SIMILAR PATTERNS OF AMINO ACIDS FOR 5FHR_A_SAMA303

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.
1pc3 PHOSPHATE-BINDING
PROTEIN 1

(Mycobacterium
tuberculosis) 		PF12849
(PBP_like_2) 		5 VAL A 158
GLU A 217
GLY A 214
ASN A 206
GLN A 232
 None
 1.48A 5fhrA-1pc3A:
undetectable		 5fhrA-1pc3A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ser PROTEIN (SERYL-TRNA
SYNTHETASE
(E.C.6.1.1.11))

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 ASN A 231
VAL A 228
GLY A 250
TYR A 281
MET A 180
 None
 1.42A 5fhrA-1serA:
undetectable		 5fhrA-1serA:
19.39
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ASN A 113
 SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
 0.78A 5fhrA-1susA:
18.6		 5fhrA-1susA:
25.58
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.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 MET B 682
ASN B 683
VAL B 684
TYR B 720
MET B 725
 None
 1.49A 5fhrA-2bkuB:
undetectable		 5fhrA-2bkuB:
14.74
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.
2h1y MALONYL COENZYME
A-ACYL CARRIER
PROTEIN TRANSACYLASE

(Helicobacter
pylori) 		PF00698
(Acyl_transf_1) 		5 VAL A  96
GLY A   9
TYR A  65
GLN A 163
HIS A  91
 None
 1.23A 5fhrA-2h1yA:
0.7		 5fhrA-2h1yA:
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.
3akf PUTATIVE SECRETED
ALPHA
L-ARABINOFURANOSIDAS
E II

(Streptomyces
avermitilis) 		PF04616
(Glyco_hydro_43)
PF05270
(AbfB) 		5 ASN A 422
GLU A 419
GLY A 425
TYR A 423
TYR A 421
 None
 1.43A 5fhrA-3akfA:
undetectable		 5fhrA-3akfA:
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.
3b8y ENDO-PECTATE LYASE

(Dickeya
chrysanthemi) 		PF03211
(Pectate_lyase) 		5 ASN A 274
VAL A 273
GLY A 209
TYR A  34
MET A  25
 None
 1.45A 5fhrA-3b8yA:
undetectable		 5fhrA-3b8yA:
21.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		11 MET A  40
ASN A  41
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
ASN A  92
GLN A 120
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.29A 5fhrA-3bwmA:
34.3		 5fhrA-3bwmA:
80.75
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.
3d8k PROTEIN PHOSPHATASE
2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		5 VAL A 187
GLU A 114
GLY A 115
ASN A 150
GLN A 143
 None
 1.37A 5fhrA-3d8kA:
undetectable		 5fhrA-3d8kA:
19.52
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.
3fsg ALPHA/BETA
SUPERFAMILY
HYDROLASE

(Oenococcus oeni) 		PF12697
(Abhydrolase_6) 		5 VAL A 219
GLY A 243
TYR A 221
ASN A 240
HIS A 133
 None
 1.43A 5fhrA-3fsgA:
2.8		 5fhrA-3fsgA:
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.
3mzn GLUCARATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF13378
(MR_MLE_C) 		5 VAL A 242
GLU A 262
GLY A 260
ASN A 233
GLN A 293
 None
 1.34A 5fhrA-3mznA:
undetectable		 5fhrA-3mznA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		6 VAL A  55
GLU A  77
GLY A  79
TYR A  84
ASN A 104
GLN A 154
 SO4  A 233 (-4.2A)
SO4  A 233 (-4.0A)
None
SO4  A 233 (-4.9A)
None
None
 1.07A 5fhrA-3ntvA:
18.9		 5fhrA-3ntvA:
22.54
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 ASN A  98
GLY A 150
TYR A  99
GLN A 281
HIS A 142
 None
GOL  A 800 ( 3.5A)
B3N  A 700 ( 3.8A)
None
B3N  A 700 (-3.7A)
 1.50A 5fhrA-4bz7A:
4.5		 5fhrA-4bz7A:
19.87
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.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A 369
GLU A 336
GLY A 585
TYR A 361
GLN A 588
 None
 1.39A 5fhrA-4c2tA:
2.7		 5fhrA-4c2tA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A 369
GLU A 336
GLY A 585
TYR A 361
GLN A 588
 None
 1.35A 5fhrA-4c30A:
3.1		 5fhrA-4c30A:
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.
4g8t GLUCARATE
DEHYDRATASE

(Actinobacillus
succinogenes) 		PF13378
(MR_MLE_C) 		5 VAL A 242
GLU A 262
GLY A 260
ASN A 233
GLN A 293
 None
None
None
NA  A 502 (-3.7A)
None
 1.15A 5fhrA-4g8tA:
undetectable		 5fhrA-4g8tA:
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.
4ig7 UBIQUITIN C-TERMINAL
HYDROLASE 37

(Trichinella
spiralis) 		PF01088
(Peptidase_C12) 		5 VAL A 168
GLY A  48
TYR A 173
GLN A 225
HIS A  47
 None
 1.16A 5fhrA-4ig7A:
undetectable		 5fhrA-4ig7A:
18.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		6 GLU A 107
GLY A 109
TYR A 114
ASN A 135
GLN A 163
HIS A 185
 None
2F6  A 301 (-3.6A)
None
None
2F6  A 301 (-3.8A)
None
 0.47A 5fhrA-4p58A:
29.6		 5fhrA-4p58A:
97.17
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.
4u49 PECTATE LYASE

(Pectobacterium
carotovorum) 		PF03211
(Pectate_lyase) 		5 ASN A 277
VAL A 276
GLY A 212
TYR A  36
MET A  27
 None
 1.48A 5fhrA-4u49A:
undetectable		 5fhrA-4u49A:
19.94
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.
5jyl SCFV TSP7

(Mus musculus) 		PF07686
(V-set) 		5 VAL B  93
GLU B   6
GLY B 110
TYR B  94
GLN B   1
 PO4  B 302 ( 4.9A)
None
None
None
None
 1.47A 5fhrA-5jylB:
undetectable		 5fhrA-5jylB:
20.38
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ASN A 127
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
None
 0.56A 5fhrA-5kvaA:
18.8		 5fhrA-5kvaA:
26.34
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 MET A  75
GLU A  99
GLY A 101
TYR A 103
ASN A 127
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
 0.45A 5fhrA-5kvaA:
18.8		 5fhrA-5kvaA:
26.34
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.
5nqf APICAL MEMBRANE
ANTIGEN 1

(Plasmodium
falciparum) 		PF02430
(AMA-1) 		5 ASN A 293
VAL A 294
MET A 224
ASN A 225
HIS A 220
 ASN  A 293 ( 0.6A)
VAL  A 294 ( 0.6A)
MET  A 224 ( 0.0A)
ASN  A 225 ( 0.6A)
HIS  A 220 ( 1.0A)
 1.48A 5fhrA-5nqfA:
undetectable		 5fhrA-5nqfA:
18.09
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 ASN A 730
VAL A 731
GLY A 689
GLN A 664
HIS A 688
 None
 1.48A 5fhrA-6fikA:
undetectable		 5fhrA-6fikA:
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.
6g96 ACETYLTRANSFERASE

(Salmonella
enterica) 		no annotation 5 GLY B  60
TYR B  62
GLN B 104
HIS B  59
TRP B   6
 None
 1.17A 5fhrA-6g96B:
undetectable		 5fhrA-6g96B:
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.
1eth TRIACYLGLYCEROL
ACYL-HYDROLASE

(Sus scrofa) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 SER A 111
GLU A  84
SER A  88
ASP A 106
 None
 1.48A 5fhrA-1ethA:
2.3		 5fhrA-1ethA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		4 SER A 180
GLU A 456
SER A 397
ASP A 245
 None
CA  A1495 ( 4.3A)
None
None
 1.15A 5fhrA-1hcuA:
0.0		 5fhrA-1hcuA:
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.
1lpf DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A  63
GLU A 194
TYR A 357
SER A 170
 None
None
FAD  A 480 ( 4.7A)
FAD  A 480 ( 3.7A)
 1.25A 5fhrA-1lpfA:
2.6		 5fhrA-1lpfA:
17.54
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		4 SER A  58
GLU A 358
TYR A 343
ASP A 363
 None
 1.31A 5fhrA-1mz5A:
0.0		 5fhrA-1mz5A:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uwi BETA-GALACTOSIDASE

(Sulfolobus
solfataricus) 		PF00232
(Glyco_hydro_1) 		4 SER A 265
GLU A 362
TYR A 340
SER A 357
 None
 1.46A 5fhrA-1uwiA:
1.1		 5fhrA-1uwiA:
18.10
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.
1v59 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A  59
GLU A 197
TYR A 364
SER A 173
 None
FAD  A 480 ( 4.8A)
FAD  A 480 (-4.4A)
FAD  A 480 (-3.9A)
 1.18A 5fhrA-1v59A:
3.2		 5fhrA-1v59A:
17.05
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.
1x44 MYOSIN-BINDING
PROTEIN C, SLOW-TYPE

(Homo sapiens) 		PF07679
(I-set) 		4 SER A  93
GLU A  78
SER A  88
ASP A  16
 None
 1.49A 5fhrA-1x44A:
0.0		 5fhrA-1x44A:
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.
1zy8 DIHYDROLIPOYL
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A  60
GLU A 192
TYR A 359
SER A 168
 None
FAD  A4750 ( 4.3A)
FAD  A4750 (-4.4A)
FAD  A4750 ( 4.0A)
 1.05A 5fhrA-1zy8A:
undetectable		 5fhrA-1zy8A:
18.68
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.
2bji INOSITOL-1(OR
4)-MONOPHOSPHATASE

(Bos taurus) 		PF00459
(Inositol_P) 		4 SER A1079
GLU A1070
SER A1037
ASP A1274
 None
MG  A2279 ( 2.6A)
None
None
 1.27A 5fhrA-2bjiA:
undetectable		 5fhrA-2bjiA:
19.57
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.
2eek TRYPSIN-1

(Gadus morhua) 		PF00089
(Trypsin) 		4 SER A 171
GLU A 186
TYR A 184
ASP A 167
 None
 1.32A 5fhrA-2eekA:
undetectable		 5fhrA-2eekA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ell ACIDIC LEUCINE-RICH
NUCLEAR
PHOSPHOPROTEIN 32
FAMILY MEMBER B

(Homo sapiens) 		PF14580
(LRR_9) 		4 SER A 124
GLU A 161
TYR A 155
ASP A 126
 None
 1.48A 5fhrA-2ellA:
undetectable		 5fhrA-2ellA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ihm DNA POLYMERASE MU

(Mus musculus) 		PF10391
(DNA_pol_lambd_f)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm) 		4 SER A 188
GLU A 445
TYR A 141
SER A 178
 None
 1.41A 5fhrA-2ihmA:
undetectable		 5fhrA-2ihmA:
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.
2jjp CYTOCHROME P450
113A1

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		4 GLU A 280
TYR A 284
SER A 338
ASP A 328
 None
None
SO4  A 415 (-3.3A)
None
 1.45A 5fhrA-2jjpA:
undetectable		 5fhrA-2jjpA:
20.06
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.
2jky HYPOXANTHINE-GUANINE
PHOSPHORIBOSYLTRANSF
ERASE

(Saccharomyces
cerevisiae) 		PF00156
(Pribosyltran) 		4 SER A  67
GLU A 194
TYR A 191
SER A  74
 MG  A 302 ( 3.8A)
5GP  A 300 (-2.7A)
5GP  A 300 (-4.6A)
None
 1.19A 5fhrA-2jkyA:
undetectable		 5fhrA-2jkyA:
21.90
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.
2ml3 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 6

(Azotobacter
vinelandii) 		PF00353
(HemolysinCabind) 		4 GLU A 138
TYR A 124
SER A  75
ASP A  82
 None
None
None
CA  A 205 (-2.2A)
 1.48A 5fhrA-2ml3A:
undetectable		 5fhrA-2ml3A:
25.22
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.
2v95 CORTICOSTEROID-BINDI
NG GLOBULIN

(Rattus
norvegicus) 		PF00079
(Serpin) 		4 SER A  89
TYR A  81
SER A  44
ASP A 358
 None
 1.25A 5fhrA-2v95A:
undetectable		 5fhrA-2v95A:
18.67
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.
2w8d PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE 2

(Bacillus
subtilis) 		PF00884
(Sulfatase) 		4 SER A 315
GLU A 359
TYR A 356
ASP A 299
 None
 1.49A 5fhrA-2w8dA:
undetectable		 5fhrA-2w8dA:
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.
2whl BETA-MANNANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		4 SER A 266
GLU A  45
SER A  37
ASP A 268
 None
 1.29A 5fhrA-2whlA:
undetectable		 5fhrA-2whlA:
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.
2wkp NPH1-1, RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		4 GLU A 699
TYR A 682
SER A 701
ASP A 664
 None
None
GTP  A1724 (-3.6A)
None
 1.43A 5fhrA-2wkpA:
undetectable		 5fhrA-2wkpA:
20.06
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		4 SER A 208
GLU A 156
TYR A  69
SER A 217
 CA  A1447 (-4.7A)
None
None
None
 1.26A 5fhrA-2xfgA:
undetectable		 5fhrA-2xfgA:
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.
3brz TODX

(Pseudomonas
putida) 		PF03349
(Toluene_X) 		4 SER A 280
TYR A   9
SER A 355
ASP A   5
 None
 1.47A 5fhrA-3brzA:
undetectable		 5fhrA-3brzA:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		4 SER A  72
GLU A  90
SER A 119
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.1A)
MG  A 300 (-2.4A)
 0.22A 5fhrA-3bwmA:
34.3		 5fhrA-3bwmA:
80.75
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.
3fbq CONSERVED DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13786
(DUF4179) 		4 SER A 145
GLU A 150
SER A 109
ASP A 113
 None
 1.50A 5fhrA-3fbqA:
undetectable		 5fhrA-3fbqA:
19.41
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.
3fha ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE

(Glutamicibacter
protophormiae) 		PF03644
(Glyco_hydro_85) 		4 SER A  57
GLU A 318
TYR A  83
SER A 307
 None
 1.42A 5fhrA-3fhaA:
undetectable		 5fhrA-3fhaA:
16.61
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.
3gfv UNCHARACTERIZED ABC
TRANSPORTER
SOLUTE-BINDING
PROTEIN YCLQ

(Bacillus
subtilis) 		PF01497
(Peripla_BP_2) 		4 SER A 245
TYR A 275
SER A 217
ASP A 181
 None
PO4  A 304 (-4.5A)
None
None
 1.34A 5fhrA-3gfvA:
undetectable		 5fhrA-3gfvA:
22.78
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.
3icv LIPASE B

(Moesziomyces
antarcticus) 		no annotation 4 SER A 261
TYR A 169
SER A 229
ASP A 221
 None
None
NAG  A 401 (-2.5A)
None
 1.48A 5fhrA-3icvA:
undetectable		 5fhrA-3icvA:
22.09
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.
3jwe MGLL PROTEIN

(Homo sapiens) 		PF12146
(Hydrolase_4) 		4 SER A 156
GLU A 284
SER A 192
ASP A 249
 None
 1.49A 5fhrA-3jweA:
undetectable		 5fhrA-3jweA:
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.
3lad DIHYDROLIPOAMIDE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A  63
GLU A 194
TYR A 357
SER A 170
 None
None
FAD  A 480 (-4.7A)
FAD  A 480 ( 4.1A)
 1.17A 5fhrA-3ladA:
undetectable		 5fhrA-3ladA:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mtw L-ARGININE
CARBOXYPEPTIDASE
CC2672

(Caulobacter
vibrioides) 		PF01979
(Amidohydro_1) 		4 SER A 274
TYR A 363
SER A 373
ASP A 294
 None
SO4  A   5 (-4.6A)
None
M3R  A 430 (-3.2A)
 1.39A 5fhrA-3mtwA:
undetectable		 5fhrA-3mtwA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum) 		PF00374
(NiFeSe_Hases) 		4 SER B1385
GLU B1527
SER B1374
ASP B1518
 None
 1.49A 5fhrA-3myrB:
undetectable		 5fhrA-3myrB:
17.21
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.
3myr HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA
NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum;
Allochromatium
vinosum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
PF00374
(NiFeSe_Hases) 		4 SER A 204
GLU A 208
SER B1230
ASP A 206
 None
 1.35A 5fhrA-3myrA:
undetectable		 5fhrA-3myrA:
21.45
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.
3n6z PUTATIVE
IMMUNOGLOBULIN A1
PROTEASE

(Bacteroides
ovatus) 		no annotation 4 SER A 107
TYR A 171
SER A 198
ASP A 136
 None
GOL  A   4 (-3.7A)
GOL  A   5 (-3.5A)
None
 1.44A 5fhrA-3n6zA:
undetectable		 5fhrA-3n6zA:
20.22
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.
3q48 CHAPERONE CUPB2

(Pseudomonas
aeruginosa) 		PF00345
(PapD_N)
PF02753
(PapD_C) 		4 GLU A 111
TYR A 184
SER A 151
ASP A 109
 None
 1.45A 5fhrA-3q48A:
undetectable		 5fhrA-3q48A:
19.57
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.
3qpf PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF06824
(Glyco_hydro_125) 		4 SER A 348
GLU A 288
SER A 212
ASP A 219
 None
 1.36A 5fhrA-3qpfA:
undetectable		 5fhrA-3qpfA:
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.
3t7v METHYLORNITHINE
SYNTHASE PYLB

(Methanosarcina
barkeri) 		PF04055
(Radical_SAM) 		4 SER A 222
GLU A 171
TYR A 169
SER A  76
 None
SAM  A 992 (-2.8A)
SAM  A 992 ( 4.6A)
None
 1.44A 5fhrA-3t7vA:
undetectable		 5fhrA-3t7vA:
22.73
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.
3urh DIHYDROLIPOYL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A  56
GLU A 189
TYR A 354
SER A 165
 None
FAD  A 500 ( 4.5A)
FAD  A 500 (-4.5A)
FAD  A 500 (-3.5A)
 1.11A 5fhrA-3urhA:
undetectable		 5fhrA-3urhA:
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.
3us8 ISOCITRATE
DEHYDROGENASE [NADP]

(Sinorhizobium
meliloti) 		PF00180
(Iso_dh) 		4 GLU A  12
TYR A  41
SER A 330
ASP A  28
 None
 1.04A 5fhrA-3us8A:
undetectable		 5fhrA-3us8A:
20.20
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.
3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 SER A  49
TYR A  93
SER A 263
ASP A 324
 None
 1.44A 5fhrA-3va6A:
undetectable		 5fhrA-3va6A:
14.99
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.
3wcy INTERFERON
ALPHA/BETA RECEPTOR
1

(Mus musculus) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		4 SER A 245
GLU A 106
SER A 103
ASP A 126
 None
 1.30A 5fhrA-3wcyA:
undetectable		 5fhrA-3wcyA:
19.29
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.
4bwr PROTEIN
CORRESPONDING TO
LOCUS C5321 FROM
CFT073 E.COLI STRAIN

(Escherichia
coli) 		PF08238
(Sel1) 		4 SER A 219
TYR A 240
SER A 232
ASP A 204
 None
EDO  A1494 (-3.9A)
EDO  A1493 ( 3.7A)
None
 1.26A 5fhrA-4bwrA:
undetectable		 5fhrA-4bwrA:
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.
4doe 1,4-BETA-GLUCANASE

(Caldicellulosiruptor
bescii) 		PF00759
(Glyco_hydro_9) 		4 SER A 229
GLU A 177
TYR A  90
SER A 238
 EDO  A 522 (-3.3A)
None
None
None
 1.24A 5fhrA-4doeA:
undetectable		 5fhrA-4doeA:
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.
4dqv PROBABLE PEPTIDE
SYNTHETASE NRP
(PEPTIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF07993
(NAD_binding_4) 		4 GLU A 236
TYR A 190
SER A 215
ASP A 195
 None
 1.28A 5fhrA-4dqvA:
6.7		 5fhrA-4dqvA:
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 GLU A 297
TYR A 296
SER A 283
ASP A1166
 None
 1.45A 5fhrA-4f4cA:
undetectable		 5fhrA-4f4cA:
10.82
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 GLU A 297
TYR A 296
SER A 284
ASP A1166
 None
 1.19A 5fhrA-4f4cA:
undetectable		 5fhrA-4f4cA:
10.82
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.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		4 GLU A  15
TYR A  44
SER A 335
ASP A  31
 None
 1.07A 5fhrA-4hcxA:
undetectable		 5fhrA-4hcxA:
20.00
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.
4hum MULTIDRUG EFFLUX
PROTEIN
PROTEIN B

(Neisseria
gonorrhoeae;
Escherichia
coli) 		PF01554
(MatE)
PF00041
(fn3) 		4 SER B  55
GLU B   9
SER A 460
ASP B  23
 None
 1.18A 5fhrA-4humB:
undetectable		 5fhrA-4humB:
17.84
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.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 SER A 205
TYR A 165
SER A 139
ASP A 101
 None
 1.02A 5fhrA-4jcmA:
undetectable		 5fhrA-4jcmA:
15.23
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.
4oue PUTATIVE LIPOPROTEIN

(Bacteroides
thetaiotaomicron) 		PF00754
(F5_F8_type_C)
PF01120
(Alpha_L_fucos) 		4 SER A 114
TYR A 110
SER A 156
ASP A 112
 None
 1.37A 5fhrA-4oueA:
undetectable		 5fhrA-4oueA:
19.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 SER A 115
GLU A 133
TYR A 138
SER A 162
ASP A 184
 None
2F6  A 301 (-2.7A)
None
2F6  A 301 (-3.2A)
None
 0.68A 5fhrA-4p58A:
29.6		 5fhrA-4p58A:
97.17
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.
4pmw DIS3-LIKE
EXONUCLEASE 2

(Mus musculus) 		PF00773
(RNB)
PF17216
(Rrp44_CSD1) 		4 SER A 641
TYR A 687
SER A 617
ASP A 631
 None
 1.49A 5fhrA-4pmwA:
undetectable		 5fhrA-4pmwA:
13.60
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		4 GLU A 531
TYR A 528
SER A 541
ASP A 545
 None
None
None
ZN  A1901 (-3.4A)
 1.44A 5fhrA-4r04A:
undetectable		 5fhrA-4r04A:
7.58
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.
4r0v FE-HYDROGENASE

(Chlamydomonas
reinhardtii) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C) 		4 SER A 230
GLU A 178
TYR A 485
SER A 180
 None
 1.31A 5fhrA-4r0vA:
undetectable		 5fhrA-4r0vA:
16.70
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.
4rl4 GTP CYCLOHYDROLASE-2

(Helicobacter
pylori) 		PF00925
(GTP_cyclohydro2) 		4 SER A  63
GLU A  92
SER A  53
ASP A  67
 None
None
PPV  A 201 ( 4.8A)
None
 1.46A 5fhrA-4rl4A:
undetectable		 5fhrA-4rl4A:
21.62
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.
4zv7 LIPASE B

(Moesziomyces
antarcticus) 		no annotation 4 SER A 227
TYR A 135
SER A 195
ASP A 187
 None
 1.43A 5fhrA-4zv7A:
undetectable		 5fhrA-4zv7A:
20.12
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.
5c8s GUANINE-N7
METHYLTRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06471
(NSP11) 		4 SER B 220
TYR B 224
SER B 171
ASP B 234
 None
 1.38A 5fhrA-5c8sB:
undetectable		 5fhrA-5c8sB:
16.37
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.
5ftz CHITIN BINDING
PROTEIN

(Streptomyces
lividans) 		PF03067
(LPMO_10) 		4 SER A 143
TYR A 128
SER A  79
ASP A  74
 None
 1.38A 5fhrA-5ftzA:
undetectable		 5fhrA-5ftzA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzh RAS-RELATED C3
BOTULINUM TOXIN
SUBSTRATE
1,NPH1-1,RAS-RELATED
C3 BOTULINUM TOXIN
SUBSTRATE 1

(Avena sativa;
Homo sapiens) 		PF00071
(Ras)
PF13426
(PAS_9) 		4 GLU A 305
TYR A 288
SER A 307
ASP A 270
 None
None
GTP  A 401 (-3.5A)
None
 1.46A 5fhrA-5hzhA:
undetectable		 5fhrA-5hzhA:
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.
5tr3 DIHYDROLIPOYL
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 SER A  64
GLU A 195
TYR A 358
SER A 171
 None
FAD  A 501 ( 4.6A)
FAD  A 501 (-4.1A)
FAD  A 501 (-3.5A)
 1.09A 5fhrA-5tr3A:
undetectable		 5fhrA-5tr3A:
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.
5u89 AMINO ACID
ADENYLATION DOMAIN
PROTEIN

(Geobacillus sp.
Y4.1MC1) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF13193
(AMP-binding_C) 		4 SER A 846
TYR A 747
SER A 730
ASP A 848
 None
MJ8  A1601 (-4.7A)
None
None
 1.40A 5fhrA-5u89A:
undetectable		 5fhrA-5u89A:
12.12
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.
5us1 AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE

(Providencia
stuartii) 		PF13673
(Acetyltransf_10) 		4 SER A 116
GLU A  79
TYR A  77
SER A  34
 8MM  A 201 (-3.7A)
8MM  A 201 (-4.5A)
None
None
 1.43A 5fhrA-5us1A:
undetectable		 5fhrA-5us1A:
21.19
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.
5wdr RAS PROTEIN

(Choanoflagellida) 		PF00071
(Ras) 		4 SER A  89
GLU A 144
SER A 146
ASP A  85
 None
None
GNP  A 203 (-3.5A)
None
 1.37A 5fhrA-5wdrA:
undetectable		 5fhrA-5wdrA:
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.
5y4g AMBP3

(Fischerella
ambigua) 		no annotation 4 GLU A 207
TYR A 168
SER A 287
ASP A 277
 None
 1.05A 5fhrA-5y4gA:
undetectable		 5fhrA-5y4gA:
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.
6bz0 DIHYDROLIPOYL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 4 SER A  63
GLU A 194
TYR A 357
SER A 170
 None
FAD  A 501 ( 4.5A)
FAD  A 501 (-4.3A)
CL  A 502 ( 2.9A)
 1.15A 5fhrA-6bz0A:
undetectable		 5fhrA-6bz0A:
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.
6eua ANGIOPOIETIN-RELATED
PROTEIN 3

(Homo sapiens) 		no annotation 4 SER A 280
GLU A 346
TYR A 344
SER A 348
 None
 1.41A 5fhrA-6euaA:
undetectable		 5fhrA-6euaA:
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.
6gct NEUTRAL AMINO ACID
TRANSPORTER B(0)

(Homo sapiens) 		no annotation 4 SER A 454
GLU A 291
SER A  87
ASP A 451
 None
 1.32A 5fhrA-6gctA:
undetectable		 5fhrA-6gctA:
undetectable