SIMILAR PATTERNS OF AMINO ACIDS FOR 4DF3_A_SAMA301_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.
1ez4 LACTATE
DEHYDROGENASE

(Lactobacillus
pentosus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 TYR A 280
THR A 289
GLU A 310
 None
 0.82A 4df3A-1ez4A:
6.5		 4df3A-1ez4A:
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.
1fml RETINOL DEHYDRATASE

(Spodoptera
frugiperda) 		PF00685
(Sulfotransfer_1) 		3 TYR A 120
THR A  33
GLU A 118
 RTL  A 401 ( 4.5A)
None
None
 0.75A 4df3A-1fmlA:
0.7		 4df3A-1fmlA:
21.91
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.
1ltd FLAVOCYTOCHROME B2

(Saccharomyces
cerevisiae) 		PF00173
(Cyt-b5)
PF01070
(FMN_dh) 		3 TYR A 251
THR A 229
GLU A 236
 None
 0.67A 4df3A-1ltdA:
0.1		 4df3A-1ltdA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lyw CATHEPSIN D

(Homo sapiens) 		PF00026
(Asp) 		3 TYR B 330
THR B 186
GLU B 180
 None
 0.82A 4df3A-1lywB:
undetectable		 4df3A-1lywB:
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.
1nf2 PHOSPHATASE

(Thermotoga
maritima) 		PF08282
(Hydrolase_3) 		3 TYR A  71
THR A  59
GLU A  75
 None
 0.82A 4df3A-1nf2A:
3.9		 4df3A-1nf2A:
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.
1now BETA-HEXOSAMINIDASE
BETA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		3 TYR A 149
THR A 174
GLU A 147
 None
 0.68A 4df3A-1nowA:
0.8		 4df3A-1nowA:
17.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nt2 FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN

(Archaeoglobus
fulgidus) 		PF01269
(Fibrillarin) 		3 TYR A  63
THR A  71
GLU A  88
 None
SAM  A 301 (-4.1A)
SAM  A 301 (-2.4A)
 0.35A 4df3A-1nt2A:
26.1		 4df3A-1nt2A:
44.21
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.
1oyp RIBONUCLEASE PH

(Bacillus
subtilis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 TYR A  63
THR A 125
GLU A  89
 None
SO4  A 301 (-3.1A)
None
 0.66A 4df3A-1oypA:
0.0		 4df3A-1oypA:
22.74
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.
1qcw FLAVOCYTOCHROME B2

(Saccharomyces
cerevisiae) 		PF01070
(FMN_dh) 		3 TYR A 251
THR A 229
GLU A 236
 None
 0.80A 4df3A-1qcwA:
0.3		 4df3A-1qcwA:
19.32
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.
1qqf PROTEIN (COMPLEMENT
C3DG)

(Rattus
norvegicus) 		PF07678
(A2M_comp)
PF10569
(Thiol-ester_cl) 		3 TYR A1081
THR A1019
GLU A1153
 None
 0.73A 4df3A-1qqfA:
undetectable		 4df3A-1qqfA:
19.43
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.
1r6m RIBONUCLEASE PH

(Pseudomonas
aeruginosa) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 TYR A  64
THR A 126
GLU A  90
 None
PO4  A 242 (-2.8A)
None
 0.83A 4df3A-1r6mA:
undetectable		 4df3A-1r6mA:
23.55
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.
1sur PAPS REDUCTASE

(Escherichia
coli) 		PF01507
(PAPS_reduct) 		3 TYR A 130
THR A  78
GLU A 113
 None
 0.75A 4df3A-1surA:
undetectable		 4df3A-1surA:
21.93
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		3 TYR A  34
THR A 146
GLU A 279
 None
 0.57A 4df3A-1szqA:
undetectable		 4df3A-1szqA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t47 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Streptomyces
avermitilis) 		PF00903
(Glyoxalase) 		3 TYR A 300
THR A 295
GLU A 319
 None
 0.79A 4df3A-1t47A:
undetectable		 4df3A-1t47A:
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.
1ukw ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 TYR A 352
THR A 324
GLU A 359
 None
 0.73A 4df3A-1ukwA:
undetectable		 4df3A-1ukwA:
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.
1xa6 BETA2-CHIMAERIN

(Homo sapiens) 		PF00017
(SH2)
PF00130
(C1_1)
PF00620
(RhoGAP) 		3 TYR A 228
THR A 146
GLU A 152
 None
 0.78A 4df3A-1xa6A:
undetectable		 4df3A-1xa6A:
19.65
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.
1ygh PROTEIN
(TRANSCRIPTIONAL
ACTIVATOR GCN5)

(Saccharomyces
cerevisiae) 		PF00583
(Acetyltransf_1) 		3 TYR A 141
THR A 118
GLU A 134
 None
 0.70A 4df3A-1yghA:
undetectable		 4df3A-1yghA:
24.14
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		3 TYR A 525
THR A 534
GLU A 530
 None
 0.73A 4df3A-1yiqA:
undetectable		 4df3A-1yiqA:
16.59
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		3 TYR A 297
THR A 249
GLU A 257
 None
 0.81A 4df3A-2bwgA:
undetectable		 4df3A-2bwgA:
20.71
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.
2gjx BETA-HEXOSAMINIDASE
ALPHA CHAIN

(Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		3 TYR A 116
THR A 141
GLU A 114
 None
 0.72A 4df3A-2gjxA:
undetectable		 4df3A-2gjxA:
18.16
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens) 		no annotation 3 TYR I 116
THR I 141
GLU I 114
 None
 0.76A 4df3A-2gk1I:
undetectable		 4df3A-2gk1I:
19.34
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN B

(Homo sapiens) 		no annotation 3 TYR M 149
THR M 174
GLU M 147
 None
 0.71A 4df3A-2gk1M:
undetectable		 4df3A-2gk1M:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		3 TYR A  89
THR A 109
GLU A 142
 None
5CA  A 439 (-3.6A)
5CA  A 439 (-3.2A)
 0.67A 4df3A-2i4nA:
undetectable		 4df3A-2i4nA:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipx RRNA
2'-O-METHYLTRANSFERA
SE FIBRILLARIN

(Homo sapiens) 		PF01269
(Fibrillarin) 		3 TYR A 166
THR A 174
GLU A 192
 None
None
MTA  A4001 (-2.7A)
 0.37A 4df3A-2ipxA:
28.1		 4df3A-2ipxA:
45.57
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.
2mii PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOB

(Escherichia
coli) 		PF13036
(LpoB) 		3 TYR A 159
THR A  82
GLU A 185
 None
 0.80A 4df3A-2miiA:
undetectable		 4df3A-2miiA:
18.78
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.
2mnj TPR
REPEAT-CONTAINING
PROTEIN ASSOCIATED
WITH HSP90
PROTEIN INTERACTING
WITH HSP90 1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		3 TYR B 108
THR B 106
GLU A  15
 None
 0.79A 4df3A-2mnjB:
undetectable		 4df3A-2mnjB:
19.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o8v PHOSPHOADENOSINE
PHOSPHOSULFATE
REDUCTASE

(Escherichia
coli) 		PF01507
(PAPS_reduct) 		3 TYR A 131
THR A  79
GLU A 114
 None
 0.80A 4df3A-2o8vA:
undetectable		 4df3A-2o8vA:
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.
2op7 NEDD4-LIKE E3
UBIQUITIN-PROTEIN
LIGASE WWP1

(Homo sapiens) 		PF00397
(WW) 		3 TYR A  20
THR A  14
GLU A  10
 None
 0.28A 4df3A-2op7A:
undetectable		 4df3A-2op7A:
12.82
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.
2pk2 CYCLIN-T1, PROTEIN
TAT

(Homo sapiens;
Equine
infectious
anemia virus) 		PF00134
(Cyclin_N) 		3 TYR A  13
THR A 192
GLU A 147
 TYR  A  13 ( 1.3A)
THR  A 192 ( 0.8A)
GLU  A 147 ( 0.6A)
 0.83A 4df3A-2pk2A:
undetectable		 4df3A-2pk2A:
20.57
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.
2pnz PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Pyrococcus
abyssi) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 TYR A  79
THR A 136
GLU A 100
 None
UDP  A 250 (-2.8A)
None
 0.70A 4df3A-2pnzA:
undetectable		 4df3A-2pnzA:
23.10
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.
2pvq GLUTATHIONE
S-TRANSFERASE

(Ochrobactrum
anthropi) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		3 TYR A   4
THR A  37
GLU A  26
 None
 0.81A 4df3A-2pvqA:
undetectable		 4df3A-2pvqA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q2e TYPE II DNA
TOPOISOMERASE VI
SUBUNIT A

(Methanosarcina
mazei) 		PF04406
(TP6A_N) 		3 TYR A  28
THR A  82
GLU A  91
 None
 0.65A 4df3A-2q2eA:
undetectable		 4df3A-2q2eA:
24.74
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.
2qs8 XAA-PRO DIPEPTIDASE

(Alteromonas
macleodii) 		PF01979
(Amidohydro_1) 		3 TYR A 274
THR A 312
GLU A 340
 None
 0.65A 4df3A-2qs8A:
undetectable		 4df3A-2qs8A:
21.73
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.
2wnr PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Methanothermobacter
thermautotrophicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 TYR B  79
THR B 136
GLU B 100
 None
PO4  B1237 (-2.8A)
None
 0.73A 4df3A-2wnrB:
undetectable		 4df3A-2wnrB:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xdr BETAINE ALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		3 TYR A 116
THR A 469
GLU A 450
 None
 0.76A 4df3A-2xdrA:
3.9		 4df3A-2xdrA:
20.84
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.
2xvx CHELATASE, PUTATIVE

(Desulfovibrio
vulgaris) 		PF06180
(CbiK) 		3 TYR A 170
THR A 125
GLU A 133
 None
 0.75A 4df3A-2xvxA:
undetectable		 4df3A-2xvxA:
20.94
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.
3b2d CD180 ANTIGEN

(Homo sapiens) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		3 TYR A 351
THR A 374
GLU A 302
 None
 0.68A 4df3A-3b2dA:
undetectable		 4df3A-3b2dA:
16.67
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.
3b4t RIBONUCLEASE PH

(Mycobacterium
tuberculosis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 TYR A  64
THR A 126
GLU A  90
 None
PO4  A 260 ( 2.8A)
None
 0.62A 4df3A-3b4tA:
undetectable		 4df3A-3b4tA:
24.61
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.
3c5m OLIGOGALACTURONATE
LYASE

(Vibrio
parahaemolyticus) 		PF14583
(Pectate_lyase22) 		3 TYR A  39
THR A 129
GLU A 243
 None
 0.60A 4df3A-3c5mA:
undetectable		 4df3A-3c5mA:
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.
3edv SPECTRIN BETA CHAIN,
BRAIN 1

(Homo sapiens) 		PF00435
(Spectrin) 		3 TYR A1983
THR A1910
GLU A1987
 None
 0.62A 4df3A-3edvA:
undetectable		 4df3A-3edvA:
23.44
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.
3euj CHROMOSOME PARTITION
PROTEIN MUKB, LINKER

([Haemophilus]
ducreyi) 		PF04310
(MukB)
PF13558
(SbcCD_C) 		3 TYR A1344
THR A1310
GLU A1364
 None
 0.60A 4df3A-3eujA:
undetectable		 4df3A-3eujA:
18.71
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.
3flt SAP-LIKE PENTRAXIN

(Limulus
polyphemus) 		PF00354
(Pentaxin) 		3 TYR A  49
THR A  47
GLU A 154
 OPE  A 400 (-4.6A)
None
CA  A 303 (-2.7A)
 0.77A 4df3A-3fltA:
undetectable		 4df3A-3fltA:
18.93
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.
3j0c E1 ENVELOPE
GLYCOPROTEIN

(Venezuelan
equine
encephalitis
virus) 		PF01589
(Alpha_E1_glycop) 		3 TYR A  51
THR A 217
GLU A 241
 None
 0.75A 4df3A-3j0cA:
undetectable		 4df3A-3j0cA:
20.14
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.
3ldf PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.776

(Streptococcus
mutans) 		PF10672
(Methyltrans_SAM) 		3 TYR A 115
THR A 193
GLU A 178
 None
 0.83A 4df3A-3ldfA:
13.3		 4df3A-3ldfA:
21.84
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.
3mru AMINOACYL-HISTIDINE
DIPEPTIDASE

(Vibrio
alginolyticus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 TYR A 103
THR A 110
GLU A   3
 None
 0.82A 4df3A-3mruA:
undetectable		 4df3A-3mruA:
18.16
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.
3mzk PROTEIN TRANSPORT
PROTEIN SEC16

(Saccharomyces
cerevisiae) 		PF12931
(Sec16_C)
PF12932
(Sec16) 		3 TYR B1006
THR B1030
GLU B1026
 None
 0.66A 4df3A-3mzkB:
undetectable		 4df3A-3mzkB:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oix PUTATIVE
DIHYDROOROTATE
DEHYDROGENASE
DIHYDROOROTATE
OXIDASE

(Streptococcus
mutans) 		PF01180
(DHO_dh) 		3 TYR A  80
THR A  27
GLU A  87
 None
 0.74A 4df3A-3oixA:
undetectable		 4df3A-3oixA:
21.94
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.
3pe7 OLIGOGALACTURONATE
LYASE

(Yersinia
enterocolitica) 		PF14583
(Pectate_lyase22) 		3 TYR A  39
THR A 129
GLU A 243
 None
 0.63A 4df3A-3pe7A:
undetectable		 4df3A-3pe7A:
22.28
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.
3pt1 UPF0364 PROTEIN
YMR027W

(Saccharomyces
cerevisiae) 		PF01937
(DUF89) 		3 TYR A 146
THR A 200
GLU A 320
 None
 0.79A 4df3A-3pt1A:
3.6		 4df3A-3pt1A:
18.51
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.
3qml 78 KDA
GLUCOSE-REGULATED
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		3 TYR A 243
THR A 358
GLU A 396
 None
 0.80A 4df3A-3qmlA:
undetectable		 4df3A-3qmlA:
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.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE

(Paenarthrobacter
aurescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		3 TYR A  77
THR A 101
GLU A  75
 None
 0.83A 4df3A-3rcnA:
undetectable		 4df3A-3rcnA:
19.22
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.
3sdo NITRILOTRIACETATE
MONOOXYGENASE

(Burkholderia
pseudomallei) 		PF00296
(Bac_luciferase) 		3 TYR A 284
THR A 356
GLU A 365
 None
 0.76A 4df3A-3sdoA:
undetectable		 4df3A-3sdoA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		3 TYR A 101
THR A 126
GLU A  99
 None
 0.70A 4df3A-3sutA:
undetectable		 4df3A-3sutA:
19.20
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.
3uc3 SERINE/THREONINE-PRO
TEIN KINASE SRK2I

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		3 TYR A 183
THR A 207
GLU A 219
 None
 0.82A 4df3A-3uc3A:
undetectable		 4df3A-3uc3A:
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.
3udb SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		3 TYR A 182
THR A 206
GLU A 218
 None
 0.73A 4df3A-3udbA:
undetectable		 4df3A-3udbA:
22.42
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.
3ujg SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		3 TYR A 182
THR A 206
GLU A 218
 None
 0.71A 4df3A-3ujgA:
undetectable		 4df3A-3ujgA:
20.49
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.
3v9f TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE
REGULATOR, HYBRID
(ONE-COMPONENT
SYSTEM)

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		3 TYR A 169
THR A 167
GLU A 187
 None
 0.77A 4df3A-3v9fA:
undetectable		 4df3A-3v9fA:
15.06
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.
3vrd FLAVOCYTOCHROME C
FLAVIN SUBUNIT

(Thermochromatium
tepidum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		3 TYR B  40
THR B  38
GLU B 132
 None
 0.77A 4df3A-3vrdB:
3.6		 4df3A-3vrdB:
20.60
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.
3vse PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF10672
(Methyltrans_SAM) 		3 TYR A 118
THR A 195
GLU A 180
 None
 0.76A 4df3A-3vseA:
14.4		 4df3A-3vseA:
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.
3vtr N-ACETYLGLUCOSAMINID
ASE

(Ostrinia
furnacalis) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2) 		3 TYR A 151
THR A 181
GLU A 149
 None
 0.75A 4df3A-3vtrA:
undetectable		 4df3A-3vtrA:
16.87
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.
3wc3 ENDO-1,
4-BETA-GLUCANASE

(Eisenia fetida) 		PF00759
(Glyco_hydro_9) 		3 TYR A 277
THR A 260
GLU A 234
 None
None
CA  A 501 (-2.2A)
 0.77A 4df3A-3wc3A:
undetectable		 4df3A-3wc3A:
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.
3zgj 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE

(Streptomyces
coelicolor) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		3 TYR A 291
THR A 286
GLU A 310
 None
 0.78A 4df3A-3zgjA:
undetectable		 4df3A-3zgjA:
20.95
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.
3zh2 L-LACTATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 TYR A 268
THR A 277
GLU A 298
 None
 0.48A 4df3A-3zh2A:
5.4		 4df3A-3zh2A:
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.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		3 TYR A 544
THR A 497
GLU A 182
 None
None
EDO  A1621 (-4.8A)
 0.75A 4df3A-4az7A:
undetectable		 4df3A-4az7A:
19.08
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.
4c7g BETA-N-ACETYLHEXOSAM
INIDASE

(Streptomyces
coelicolor) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		3 TYR A  82
THR A 107
GLU A  80
 None
 0.81A 4df3A-4c7gA:
undetectable		 4df3A-4c7gA:
21.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4df3 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Aeropyrum
pernix) 		PF01269
(Fibrillarin) 		3 TYR A  83
THR A  91
GLU A 109
 SAM  A 301 (-4.5A)
SAM  A 301 (-3.3A)
SAM  A 301 (-2.9A)
 0.02A 4df3A-4df3A:
44.5		 4df3A-4df3A:
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.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		3 TYR C 634
THR C 632
GLU C 619
 None
 0.78A 4df3A-4oqaC:
undetectable		 4df3A-4oqaC:
17.68
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.
4p3y THIOL:DISULFIDE
INTERCHANGE PROTEIN

(Acinetobacter
baumannii) 		PF01323
(DSBA) 		3 TYR B  76
THR B  60
GLU B  69
 None
 0.70A 4df3A-4p3yB:
undetectable		 4df3A-4p3yB:
19.83
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.
4rth MEMBRANE-EXTRINSIC
PROTEIN OF
PHOTOSYSTEM II PSBP

(Zea mays) 		PF01789
(PsbP) 		3 TYR A 127
THR A  72
GLU A  78
 None
 0.70A 4df3A-4rthA:
undetectable		 4df3A-4rthA:
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.
4rti OXYGEN-EVOLVING
ENHANCER PROTEIN 2,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF01789
(PsbP) 		3 TYR A 127
THR A  72
GLU A  78
 None
 0.83A 4df3A-4rtiA:
undetectable		 4df3A-4rtiA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4trt DNA POLYMERASE III
SUBUNIT BETA

(Deinococcus
radiodurans) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		3 TYR A 115
THR A  48
GLU A  37
 None
 0.80A 4df3A-4trtA:
undetectable		 4df3A-4trtA:
22.80
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.
4xpr ALPHA-GLUCOSIDASE

(Pseudopedobacter
saltans) 		PF01055
(Glyco_hydro_31)
PF17137
(DUF5110) 		3 TYR A 224
THR A 413
GLU A 675
 None
 0.56A 4df3A-4xprA:
undetectable		 4df3A-4xprA:
15.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ylc HEAT SHOCK PROTEIN
HSP20

(Sulfolobus
solfataricus) 		PF00011
(HSP20) 		3 TYR A  71
THR A  78
GLU A  68
 None
 0.83A 4df3A-4ylcA:
undetectable		 4df3A-4ylcA:
19.64
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		3 TYR C   9
THR C  16
GLU C 127
 None
 0.82A 4df3A-4z42C:
undetectable		 4df3A-4z42C:
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT
PUTATIVE
OXIDOREDUCTASE
FAD-BINDING SUBUNIT

(Sulfurisphaera
tokodaii;
Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		3 TYR B 259
THR A 580
GLU A 703
 None
 0.73A 4df3A-4zohB:
undetectable		 4df3A-4zohB:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxl O-GLCNACASE NAGJ

(Clostridium
perfringens) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		3 TYR A 133
THR A 158
GLU A 131
 None
 0.76A 4df3A-4zxlA:
2.5		 4df3A-4zxlA:
17.13
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.
5a0k LABDANE-RELATED
DITERPENE SYNTHASE

(Streptomyces
sp.) 		no annotation 3 TYR A 235
THR A 251
GLU A 262
 None
 0.53A 4df3A-5a0kA:
undetectable		 4df3A-5a0kA:
21.49
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.
5btr NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1

(Homo sapiens) 		PF02146
(SIR2) 		3 TYR A 650
THR A 242
GLU A 488
 None
 0.79A 4df3A-5btrA:
undetectable		 4df3A-5btrA:
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.
5dan 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE

(Thermotoga
maritima) 		PF00248
(Aldo_ket_red) 		3 TYR A 226
THR A 204
GLU A 215
 NAP  A 301 (-3.9A)
NAP  A 301 (-4.4A)
None
 0.77A 4df3A-5danA:
undetectable		 4df3A-5danA:
23.47
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.
5dcz TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		3 TYR A1009
THR A1102
GLU A1150
 None
 0.72A 4df3A-5dczA:
undetectable		 4df3A-5dczA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 3 TYR A 448
THR A 441
GLU A 511
 None
 0.75A 4df3A-5f75A:
undetectable		 4df3A-5f75A:
18.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE

(Sulfolobus
solfataricus) 		PF01269
(Fibrillarin) 		3 TYR E  82
THR E  90
GLU E 108
 SAH  E 301 (-4.9A)
SAH  E 301 (-3.2A)
SAH  E 301 (-3.0A)
 0.40A 4df3A-5ginE:
33.5		 4df3A-5ginE:
53.22
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		3 TYR B1243
THR B1198
GLU B1206
 None
 0.80A 4df3A-5gztB:
undetectable		 4df3A-5gztB:
12.23
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.
5hop LMO0182 PROTEIN

(Listeria
monocytogenes) 		no annotation 3 TYR A  54
THR A 103
GLU A  60
 None
 0.82A 4df3A-5hopA:
undetectable		 4df3A-5hopA:
18.91
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.
5jen ANTI-SIGMA-V FACTOR
RSIV

(Bacillus
subtilis) 		PF11738
(DUF3298)
PF13739
(DUF4163) 		3 TYR A 241
THR A 243
GLU A 147
 None
 0.82A 4df3A-5jenA:
undetectable		 4df3A-5jenA:
19.37
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.
5m85 SENSORY TRANSDUCTION
HISTIDINE KINASE

(Synechocystis
sp. PCC 6803) 		no annotation 3 TYR A 509
THR A 543
GLU A 513
 NA  A 703 ( 4.3A)
CYC  A 701 ( 4.0A)
None
 0.81A 4df3A-5m85A:
undetectable		 4df3A-5m85A:
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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 3 TYR B 128
THR B 155
GLU B 126
 None
 0.70A 4df3A-5oarB:
undetectable		 4df3A-5oarB:
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.
5oex -

(-) 		no annotation 3 TYR A 448
THR A 441
GLU A 511
 None
 0.81A 4df3A-5oexA:
undetectable		 4df3A-5oexA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t4y SUSC HOMOLOG

(Bacteroides
thetaiotaomicron) 		no annotation 3 TYR D 422
THR D 368
GLU D 481
 None
 0.82A 4df3A-5t4yD:
undetectable		 4df3A-5t4yD:
12.54
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.
5ulj RAI1

(Scheffersomyces
stipitis) 		PF08652
(RAI1) 		3 TYR A 119
THR A 328
GLU A 266
 None
 0.52A 4df3A-5uljA:
undetectable		 4df3A-5uljA:
21.56
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.
5voc ENVELOPE
GLYCOPROTEIN H

(Human
betaherpesvirus
5) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		3 TYR A 306
THR A 272
GLU A 355
 None
 0.68A 4df3A-5vocA:
undetectable		 4df3A-5vocA:
14.44
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.
5w0s 60 KDA CHAPERONIN

(Escherichia
coli) 		PF00118
(Cpn60_TCP1) 		3 TYR A 485
THR A 468
GLU A 460
 None
 0.83A 4df3A-5w0sA:
undetectable		 4df3A-5w0sA:
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.
5wax -

(-) 		no annotation 3 TYR A 174
THR A 198
GLU A 210
 None
 0.65A 4df3A-5waxA:
undetectable		 4df3A-5waxA:
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.
5wjc KINETOCHORE PROTEIN
MIS16

(Schizosaccharomyces
pombe) 		no annotation 3 TYR A 231
THR A 265
GLU A 270
 None
 0.74A 4df3A-5wjcA:
undetectable		 4df3A-5wjcA:
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.
5wqw N-ACETYLGLUCOSAMINID
ASE

(Clostridium
perfringens) 		PF01832
(Glucosaminidase) 		3 TYR A1018
THR A1016
GLU A1053
 None
 0.81A 4df3A-5wqwA:
undetectable		 4df3A-5wqwA:
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.
5xnl OXYGEN-EVOLVING
ENHANCER PROTEIN 2,
CHLOROPLASTIC

(Pisum sativum) 		PF01789
(PsbP) 		3 TYR P 127
THR P  72
GLU P  78
 None
 0.83A 4df3A-5xnlP:
undetectable		 4df3A-5xnlP:
23.05
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.
5xyi UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00366
(Ribosomal_S17)
PF16205
(Ribosomal_S17_N) 		3 TYR L  88
THR L 103
GLU L  99
 G  2 239 ( 4.4A)
U  2 238 ( 2.8A)
None
 0.66A 4df3A-5xyiL:
undetectable		 4df3A-5xyiL:
24.15
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 3 TYR A 781
THR A 767
GLU A 775
 None
 0.79A 4df3A-6eoqA:
2.1		 4df3A-6eoqA:
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.
6fah CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARE
CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARD

(Acetobacterium
woodii;
Acetobacterium
woodii) 		no annotation
no annotation 		3 TYR B 165
THR A 266
GLU A 262
 None
 0.83A 4df3A-6fahB:
3.5		 4df3A-6fahB:
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.
6g6s APOPTOTIC CHROMATIN
CONDENSATION INDUCER
IN THE NUCLEUS

(Homo sapiens) 		no annotation 3 TYR A1056
THR A1035
GLU A1040
 None
 0.71A 4df3A-6g6sA:
undetectable		 4df3A-6g6sA:
undetectable