SIMILAR PATTERNS OF AMINO ACIDS FOR 5EEI_A_SHHA2004

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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		11 PRO A  22
HIS A 131
HIS A 132
GLY A 140
PHE A 141
ASP A 168
HIS A 170
PHE A 198
ASP A 258
LEU A 265
TYR A 297
 TSN  A 502 (-4.4A)
TSN  A 502 (-4.0A)
TSN  A 502 (-3.9A)
TSN  A 502 ( 3.9A)
TSN  A 502 (-3.7A)
ZN  A 501 ( 2.3A)
ZN  A 501 ( 3.1A)
TSN  A 502 ( 3.9A)
ZN  A 501 ( 2.5A)
TSN  A 502 (-4.0A)
TSN  A 502 (-4.3A)
 0.45A 5eeiA-1c3rA:
40.7		 5eeiA-1c3rA:
27.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 HIS A 504
GLY A 546
HIS A 540
ASP A 552
LEU A 211
 FAD  A 600 (-3.8A)
FUM  A 700 (-3.6A)
None
None
None
 1.21A 5eeiA-1d4eA:
undetectable		 5eeiA-1d4eA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 SER A 280
HIS A 255
GLY A 276
HIS A 252
ASP A 169
 None
None
None
ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
 1.31A 5eeiA-1kq3A:
undetectable		 5eeiA-1kq3A:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qwy PEPTIDOGLYCAN
HYDROLASE

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		5 HIS A 291
HIS A 260
ASP A 214
HIS A 293
TYR A 204
 None
None
ZN  A 400 (-2.2A)
ZN  A 400 (-3.1A)
None
 1.17A 5eeiA-1qwyA:
undetectable		 5eeiA-1qwyA:
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.
1qwy PEPTIDOGLYCAN
HYDROLASE

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		5 HIS A 291
HIS A 260
GLY A 241
ASP A 214
HIS A 293
 None
None
None
ZN  A 400 (-2.2A)
ZN  A 400 (-3.1A)
 1.25A 5eeiA-1qwyA:
undetectable		 5eeiA-1qwyA:
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.
1ral 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 PRO A 252
SER A 222
HIS A 194
GLY A 220
LEU A 241
 None
 1.34A 5eeiA-1ralA:
undetectable		 5eeiA-1ralA:
19.42
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.
1z3z DIALKYLGLYCINE
DECARBOXYLASE

(Burkholderia
cepacia) 		PF00202
(Aminotran_3) 		5 PRO A 170
HIS A 139
GLY A 133
PHE A 134
LEU A 221
 None
 1.28A 5eeiA-1z3zA:
2.7		 5eeiA-1z3zA:
24.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		10 HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 180
HIS A 182
PHE A 208
ASP A 268
LEU A 275
TYR A 312
 3YP  A1452 (-3.3A)
3YP  A1452 (-3.4A)
3YP  A1452 (-3.4A)
3YP  A1452 (-3.8A)
ZN  A1451 (-1.9A)
ZN  A1451 (-3.3A)
3YP  A1452 (-3.6A)
ZN  A1451 ( 2.5A)
3YP  A1452 ( 4.6A)
3YP  A1452 (-4.6A)
 0.45A 5eeiA-1zz3A:
50.4		 5eeiA-1zz3A:
33.42
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.
2a7m N-ACYL HOMOSERINE
LACTONE HYDROLASE

(Bacillus
thuringiensis) 		PF00753
(Lactamase_B) 		5 HIS A 104
HIS A 106
PHE A 107
ASP A 191
LEU A  16
 ZN  A 252 (-3.3A)
ZN  A 252 ( 3.2A)
GOL  A 805 ( 4.4A)
ZN  A 251 ( 2.4A)
GOL  A 805 (-4.9A)
 1.20A 5eeiA-2a7mA:
undetectable		 5eeiA-2a7mA:
20.59
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.
2amx ADENOSINE DEAMINASE

(Plasmodium
yoelii) 		PF00962
(A_deaminase) 		5 HIS A  55
HIS A 239
GLY A 213
ASP A 323
ASP A 324
 CO  A1000 (-3.3A)
CO  A1000 (-3.4A)
None
CO  A1000 (-2.7A)
None
 1.26A 5eeiA-2amxA:
undetectable		 5eeiA-2amxA:
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.
2cvz 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 SER A 117
GLY A 119
ASP A 272
HIS A 273
LEU A 232
 None
NDP  A1302 (-3.6A)
None
None
None
 1.43A 5eeiA-2cvzA:
undetectable		 5eeiA-2cvzA:
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.
2dre WATER-SOLUBLE
CHLOROPHYLL PROTEIN

(Lepidium
virginicum) 		PF00197
(Kunitz_legume) 		5 PRO A  25
SER A 149
GLY A 148
PHE A 171
LEU A  34
 None
 1.41A 5eeiA-2dreA:
undetectable		 5eeiA-2dreA:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fn9 RIBOSE ABC
TRANSPORTER,
PERIPLASMIC
RIBOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13407
(Peripla_BP_4) 		5 GLY A 114
PHE A 117
ASP A 157
HIS A 153
TYR A 133
 None
 1.26A 5eeiA-2fn9A:
2.7		 5eeiA-2fn9A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g8g CAPSID

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		5 PRO A 519
HIS A 415
GLY A 635
ASP A 609
LEU A 538
 None
 1.28A 5eeiA-2g8gA:
undetectable		 5eeiA-2g8gA:
19.11
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.
2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 SER A 294
HIS A  98
ASP A  75
HIS A  97
ASP A  15
 2PN  A2001 ( 4.1A)
SO4  A4003 ( 3.8A)
MG  A1001 ( 2.4A)
MG  A1002 ( 3.5A)
MG  A1002 ( 3.3A)
 1.36A 5eeiA-2hawA:
undetectable		 5eeiA-2hawA:
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.
2jdx PROTEIN
(L-ARGININE:GLYCINE
AMIDINOTRANSFERASE)

(Homo sapiens) 		no annotation 5 PRO A  89
HIS A 303
GLY A 402
ASP A 254
LEU A 163
 None
 1.35A 5eeiA-2jdxA:
undetectable		 5eeiA-2jdxA:
21.63
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.
2k4w SUPEROXIDE DISMUTASE
[CU-ZN]

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 PRO A 140
HIS A  50
GLY A  72
HIS A  48
LEU A 141
 None
CU1  A 155 (-3.3A)
None
CU1  A 155 (-3.1A)
None
 1.35A 5eeiA-2k4wA:
undetectable		 5eeiA-2k4wA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nnf SULFUR
COVALENTLY-BINDING
PROTEIN

(Chlorobium
limicola) 		PF13501
(SoxY) 		5 PRO A  69
SER A  60
PHE A  62
PHE A  20
ASP A  13
 None
 1.27A 5eeiA-2nnfA:
undetectable		 5eeiA-2nnfA:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 PRO A  36
GLY A  22
PHE A  23
ASP A  68
LEU A  71
 PRO  A  36 ( 1.1A)
GLY  A  22 ( 0.0A)
PHE  A  23 ( 1.3A)
ASP  A  68 ( 0.5A)
LEU  A  71 ( 0.6A)
 1.24A 5eeiA-2nvvA:
undetectable		 5eeiA-2nvvA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p97 HYPOTHETICAL PROTEIN

(Trichormus
variabilis) 		PF14597
(Lactamase_B_5) 		5 SER A  11
HIS A  66
GLY A  25
PHE A  26
ASP A 136
 None
MG  A 201 (-3.4A)
None
None
MG  A 201 (-2.4A)
 1.31A 5eeiA-2p97A:
undetectable		 5eeiA-2p97A:
19.10
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.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22)
PF01163
(RIO1) 		5 GLY A 436
PHE A 506
HIS A 443
ASP A 483
LEU A 484
 None
 1.46A 5eeiA-2vwbA:
undetectable		 5eeiA-2vwbA:
20.33
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.
2y7i STM4351

(Salmonella
enterica) 		PF00497
(SBP_bac_3) 		5 PRO A  35
HIS A 140
GLY A 176
ASP A  91
TYR A  36
 None
ARG  A1245 (-4.3A)
None
ARG  A1245 (-3.7A)
None
 1.32A 5eeiA-2y7iA:
undetectable		 5eeiA-2y7iA:
19.74
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.
2yg6 PUTRESCINE OXIDASE

(Rhodococcus
erythropolis) 		PF01593
(Amino_oxidase) 		5 SER A 411
GLY A 408
ASP A 144
PHE A 399
LEU A 188
 None
 1.25A 5eeiA-2yg6A:
undetectable		 5eeiA-2yg6A:
21.48
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.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE

(Shewanella sp.
AP1) 		PF00245
(Alk_phosphatase) 		5 SER A 360
HIS A 270
HIS A 362
GLY A 361
ASP A   9
 None
ZN  A1001 (-4.8A)
ZN  A1001 ( 3.3A)
None
SO4  A3004 ( 4.5A)
 1.10A 5eeiA-3a52A:
undetectable		 5eeiA-3a52A:
22.14
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.
3bv6 METAL-DEPENDENT
HYDROLASE

(Vibrio cholerae) 		PF13483
(Lactamase_B_3) 		5 SER A 225
GLY A 226
ASP A 121
HIS A 282
PHE A 281
 None
None
FE  A 402 (-2.6A)
FE  A 402 (-3.4A)
None
 1.27A 5eeiA-3bv6A:
undetectable		 5eeiA-3bv6A:
21.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c10 HISTONE DEACETYLASE
7A

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		10 PRO A 542
HIS A 669
HIS A 670
GLY A 678
PHE A 679
ASP A 707
HIS A 709
PHE A 738
ASP A 801
LEU A 810
 TSN  A 301 ( 4.5A)
TSN  A 301 (-3.9A)
TSN  A 301 (-3.8A)
TSN  A 301 ( 3.7A)
TSN  A 301 (-3.9A)
ZN  A 101 (-2.1A)
ZN  A 101 (-3.1A)
TSN  A 301 ( 4.0A)
ZN  A 101 ( 2.5A)
TSN  A 301 (-4.2A)
 0.56A 5eeiA-3c10A:
56.9		 5eeiA-3c10A:
41.84
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.
3csq MORPHOGENESIS
PROTEIN 1

(Bacillus virus
phi29) 		no annotation 5 SER A 220
HIS A 278
HIS A 247
ASP A 195
HIS A 280
 None
None
None
ZN  A 335 (-2.1A)
ZN  A 335 (-3.1A)
 1.16A 5eeiA-3csqA:
undetectable		 5eeiA-3csqA:
20.73
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.
3ewd ADENOSINE DEAMINASE

(Plasmodium
vivax) 		PF00962
(A_deaminase) 		5 HIS A  42
HIS A 225
GLY A 199
ASP A 309
ASP A 310
 ZN  A 371 (-3.3A)
ZN  A 371 ( 3.4A)
MCF  A 372 ( 3.9A)
MCF  A 372 ( 2.4A)
MCF  A 372 (-2.9A)
 1.24A 5eeiA-3ewdA:
undetectable		 5eeiA-3ewdA:
21.69
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.
3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE

(Pseudomonas
putida) 		PF12697
(Abhydrolase_6) 		5 PRO A  53
SER A  93
GLY A  97
ASP A  76
LEU A  77
 None
 1.15A 5eeiA-3ibtA:
undetectable		 5eeiA-3ibtA:
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.
3ive NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 PRO A 395
SER A  87
HIS A  34
GLY A  83
HIS A 112
 None
None
MN  A 601 ( 3.4A)
None
CTN  A 603 ( 3.8A)
 1.35A 5eeiA-3iveA:
undetectable		 5eeiA-3iveA:
20.61
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.
3l91 ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ
SUBUNIT BETA

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		5 PRO B 708
GLY B 263
PHE B 276
HIS B 252
ASP B 260
 EDO  B 908 ( 4.0A)
None
None
None
EDO  B 906 (-4.6A)
 1.36A 5eeiA-3l91B:
undetectable		 5eeiA-3l91B:
22.14
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 PRO A 683
HIS A 213
HIS A 218
PHE A 216
LEU A 591
 None
 1.09A 5eeiA-3lppA:
undetectable		 5eeiA-3lppA:
16.63
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A 146
HIS A 183
ASP A 269
LEU A 276
TYR A 308
 LLX  A 400 (-3.8A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.3A)
LLX  A 400 (-4.4A)
 1.05A 5eeiA-3maxA:
43.4		 5eeiA-3maxA:
28.07
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		11 PRO A  34
HIS A 145
HIS A 146
GLY A 154
PHE A 155
ASP A 181
HIS A 183
PHE A 210
ASP A 269
LEU A 276
TYR A 308
 None
LLX  A 400 (-4.0A)
LLX  A 400 (-3.8A)
LLX  A 400 (-3.6A)
LLX  A 400 (-4.1A)
ZN  A 379 (-2.3A)
ZN  A 379 (-3.2A)
LLX  A 400 (-3.6A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.3A)
LLX  A 400 (-4.4A)
 0.50A 5eeiA-3maxA:
43.4		 5eeiA-3maxA:
28.07
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 SER A 153
HIS A 145
HIS A 183
ASP A 269
TYR A 308
 None
LLX  A 400 (-4.0A)
ZN  A 379 (-3.2A)
ZN  A 379 ( 2.5A)
LLX  A 400 (-4.4A)
 1.08A 5eeiA-3maxA:
43.4		 5eeiA-3maxA:
28.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		5 SER A  19
HIS A 157
HIS A 194
ASP A 281
TYR A 320
 IOD  A 345 ( 3.4A)
SO4  A 401 (-3.4A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
 1.12A 5eeiA-3menA:
40.4		 5eeiA-3menA:
31.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3men ACETYLPOLYAMINE
AMINOHYDROLASE

(Burkholderia
pseudomallei) 		PF00850
(Hist_deacetyl) 		9 SER A 115
HIS A 156
HIS A 157
GLY A 165
PHE A 166
ASP A 192
HIS A 194
ASP A 281
TYR A 320
 IOD  A 347 (-3.3A)
SO4  A 401 (-3.6A)
SO4  A 401 (-3.4A)
SO4  A 401 (-4.9A)
None
ZN  A 400 (-2.3A)
ZN  A 400 (-3.3A)
ZN  A 400 ( 2.6A)
SO4  A 401 (-4.5A)
 0.42A 5eeiA-3menA:
40.4		 5eeiA-3menA:
31.35
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.
3nur AMIDOHYDROLASE

(Staphylococcus
aureus) 		PF04909
(Amidohydro_2) 		5 PRO A 195
SER A  98
HIS A  30
GLY A  95
HIS A 192
 None
None
CA  A 358 (-3.5A)
None
CA  A 358 (-3.5A)
 1.41A 5eeiA-3nurA:
undetectable		 5eeiA-3nurA:
21.07
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.
3nyy PUTATIVE
GLYCYL-GLYCINE
ENDOPEPTIDASE LYTM

([Ruminococcus]
gnavus) 		PF01551
(Peptidase_M23) 		5 HIS A 243
HIS A 204
GLY A 186
ASP A 156
HIS A 245
 None
 1.27A 5eeiA-3nyyA:
undetectable		 5eeiA-3nyyA:
21.66
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.
3pao ADENOSINE DEAMINASE

(Pseudomonas
aeruginosa) 		PF00962
(A_deaminase) 		5 HIS A  16
HIS A 196
ASP A 277
ASP A 278
TYR A  63
 ZN  A 327 (-3.4A)
ZN  A 327 ( 3.5A)
ZN  A 327 ( 2.6A)
ADE  A 328 (-2.8A)
ADE  A 328 (-4.0A)
 1.28A 5eeiA-3paoA:
undetectable		 5eeiA-3paoA:
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.
3q9c ACETYLPOLYAMINE
AMIDOHYDROLASE

(Mycoplana
ramosa) 		PF00850
(Hist_deacetyl) 		7 HIS A 158
GLY A 167
ASP A 195
HIS A 197
PHE A 225
ASP A 284
TYR A 323
 Q9C  A 401 (-4.2A)
Q9C  A 401 (-3.7A)
ZN  A 343 (-2.3A)
ZN  A 343 (-3.4A)
Q9C  A 401 (-3.8A)
ZN  A 343 (-2.7A)
None
 0.30A 5eeiA-3q9cA:
41.4		 5eeiA-3q9cA:
27.44
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.
3rys ADENOSINE DEAMINASE
1

(Paenarthrobacter
aurescens) 		PF00962
(A_deaminase) 		5 HIS A  19
HIS A 199
ASP A 280
ASP A 281
TYR A  66
 ZN  A 344 (-3.5A)
ZN  A 344 ( 3.4A)
ZN  A 344 ( 2.5A)
ADE  A 345 (-2.8A)
ADE  A 345 (-4.0A)
 1.25A 5eeiA-3rysA:
undetectable		 5eeiA-3rysA:
21.98
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.
3sdp IRON SUPEROXIDE
DISMUTASE

(Pseudomonas
putida) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 PRO A  46
SER A  60
GLY A  62
PHE A  65
LEU A  41
 None
 1.45A 5eeiA-3sdpA:
undetectable		 5eeiA-3sdpA:
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 PRO A 315
SER A 192
GLY A 195
ASP A 287
LEU A 289
 None
 1.38A 5eeiA-3wdjA:
undetectable		 5eeiA-3wdjA:
17.80
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 SER A 366
HIS A  74
HIS A 142
GLY A 367
ASP A  78
 None
ZN  A1557 (-3.0A)
ZN  A1557 (-3.3A)
None
ZN  A1556 (-2.5A)
 1.11A 5eeiA-3zq4A:
undetectable		 5eeiA-3zq4A:
20.29
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		11 PRO A  23
HIS A 134
HIS A 135
GLY A 143
PHE A 144
ASP A 170
HIS A 172
PHE A 200
ASP A 259
LEU A 266
TYR A 298
 None
ACT  A 501 (-4.0A)
ACT  A 501 (-3.7A)
None
None
ZN  A 500 (-2.2A)
ZN  A 500 (-3.1A)
None
ZN  A 500 ( 2.4A)
None
ACT  A 501 (-4.7A)
 0.44A 5eeiA-4a69A:
42.8		 5eeiA-4a69A:
26.04
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 PRO A  23
HIS A 135
HIS A 172
ASP A 259
LEU A 266
TYR A 298
 None
ACT  A 501 (-3.7A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
None
ACT  A 501 (-4.7A)
 1.09A 5eeiA-4a69A:
42.8		 5eeiA-4a69A:
26.04
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 SER A 142
HIS A 134
HIS A 172
ASP A 259
TYR A 298
 None
ACT  A 501 (-4.0A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.4A)
ACT  A 501 (-4.7A)
 1.06A 5eeiA-4a69A:
42.8		 5eeiA-4a69A:
26.04
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		11 PRO B  29
HIS B 140
HIS B 141
GLY B 149
PHE B 150
ASP B 176
HIS B 178
PHE B 205
ASP B 264
LEU B 271
TYR B 303
 None
ACT  B 601 (-3.7A)
ACT  B 601 (-3.8A)
None
None
ZN  B 600 (-2.2A)
ZN  B 600 (-3.3A)
None
ZN  B 600 ( 2.5A)
None
ACT  B 601 ( 4.7A)
 0.45A 5eeiA-4bkxB:
42.9		 5eeiA-4bkxB:
25.15
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 PRO B  29
HIS B 140
HIS B 178
ASP B 264
LEU B 271
TYR B 303
 None
ACT  B 601 (-3.7A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
None
ACT  B 601 ( 4.7A)
 1.16A 5eeiA-4bkxB:
42.9		 5eeiA-4bkxB:
25.15
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 SER B 148
HIS B 140
HIS B 178
ASP B 264
TYR B 303
 None
ACT  B 601 (-3.7A)
ZN  B 600 (-3.3A)
ZN  B 600 ( 2.5A)
ACT  B 601 ( 4.7A)
 1.19A 5eeiA-4bkxB:
42.9		 5eeiA-4bkxB:
25.15
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		9 HIS A 141
HIS A 142
GLY A 150
PHE A 151
ASP A 186
HIS A 188
PHE A 216
ASP A 285
TYR A 341
 B3N  A 700 (-3.9A)
B3N  A 700 (-3.7A)
GOL  A 800 ( 3.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
ZN  A 500 (-3.1A)
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 0.36A 5eeiA-4bz7A:
40.9		 5eeiA-4bz7A:
26.28
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 142
PHE A 151
HIS A 188
ASP A 285
TYR A 341
 B3N  A 700 (-3.7A)
B3N  A 700 (-4.2A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.09A 5eeiA-4bz7A:
40.9		 5eeiA-4bz7A:
26.28
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 HIS A 292
PHE A 216
ASP A 285
PHE A 151
ASP A 186
 None
B3N  A 700 ( 3.7A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.2A)
ZN  A 500 (-2.3A)
 0.92A 5eeiA-4bz7A:
40.9		 5eeiA-4bz7A:
26.28
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.
4bz7 HISTONE DEACETYLASE
8

(Schistosoma
mansoni) 		PF00850
(Hist_deacetyl) 		5 SER A 149
HIS A 141
HIS A 188
ASP A 285
TYR A 341
 GOL  A 800 (-3.7A)
B3N  A 700 (-3.9A)
ZN  A 500 (-3.1A)
ZN  A 500 ( 2.5A)
B3N  A 700 (-4.4A)
 1.11A 5eeiA-4bz7A:
40.9		 5eeiA-4bz7A:
26.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 PRO A 676
HIS A 802
HIS A 803
GLY A 811
ASP A 840
HIS A 842
PHE A 871
ASP A 934
LEU A 943
 None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
ZN  A2034 (-2.0A)
ZN  A2034 (-3.2A)
KEE  A2033 (-3.8A)
ZN  A2034 ( 2.4A)
None
 0.58A 5eeiA-4cbyA:
55.0		 5eeiA-4cbyA:
43.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		6 PRO A 676
HIS A 802
HIS A 803
GLY A 811
PHE A 812
PHE A 871
 None
KEE  A2033 (-3.8A)
KEE  A2033 (-4.0A)
KEE  A2033 ( 4.2A)
KEE  A2033 (-4.2A)
KEE  A2033 (-3.8A)
 0.63A 5eeiA-4cbyA:
55.0		 5eeiA-4cbyA:
43.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 PRO A 676
HIS A 803
HIS A 842
ASP A 934
LEU A 943
 None
KEE  A2033 (-4.0A)
ZN  A2034 (-3.2A)
ZN  A2034 ( 2.4A)
None
 1.28A 5eeiA-4cbyA:
55.0		 5eeiA-4cbyA:
43.69
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.
4fuu LEUCINE
AMINOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF04389
(Peptidase_M28) 		5 PRO A 290
SER A 152
GLY A 153
ASP A 273
HIS A 124
 None
None
None
None
UNL  A 401 ( 4.4A)
 1.45A 5eeiA-4fuuA:
undetectable		 5eeiA-4fuuA:
22.01
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.
4iwm UPF0135 PROTEIN
MJ0927

(Methanocaldococcus
jannaschii) 		PF01784
(NIF3) 		5 SER A 177
GLY A 178
HIS A  71
ASP A  50
LEU A  49
 None
 1.13A 5eeiA-4iwmA:
undetectable		 5eeiA-4iwmA:
20.17
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.
4j57 THIOREDOXIN
REDUCTASE 2

(Plasmodium
falciparum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A 243
HIS A 104
GLY A 103
ASP A 112
LEU A 111
 None
 1.37A 5eeiA-4j57A:
undetectable		 5eeiA-4j57A:
18.13
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.
4kw3 NS1

(Human bocavirus) 		no annotation 5 HIS A  73
GLY A  75
ASP A  71
HIS A 244
LEU A 246
 None
 1.44A 5eeiA-4kw3A:
undetectable		 5eeiA-4kw3A:
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.
4p9g 2,4'-DIHYDROXYACETOP
HENONE DIOXYGENASE

(Alcaligenes sp.) 		PF07883
(Cupin_2) 		5 PRO A  79
SER A 144
GLY A 146
ASP A 152
ASP A 149
 None
 1.26A 5eeiA-4p9gA:
undetectable		 5eeiA-4p9gA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qpb LYSOSTAPHIN

(Staphylococcus
simulans) 		PF01551
(Peptidase_M23) 		5 HIS A 360
HIS A 329
ASP A 283
HIS A 362
TYR A 270
 None
None
ZN  A 401 (-2.3A)
ZN  A 401 (-3.1A)
None
 1.11A 5eeiA-4qpbA:
undetectable		 5eeiA-4qpbA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qpb LYSOSTAPHIN

(Staphylococcus
simulans) 		PF01551
(Peptidase_M23) 		6 SER A 306
HIS A 360
HIS A 329
GLY A 310
ASP A 283
HIS A 362
 None
None
None
None
ZN  A 401 (-2.3A)
ZN  A 401 (-3.1A)
 1.41A 5eeiA-4qpbA:
undetectable		 5eeiA-4qpbA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 124
HIS A  66
GLY A  65
PHE A 125
TYR A 329
 None
ZN  A 401 ( 3.1A)
None
None
None
 1.46A 5eeiA-4w6zA:
2.6		 5eeiA-4w6zA:
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.
4z42 UREASE SUBUNIT ALPHA

(Yersinia
enterocolitica) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 HIS C 224
HIS C 251
GLY C 283
ASP C 226
LEU C 327
 NI  C 601 (-4.7A)
NI  C 601 (-3.3A)
None
None
None
 1.08A 5eeiA-4z42C:
undetectable		 5eeiA-4z42C:
20.24
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.
5a0t RIBONUCLEASE J

(Streptomyces
coelicolor) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 PRO A 397
HIS A  89
GLY A  26
ASP A 173
ASP A 205
 None
ZN  A1457 (-3.5A)
None
ZN  A1457 ( 2.7A)
None
 1.16A 5eeiA-5a0tA:
undetectable		 5eeiA-5a0tA:
22.24
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.
5avm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 HIS A 243
GLY A 246
ASP A  90
HIS A  86
ASP A  61
 None
 1.41A 5eeiA-5avmA:
undetectable		 5eeiA-5avmA:
21.71
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.
5bpx 2,4'-DIHYDROXYACETOP
HENONE DIOXYGENASE

(Alcaligenes sp.) 		PF07883
(Cupin_2) 		5 PRO A  79
SER A 144
GLY A 146
ASP A 152
ASP A 149
 None
 1.45A 5eeiA-5bpxA:
undetectable		 5eeiA-5bpxA:
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.
5d79 BERBERINE BRIDGE
ENZYME-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 PRO A  78
SER A 117
GLY A 115
ASP A  62
LEU A  61
 None
FAD  A 603 (-2.5A)
None
None
None
 1.34A 5eeiA-5d79A:
undetectable		 5eeiA-5d79A:
20.34
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 6 PRO B 501
HIS B 610
HIS B 651
ASP B 742
LEU B 749
TYR B 782
 TSN  B2501 (-4.8A)
TSN  B2501 (-3.8A)
ZN  B2502 (-3.2A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
 1.18A 5eeiA-5eduB:
62.8		 5eeiA-5eduB:
29.34
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 12 PRO B 501
SER B 568
HIS B 610
HIS B 611
GLY B 619
PHE B 620
ASP B 649
HIS B 651
PHE B 680
ASP B 742
LEU B 749
TYR B 782
 TSN  B2501 (-4.8A)
TSN  B2501 ( 4.3A)
TSN  B2501 (-3.8A)
TSN  B2501 (-3.9A)
TSN  B2501 ( 3.8A)
TSN  B2501 (-3.7A)
ZN  B2502 (-2.2A)
ZN  B2502 (-3.2A)
TSN  B2501 (-3.7A)
ZN  B2502 ( 2.7A)
TSN  B2501 (-4.2A)
TSN  B2501 (-4.2A)
 0.34A 5eeiA-5eduB:
62.8		 5eeiA-5eduB:
29.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 PRO A  83
HIS A 192
HIS A 232
ASP A 323
TYR A 363
 None
TSN  A2002 (-3.9A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 (-4.3A)
 1.03A 5eeiA-5eefA:
60.5		 5eeiA-5eefA:
47.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		10 PRO A  83
SER A 150
HIS A 192
HIS A 193
GLY A 201
PHE A 202
ASP A 230
HIS A 232
ASP A 323
TYR A 363
 None
TSN  A2002 (-3.6A)
TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
TSN  A2002 ( 3.8A)
TSN  A2002 (-3.9A)
ZN  A2001 (-2.3A)
ZN  A2001 (-3.1A)
ZN  A2001 ( 2.7A)
TSN  A2002 (-4.3A)
 0.42A 5eeiA-5eefA:
60.5		 5eeiA-5eefA:
47.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 6 PRO B 464
HIS B 573
HIS B 614
ASP B 705
LEU B 712
TYR B 745
 None
None
ZN  B 801 ( 3.2A)
ZN  B 801 (-2.6A)
None
None
 1.03A 5eeiA-5efnB:
69.6		 5eeiA-5efnB:
99.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 11 PRO B 464
SER B 531
HIS B 573
GLY B 582
PHE B 583
ASP B 612
HIS B 614
PHE B 643
ASP B 705
LEU B 712
TYR B 745
 None
None
None
None
None
ZN  B 801 ( 2.1A)
ZN  B 801 ( 3.2A)
None
ZN  B 801 (-2.6A)
None
None
 0.47A 5eeiA-5efnB:
69.6		 5eeiA-5efnB:
99.73
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.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 HIS A 310
GLY A 307
PHE A 228
LEU A 224
TYR A 221
 None
X2N  A 590 (-3.5A)
X2N  A 590 (-4.9A)
None
None
 1.24A 5eeiA-5fsaA:
undetectable		 5eeiA-5fsaA:
22.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		6 PRO A 464
HIS A 574
HIS A 614
ASP A 705
LEU A 712
TYR A 745
 None
E1Z  A1801 (-3.8A)
ZN  A1804 (-3.2A)
ZN  A1804 ( 2.5A)
None
E1Z  A1801 (-4.4A)
 0.97A 5eeiA-5g0hA:
68.2		 5eeiA-5g0hA:
48.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g0h HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		12 PRO A 464
SER A 531
HIS A 573
HIS A 574
GLY A 582
PHE A 583
ASP A 612
HIS A 614
PHE A 643
ASP A 705
LEU A 712
TYR A 745
 None
E1Z  A1801 ( 3.3A)
E1Z  A1801 (-3.9A)
E1Z  A1801 (-3.8A)
E1Z  A1801 (-3.6A)
E1Z  A1801 (-3.9A)
ZN  A1804 (-2.1A)
ZN  A1804 (-3.2A)
E1Z  A1801 (-3.6A)
ZN  A1804 ( 2.5A)
None
E1Z  A1801 (-4.4A)
 0.19A 5eeiA-5g0hA:
68.2		 5eeiA-5g0hA:
48.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		10 HIS A 143
HIS A 144
GLY A 152
PHE A 153
ASP A 181
HIS A 183
PHE A 209
ASP A 269
LEU A 276
TYR A 313
 6DK  A1375 (-4.1A)
6DK  A1375 (-3.9A)
6DK  A1375 (-3.9A)
6DK  A1375 ( 4.0A)
ZN  A1372 (-2.0A)
ZN  A1372 (-3.2A)
6DK  A1375 ( 4.0A)
ZN  A1372 ( 2.5A)
None
6DK  A1375 (-4.4A)
 0.36A 5eeiA-5g10A:
48.6		 5eeiA-5g10A:
30.73
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.
5gw8 HYPOTHETICAL
SECRETORY LIPASE
(FAMILY 3)

(Malassezia
globosa) 		PF01764
(Lipase_3) 		5 SER A 293
HIS A 170
GLY A 291
HIS A 281
ASP A 228
 NAG  A 403 (-3.4A)
None
None
None
None
 1.46A 5eeiA-5gw8A:
undetectable		 5eeiA-5gw8A:
20.21
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.
5i2b PEPTIDE DEFORMYLASE

(Burkholderia
ambifaria) 		PF01327
(Pep_deformylase) 		5 PRO A 152
GLY A 162
PHE A 161
PHE A 163
TYR A 151
 None
 1.44A 5eeiA-5i2bA:
undetectable		 5eeiA-5i2bA:
20.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		10 PRO A  21
HIS A 125
HIS A 126
GLY A 134
PHE A 135
ASP A 163
HIS A 165
ASP A 244
LEU A 251
TYR A 288
 None
None
EDO  A 403 (-4.2A)
EDO  A 403 (-3.6A)
EDO  A 403 ( 3.8A)
ZN  A 401 ( 2.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
None
None
 0.26A 5eeiA-5ji5A:
45.7		 5eeiA-5ji5A:
32.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ji5 BUPHA.10154.A.B1

(Paraburkholderia
phymatum) 		PF00850
(Hist_deacetyl) 		6 PRO A  21
HIS A 126
HIS A 165
ASP A 244
LEU A 251
TYR A 288
 None
EDO  A 403 (-4.2A)
ZN  A 401 (-3.1A)
ZN  A 401 (-2.5A)
None
None
 0.99A 5eeiA-5ji5A:
45.7		 5eeiA-5ji5A:
32.61
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.
5kob PEPTIDE DEFORMYLASE

(Paraburkholderia
xenovorans) 		PF01327
(Pep_deformylase) 		5 PRO A 152
GLY A 162
PHE A 161
PHE A 163
TYR A 151
 None
 1.46A 5eeiA-5kobA:
undetectable		 5eeiA-5kobA:
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.
5kqc PEPTIDASE M23

(Staphylococcus
aureus) 		PF01551
(Peptidase_M23) 		5 HIS A 157
HIS A 125
GLY A 106
ASP A  80
HIS A 159
 None
None
None
ZN  A 201 (-1.5A)
ZN  A 201 (-3.2A)
 1.23A 5eeiA-5kqcA:
undetectable		 5eeiA-5kqcA:
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.
5ldt MOMP PORIN

(Campylobacter
jejuni) 		PF05538
(Campylo_MOMP) 		5 GLY A 158
PHE A 173
ASP A 176
LEU A 244
TYR A 250
 None
 1.36A 5eeiA-5ldtA:
undetectable		 5eeiA-5ldtA:
21.21
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.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 5 PRO A 579
GLY A 338
ASP A 687
LEU A 629
TYR A 580
 None
 1.40A 5eeiA-5m41A:
undetectable		 5eeiA-5m41A:
12.39
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.
5mg5 2,4-DIACETYLPHLOROGL
UCINOL BIOSYNTHESIS
PROTEIN PHLC

(Pseudomonas
protegens) 		no annotation 5 SER C  91
HIS C 356
GLY C 353
ASP C 339
TYR C  13
 None
None
SCY  C  88 ( 4.6A)
None
None
 1.42A 5eeiA-5mg5C:
undetectable		 5eeiA-5mg5C:
12.90
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		5 PRO A 573
SER A 676
HIS A 759
GLY A 698
ASP A 544
 None
None
ZN  A 902 ( 3.2A)
None
ZN  A 902 ( 2.6A)
 1.36A 5eeiA-5mtzA:
undetectable		 5eeiA-5mtzA:
17.80
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 5 HIS A 105
GLY A 285
ASP A  80
HIS A 104
ASP A  25
 PG4  A 403 (-4.5A)
PG4  A 403 (-3.5A)
MN  A 401 ( 2.6A)
MN  A 402 (-3.5A)
MN  A 402 (-3.1A)
 1.27A 5eeiA-5o25A:
undetectable		 5eeiA-5o25A:
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		7 HIS A 136
HIS A 137
GLY A 145
PHE A 146
ASP A 174
HIS A 176
ASP A 267
 FKS  A 711 (-4.0A)
FKS  A 711 (-3.5A)
FKS  A 711 (-4.5A)
FKS  A 711 (-3.9A)
ZN  A 701 (-1.9A)
ZN  A 701 (-3.3A)
ZN  A 701 ( 2.6A)
 0.17A 5eeiA-5td7A:
60.0		 5eeiA-5td7A:
25.30
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.
5ubk ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		5 PRO A 492
GLY A  47
PHE A  60
HIS A  36
ASP A  44
 None
 1.33A 5eeiA-5ubkA:
undetectable		 5eeiA-5ubkA:
20.45
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.
5ubu PUTATIVE
ACETAMIDASE/FORMAMID
ASE

(Yersinia
enterocolitica) 		PF03069
(FmdA_AmdA) 		5 PRO A 314
HIS A 219
GLY A 229
ASP A 217
LEU A 182
 None
NA  A 402 (-3.5A)
None
NA  A 402 ( 2.3A)
None
 1.24A 5eeiA-5ubuA:
undetectable		 5eeiA-5ubuA:
21.64
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.
5umn HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 PRO A 254
GLY A 124
PHE A 125
LEU A 243
TYR A 178
 None
 1.45A 5eeiA-5umnA:
undetectable		 5eeiA-5umnA:
22.13
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		9 HIS A 142
HIS A 143
GLY A 151
PHE A 152
ASP A 178
HIS A 180
PHE A 208
ASP A 267
TYR A 306
 None
EDO  A 410 (-4.4A)
EDO  A 410 ( 4.8A)
EDO  A 407 (-4.2A)
ZN  A 401 ( 2.3A)
ZN  A 401 ( 3.1A)
EDO  A 410 ( 3.7A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.3A)
 0.26A 5eeiA-5vi6A:
41.2		 5eeiA-5vi6A:
29.77
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 SER A 150
HIS A 142
HIS A 180
ASP A 267
TYR A 306
 EDO  A 410 (-1.9A)
None
ZN  A 401 ( 3.1A)
ZN  A 401 (-2.4A)
EDO  A 407 ( 3.3A)
 1.26A 5eeiA-5vi6A:
41.2		 5eeiA-5vi6A:
29.77
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.
5viy BG1 FAB HEAVY CHAIN
BG1 FAB LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H 181
HIS H 184
GLY H 182
ASP G 167
ASP G 170
 None
 1.42A 5eeiA-5viyH:
undetectable		 5eeiA-5viyH:
21.92
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.
6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8

(Homo sapiens) 		no annotation 5 HIS E 888
GLY E 713
ASP E 854
ASP E 853
LEU E 723
 None
None
ATP  E2004 ( 4.6A)
MG  E2002 ( 4.5A)
None
 1.28A 5eeiA-6c3pE:
undetectable		 5eeiA-6c3pE:
12.54