)
FAD  C3932 (-3.8A)
None
FAD  C3932 (-2.6A)
 1.13A 3p2kC-1n61C:
undetectable		 3p2kC-1n61C:
20.77
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.
1o9j ALDEHYDE
DEHYDROGENASE,
CYTOSOLIC 1

(Elephantulus
edwardii) 		PF00171
(Aldedh) 		4 ASN A 261
GLU A 476
THR A 244
SER A 260
 None
None
NAD  A1501 (-4.1A)
None
 1.34A 3p2kC-1o9jA:
4.6		 3p2kC-1o9jA:
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.
1oj4 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Escherichia
coli) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 ASN A 110
ASP A 141
THR A 240
SER A   7
 ANP  A1285 (-3.7A)
CDM  A1284 (-2.9A)
CDM  A1284 ( 4.8A)
None
 1.46A 3p2kC-1oj4A:
undetectable		 3p2kC-1oj4A:
23.57
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.
1rtr GERANYLTRANSTRANSFER
ASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		4 ASN A  99
ASP A  90
GLU A 161
SER A  37
 None
 1.13A 3p2kC-1rtrA:
undetectable		 3p2kC-1rtrA:
25.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uf2 CORE PROTEIN P3

(Rice dwarf
virus) 		PF09231
(RDV-p3) 		4 ASP A 946
GLU A 851
THR A 863
SER A  82
 None
 1.14A 3p2kC-1uf2A:
undetectable		 3p2kC-1uf2A:
12.06
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.
1v72 ALDOLASE

(Pseudomonas
putida) 		PF01212
(Beta_elim_lyase) 		4 ASN A  16
ASP A  97
GLU A 103
SER A  14
 None
 1.50A 3p2kC-1v72A:
undetectable		 3p2kC-1v72A:
23.32
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.
1w55 ISPD/ISPF
BIFUNCTIONAL ENZYME

(Campylobacter
jejuni) 		PF01128
(IspD)
PF02542
(YgbB) 		4 ASN A  40
ASP A  31
GLU A 209
SER A  43
 None
 1.49A 3p2kC-1w55A:
2.1		 3p2kC-1w55A:
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.
1y8p [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 3
DIHYDROLIPOYLLYSINE-
RESIDUE
ACETYLTRANSFERASE
COMPONENT OF
PYRUVATE
DEHYDROGENASE
COMPLEX

(Homo sapiens;
Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3)
PF00364
(Biotin_lipoyl) 		4 ASN A 157
GLU B 168
THR B 175
SER A 160
 None
 1.38A 3p2kC-1y8pA:
undetectable		 3p2kC-1y8pA:
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.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3

(Thermoplasma
acidophilum) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 ASN A 136
ASP A 154
THR A  24
SER A 135
 None
 1.19A 3p2kC-1z1wA:
undetectable		 3p2kC-1z1wA:
16.15
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.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3

(Thermoplasma
acidophilum) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 ASN A 136
ASP A 154
THR A  26
SER A 135
 None
 0.95A 3p2kC-1z1wA:
undetectable		 3p2kC-1z1wA:
16.15
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.
2dfs MYOSIN-5A

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ) 		4 ASN A 200
GLU A 121
THR A 182
SER A 199
 None
 0.99A 3p2kC-2dfsA:
undetectable		 3p2kC-2dfsA:
12.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2epk N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
gordonii) 		PF00728
(Glyco_hydro_20) 		4 ASN X 496
ASP X 464
THR X 610
SER X 471
 None
 1.47A 3p2kC-2epkX:
undetectable		 3p2kC-2epkX:
17.20
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.
2f6a COLLAGEN ADHESIN

(Staphylococcus
aureus) 		PF05737
(Collagen_bind) 		4 ASN A 193
ASP A 179
GLU A  86
SER A 276
 None
 1.43A 3p2kC-2f6aA:
undetectable		 3p2kC-2f6aA:
21.57
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.
2oej 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Geobacillus
kaustophilus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ASN A 357
ASP A 175
THR A 215
SER A 335
 None
 1.20A 3p2kC-2oejA:
undetectable		 3p2kC-2oejA:
19.90
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.
2ols PHOSPHOENOLPYRUVATE
SYNTHASE

(Neisseria
meningitidis) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		4 ASN A 685
ASP A 705
GLU A 587
SER A 684
 None
 1.25A 3p2kC-2olsA:
undetectable		 3p2kC-2olsA:
15.45
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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		4 ASN A 512
ASP A 246
GLU A 603
SER A 508
 None
ZN  A1639 (-2.7A)
None
None
 1.45A 3p2kC-2xr1A:
undetectable		 3p2kC-2xr1A:
17.11
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 ASN A 134
ASP A 183
GLU A 217
THR A 321
 None
ZN  A 700 (-2.4A)
None
SO4  A 801 (-3.2A)
 1.50A 3p2kC-2yheA:
undetectable		 3p2kC-2yheA:
16.44
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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		4 ASN A 911
ASP A 878
GLU A 694
SER A 910
 None
 1.36A 3p2kC-2yocA:
undetectable		 3p2kC-2yocA:
11.69
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.
2zvi 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Bacillus
subtilis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ASN A 359
ASP A 178
THR A 218
SER A 337
 None
 1.29A 3p2kC-2zviA:
undetectable		 3p2kC-2zviA:
19.06
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		4 ASN A 194
ASP A 593
THR A 625
SER A 162
 None
 1.27A 3p2kC-3abzA:
undetectable		 3p2kC-3abzA:
15.13
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.
3bdb NOVEL IMMUNE-TYPE
RECEPTOR 11

(Ictalurus
punctatus) 		PF07686
(V-set) 		4 ASN A  79
ASP A  87
GLU A 112
SER A  68
 None
 1.33A 3p2kC-3bdbA:
undetectable		 3p2kC-3bdbA:
18.80
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.
3ehm SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		4 ASN A  67
ASP A  54
GLU A 449
THR A 452
 None
 1.40A 3p2kC-3ehmA:
undetectable		 3p2kC-3ehmA:
17.93
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.
3fxg RHAMNONATE
DEHYDRATASE

(Fusarium
graminearum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 297
GLU A 247
THR A 168
SER A  65
 None
MG  A 501 (-3.2A)
None
None
 1.29A 3p2kC-3fxgA:
undetectable		 3p2kC-3fxgA:
21.12
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.
3kmi PUTATIVE MEMBRANE
PROTEIN COG4129

(Clostridioides
difficile) 		PF11728
(ArAE_1_C) 		4 ASP A 167
GLU A 160
THR A 187
SER A 236
 None
 1.42A 3p2kC-3kmiA:
undetectable		 3p2kC-3kmiA:
21.95
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.
3krc GERANYL DIPHOSPHATE
SYNTHASE LARGE
SUBUNIT

(Mentha x
piperita) 		PF00348
(polyprenyl_synt) 		4 ASN A 100
ASP A  91
GLU A 163
SER A  38
 None
 1.41A 3p2kC-3krcA:
undetectable		 3p2kC-3krcA:
21.75
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.
3mql FIBRONECTIN 1

(Homo sapiens) 		PF00039
(fn1)
PF00040
(fn2) 		4 ASN A 354
GLU A 467
THR A 370
SER A 355
 None
 1.47A 3p2kC-3mqlA:
undetectable		 3p2kC-3mqlA:
21.51
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.
3p8l GERANYLTRANSTRANSFER
ASE

(Enterococcus
faecalis) 		PF00348
(polyprenyl_synt) 		4 ASN A  99
ASP A  90
GLU A 160
SER A  36
 None
 1.21A 3p2kC-3p8lA:
undetectable		 3p2kC-3p8lA:
20.66
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.
3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN

(Leishmania
infantum) 		PF00857
(Isochorismatase) 		4 ASP A  73
GLU A 131
THR A 120
SER A  43
 ZN  A 301 ( 2.5A)
None
None
None
 1.45A 3p2kC-3r2jA:
undetectable		 3p2kC-3r2jA:
23.41
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		4 ASN A 740
ASP A 743
THR A 746
SER A 791
 None
 1.46A 3p2kC-3szeA:
undetectable		 3p2kC-3szeA:
13.00
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.
3t6q CD180 ANTIGEN

(Mus musculus) 		PF13855
(LRR_8) 		4 ASN A 451
ASP A 526
GLU A 600
SER A 453
 NAG  A 901 (-2.4A)
None
None
None
 1.00A 3p2kC-3t6qA:
undetectable		 3p2kC-3t6qA:
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.
3vkw REPLICASE LARGE
SUBUNIT

(Tobacco mosaic
virus) 		PF01443
(Viral_helicase1) 		4 ASN A 941
ASP A 711
GLU A 820
THR A 698
 None
 1.18A 3p2kC-3vkwA:
undetectable		 3p2kC-3vkwA:
20.18
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 ASN A 590
ASP A 532
GLU A 543
SER A 585
 None
 1.48A 3p2kC-3wdjA:
undetectable		 3p2kC-3wdjA:
14.67
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.
4d1t METALLO-B-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 ASN A 200
ASP A  84
THR A 136
SER A 197
 None
 1.39A 3p2kC-4d1tA:
undetectable		 3p2kC-4d1tA:
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		4 ASN A 290
GLU A 126
THR A  84
SER A 295
 None
 1.46A 3p2kC-4dzhA:
undetectable		 3p2kC-4dzhA:
19.27
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.
4esw PYRIMIDINE
BIOSYNTHESIS ENZYME
THI13

(Candida
albicans) 		PF09084
(NMT1) 		4 ASN A  44
GLU A 151
THR A 153
SER A  46
 None
 1.36A 3p2kC-4eswA:
undetectable		 3p2kC-4eswA:
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.
4etm LOW MOLECULAR WEIGHT
PROTEIN-TYROSINE-PHO
SPHATASE YFKJ

(Bacillus
subtilis) 		PF01451
(LMWPc) 		4 ASP A 122
GLU A 134
THR A 129
SER A  95
 None
 1.39A 3p2kC-4etmA:
2.5		 3p2kC-4etmA:
21.12
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.
4go4 PUTATIVE
GAMMA-HYDROXYMUCONIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
WBC-3) 		PF00171
(Aldedh) 		4 ASN A 240
GLU A 458
THR A 224
SER A 239
 None
None
NAD  A 601 (-4.2A)
None
 1.36A 3p2kC-4go4A:
4.5		 3p2kC-4go4A:
20.16
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.
4gwn MEPRIN A SUBUNIT
BETA

(Homo sapiens) 		PF00629
(MAM)
PF01400
(Astacin) 		4 ASN A 421
ASP A 418
GLU A 296
SER A 264
 None
NA  A 702 (-2.3A)
None
None
 0.99A 3p2kC-4gwnA:
undetectable		 3p2kC-4gwnA:
16.31
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.
4ht1 CHIMERIC ANTIBODY
FAB
CHIMERIC ANTIBODY
FAB
TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
12

(Oryctolagus
cuniculus;
Oryctolagus
cuniculus;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set)
PF00229
(TNF) 		4 ASN L  32
ASP T  32
GLU T  57
THR H  31
 None
 1.42A 3p2kC-4ht1L:
undetectable		 3p2kC-4ht1L:
22.31
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 ASN A 473
GLU A 554
THR A 576
SER A 474
 None
 1.43A 3p2kC-4j3bA:
undetectable		 3p2kC-4j3bA:
12.84
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.
4k7g 3-HYDROXYPROLINE
DEHYDRATSE

(Agrobacterium
vitis) 		PF05544
(Pro_racemase) 		4 ASN B  93
ASP B 172
THR B 202
SER B  92
 None
ACT  B 902 (-3.5A)
None
PYC  B 904 (-3.0A)
 1.44A 3p2kC-4k7gB:
undetectable		 3p2kC-4k7gB:
19.95
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.
4kw2 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		4 ASN A 197
ASP A 183
GLU A  58
THR A 128
 None
 1.38A 3p2kC-4kw2A:
undetectable		 3p2kC-4kw2A:
25.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		4 ASN A 261
GLU A 476
THR A 244
SER A 260
 None
 1.39A 3p2kC-4kwgA:
4.5		 3p2kC-4kwgA:
19.56
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.
4m1r CELLULASE 5

(soil metagenome) 		PF00150
(Cellulase) 		4 ASN A  74
ASP A  63
GLU A 102
SER A  29
 None
 1.42A 3p2kC-4m1rA:
2.0		 3p2kC-4m1rA:
22.08
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.
4n7t PHOSPHOPENTOMUTASE

(Streptococcus
mutans) 		PF01676
(Metalloenzyme) 		4 ASN A 266
ASP A  13
GLU A  85
THR A  94
 None
MN  A 501 (-2.0A)
None
None
 1.39A 3p2kC-4n7tA:
undetectable		 3p2kC-4n7tA:
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.
4n7t PHOSPHOPENTOMUTASE

(Streptococcus
mutans) 		PF01676
(Metalloenzyme) 		4 ASN A 386
ASP A 332
THR A 279
SER A   2
 None
 1.43A 3p2kC-4n7tA:
undetectable		 3p2kC-4n7tA:
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.
4nnq PUTATIVE ENOYL-COA
HYDRATASE

(Streptomyces
atroolivaceus) 		PF00378
(ECH_1) 		4 ASN A  31
ASP A  71
THR A 253
SER A  26
 None
 1.02A 3p2kC-4nnqA:
undetectable		 3p2kC-4nnqA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o5p UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF09994
(DUF2235) 		4 ASP A 659
GLU A 579
THR A 677
SER A 334
 None
 1.32A 3p2kC-4o5pA:
undetectable		 3p2kC-4o5pA:
13.43
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.
4o94 TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT

(Rhodopseudomonas
palustris) 		PF03480
(DctP) 		4 ASN A 213
ASP A 235
THR A 264
SER A 212
 SIN  A 403 (-3.3A)
None
None
None
 1.34A 3p2kC-4o94A:
undetectable		 3p2kC-4o94A:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ox9 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Escherichia
coli) 		PF02390
(Methyltransf_4) 		5 ASN Y  38
ASP Y  55
GLU Y  88
THR Y 109
SER Y 195
 SFG  Y 301 ( 4.5A)
SFG  Y 301 (-2.8A)
SFG  Y 301 (-3.6A)
SFG  Y 301 (-3.3A)
SFG  Y 301 ( 3.7A)
 0.81A 3p2kC-4ox9Y:
31.6		 3p2kC-4ox9Y:
98.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r6g LEUCINE RICH REPEATS
DLRR_K

(synthetic
construct) 		PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 ASN A 290
ASP A 371
GLU A 454
SER A 292
 None
 1.14A 3p2kC-4r6gA:
undetectable		 3p2kC-4r6gA:
18.04
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.
4uar PROTEIN CBBY

(Rhodobacter
sphaeroides) 		PF13419
(HAD_2) 		4 ASN A 121
ASP A   8
GLU A 202
SER A 118
 None
 1.49A 3p2kC-4uarA:
2.0		 3p2kC-4uarA:
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.
4wzw PUMILIO
DOMAIN-CONTAINING
PROTEIN KIAA0020

(Homo sapiens) 		PF08144
(CPL) 		4 ASN A 468
ASP A 379
THR A 386
SER A 471
 None
 1.28A 3p2kC-4wzwA:
undetectable		 3p2kC-4wzwA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a87 METALLO-BETA-LACTAMA
SE VIM-5

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		4 ASN A 183
ASP A  84
THR A 133
SER A 180
 None
 1.42A 3p2kC-5a87A:
undetectable		 3p2kC-5a87A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5abm RETINAL
DEHYDROGENASE 1

(Ovis aries) 		PF00171
(Aldedh) 		4 ASN A 261
GLU A 476
THR A 244
SER A 260
 None
 1.34A 3p2kC-5abmA:
4.5		 3p2kC-5abmA:
20.52
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.
5bxp LACTO-N-BIOSIDASE

(Bifidobacterium
bifidum) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF14200
(RicinB_lectin_2) 		4 ASN A 286
ASP A 320
GLU A 392
THR A 185
 SO4  A 704 (-3.4A)
GAL  A 701 (-3.0A)
None
None
 1.17A 3p2kC-5bxpA:
undetectable		 3p2kC-5bxpA:
16.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c3u L-SERINE
AMMONIA-LYASE

(Rhizomucor
miehei) 		PF00291
(PALP) 		4 ASN A 186
GLU A 279
THR A 233
SER A 244
 None
PLP  A 401 ( 4.0A)
None
None
 1.29A 3p2kC-5c3uA:
2.4		 3p2kC-5c3uA:
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.
5ewn STRUCTURAL PROTEIN

(Mamastrovirus 1) 		PF03115
(Astro_capsid_N) 		4 ASN A 214
ASP A 375
GLU A 316
SER A 216
 None
 1.45A 3p2kC-5ewnA:
undetectable		 3p2kC-5ewnA:
20.78
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.
5fhz ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3

(Homo sapiens) 		PF00171
(Aldedh) 		4 ASN A 273
GLU A 488
THR A 256
SER A 272
 None
 1.36A 3p2kC-5fhzA:
4.6		 3p2kC-5fhzA:
20.66
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.
5hzg STRIGOLACTONE
ESTERASE D14
F-BOX/LRR-REPEAT
MAX2 HOMOLOG

(Arabidopsis
thaliana;
Oryza sativa) 		PF12697
(Abhydrolase_6)
no annotation 		4 ASP A  31
GLU B 693
THR B 664
SER A 187
 None
 1.05A 3p2kC-5hzgA:
2.8		 3p2kC-5hzgA:
24.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 ASN A 242
ASP A 258
GLU A 142
SER A 240
 None
None
GAL  A4001 (-2.7A)
None
 1.44A 3p2kC-5ihrA:
undetectable		 3p2kC-5ihrA:
12.59
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.
5inw PUTATIVE
ANGIOTENSINOGEN
C-TERMINAL PEPTIDE
OF PUTATIVE
ANGIOTENSINOGEN

(Lampetra
fluviatilis;
Lampetra
fluviatilis) 		PF00079
(Serpin)
PF00079
(Serpin) 		4 ASN A 268
ASP C 427
THR A 295
SER A 269
 None
 1.14A 3p2kC-5inwA:
undetectable		 3p2kC-5inwA:
21.10
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 ASN A 953
GLU A 618
THR A 621
SER A 882
 None
 1.49A 3p2kC-5ip9A:
undetectable		 3p2kC-5ip9A:
8.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jqx GLUCOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00535
(Glycos_transf_2) 		4 ASN A 139
ASP A 136
GLU A 265
SER A  60
 None
 1.48A 3p2kC-5jqxA:
undetectable		 3p2kC-5jqxA:
23.51
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.
5kvu ISOCITRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF03971
(IDH) 		4 ASN A 137
GLU A 498
THR A 383
SER A 134
 NAP  A 801 ( 3.6A)
None
None
MLT  A 802 (-2.6A)
 1.40A 3p2kC-5kvuA:
undetectable		 3p2kC-5kvuA:
15.15
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.
5mdq CHITOPORIN

(Vibrio harveyi) 		no annotation 4 ASN A 127
ASP A 135
GLU A 204
THR A 115
 None
 1.11A 3p2kC-5mdqA:
undetectable		 3p2kC-5mdqA:
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.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Archaeoglobus
fulgidus) 		no annotation 4 ASN A  82
ASP A  85
GLU A 249
THR A 281
 None
 1.46A 3p2kC-5mqzA:
undetectable		 3p2kC-5mqzA:
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.
5msy GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		4 ASN A 236
ASP A 282
THR A  61
SER A 223
 None
None
NH3  A 504 ( 2.8A)
None
 1.31A 3p2kC-5msyA:
undetectable		 3p2kC-5msyA:
17.49
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.
5t3u PTS SYSTEM, IIA
COMPONENT

(Streptococcus
pneumoniae) 		PF03610
(EIIA-man) 		4 ASN A  66
ASP A  60
GLU A  52
SER A  65
 None
 1.41A 3p2kC-5t3uA:
undetectable		 3p2kC-5t3uA:
23.81
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.
5u84 ACID CERAMIDASE

(Balaenoptera
acutorostrata) 		no annotation 4 ASN A 224
ASP A 162
GLU A 180
SER A 145
 None
 1.44A 3p2kC-5u84A:
undetectable		 3p2kC-5u84A:
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.
5ve2 ENOYL-COA HYDRATASE

(Pseudoalteromonas
atlantica) 		PF00378
(ECH_1) 		4 ASN A  43
GLU A 137
THR A 109
SER A  42
 ASN  A  43 ( 0.6A)
GLU  A 137 ( 0.6A)
THR  A 109 ( 0.8A)
SER  A  42 (-0.0A)
 1.14A 3p2kC-5ve2A:
undetectable		 3p2kC-5ve2A:
24.50
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.
5whs CATALASE-PEROXIDASE

(Neurospora
crassa) 		no annotation 4 ASN A 516
GLU A 677
THR A 607
SER A 486
 None
 1.34A 3p2kC-5whsA:
undetectable		 3p2kC-5whsA:
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.
5yem CATALASE

(Mycothermus
thermophilus) 		no annotation 4 ASN A 284
ASP A 275
GLU A 260
SER A 282
 None
 1.47A 3p2kC-5yemA:
2.3		 3p2kC-5yemA:
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.
6b5i RETINAL
DEHYDROGENASE 2

(Homo sapiens) 		no annotation 4 ASN A 279
GLU A 494
THR A 262
SER A 278
 None
 1.36A 3p2kC-6b5iA:
4.6		 3p2kC-6b5iA:
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT D
V-TYPE PROTON ATPASE
SUBUNIT C''

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		4 ASN B  22
ASP C 174
GLU C 188
THR C  82
 None
 1.31A 3p2kC-6c6lB:
undetectable		 3p2kC-6c6lB:
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 4 ASN A 354
ASP A 318
GLU A 782
SER A 569
 None
G39  A 908 ( 4.2A)
None
None
 1.30A 3p2kC-6eksA:
undetectable		 3p2kC-6eksA:
14.81