SIMILAR PATTERNS OF AMINO ACIDS FOR 5L66_K_BO2K301

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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		5 THR A 342
THR A 394
SER A 397
GLY A 306
ALA A 309
 None
 1.14A 5l66K-1hcuA:
undetectable
5l66L-1hcuA:
undetectable		 5l66K-1hcuA:
19.64
5l66L-1hcuA:
17.34
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.
1hqm DNA-DIRECTED RNA
POLYMERASE SUBUNIT
ALPHA

(Thermus
aquaticus) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 ALA A 129
THR A 130
GLY A 135
ALA A 102
ASP A 112
 None
 1.26A 5l66K-1hqmA:
undetectable
5l66L-1hqmA:
undetectable		 5l66K-1hqmA:
21.59
5l66L-1hqmA:
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.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 THR H   1
ALA H  20
THR H  21
LYS H  33
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
 0.18A 5l66K-1j2qH:
29.9
5l66L-1j2qH:
24.8		 5l66K-1j2qH:
29.58
5l66L-1j2qH:
26.78
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.
1ndf CARNITINE
ACETYLTRANSFERASE

(Mus musculus) 		PF00755
(Carn_acyltransf) 		5 ALA A 455
THR A 465
GLY A 513
ALA A 515
ASP A 517
 None
152  A5001 (-2.8A)
None
None
None
 1.46A 5l66K-1ndfA:
undetectable
5l66L-1ndfA:
undetectable		 5l66K-1ndfA:
17.76
5l66L-1ndfA:
15.68
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 THR H   1
ALA H  20
SER H  28
GLY H  47
ALA H  49
 None
 1.45A 5l66K-1q5qH:
26.3
5l66L-1q5qH:
22.6		 5l66K-1q5qH:
26.05
5l66L-1q5qH:
24.10
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 THR H   1
ALA H  20
THR H  21
LYS H  33
GLY H  47
ALA H  49
 None
 0.35A 5l66K-1q5qH:
26.3
5l66L-1q5qH:
22.6		 5l66K-1q5qH:
26.05
5l66L-1q5qH:
24.10
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.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 ALA A 368
SER A 335
MET A 379
GLY A 377
ASP A 326
 None
 1.32A 5l66K-1qhoA:
undetectable
5l66L-1qhoA:
undetectable		 5l66K-1qhoA:
14.79
5l66L-1qhoA:
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.
1qu4 ORNITHINE
DECARBOXYLASE

(Trypanosoma
brucei) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 THR A 207
ALA A 211
SER A 215
GLY A 199
ASP A 233
 None
 1.31A 5l66K-1qu4A:
undetectable
5l66L-1qu4A:
undetectable		 5l66K-1qu4A:
20.34
5l66L-1qu4A:
20.65
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.
1rwr FILAMENTOUS
HEMAGGLUTININ

(Bordetella
pertussis) 		PF05860
(Haemagg_act) 		5 THR A 116
ALA A 154
THR A 155
SER A 175
ASP A 183
 None
 1.16A 5l66K-1rwrA:
undetectable
5l66L-1rwrA:
undetectable		 5l66K-1rwrA:
24.24
5l66L-1rwrA:
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.
1vsg VARIANT SURFACE
GLYCOPROTEIN MITAT
1.2

(Trypanosoma
brucei) 		PF00913
(Trypan_glycop) 		5 THR A 258
ALA A  82
THR A  86
GLY A 255
ALA A  35
 None
 1.35A 5l66K-1vsgA:
undetectable
5l66L-1vsgA:
undetectable		 5l66K-1vsgA:
20.60
5l66L-1vsgA:
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ALA A 159
SER A  96
GLY A 156
ALA A 150
SER A 148
 None
None
None
None
NAP  A1901 (-3.1A)
 1.31A 5l66K-2b4qA:
undetectable
5l66L-2b4qA:
undetectable		 5l66K-2b4qA:
20.57
5l66L-2b4qA:
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.
2bbk METHYLAMINE
DEHYDROGENASE (HEAVY
SUBUNIT)

(Paracoccus
denitrificans) 		PF06433
(Me-amine-dh_H) 		5 THR H 368
ALA H 370
ALA H  73
ASP H  75
SER H  77
 None
 1.31A 5l66K-2bbkH:
undetectable
5l66L-2bbkH:
undetectable		 5l66K-2bbkH:
19.61
5l66L-2bbkH:
23.24
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.
2fgq OUTER MEMBRANE PORIN
PROTEIN 32

(Delftia
acidovorans) 		PF13609
(Porin_4) 		5 ALA X 287
THR X 286
GLY X 327
ALA X  34
SER X  35
 None
None
None
SO4  X 600 ( 4.7A)
SO4  X 601 ( 3.7A)
 1.35A 5l66K-2fgqX:
undetectable
5l66L-2fgqX:
undetectable		 5l66K-2fgqX:
20.54
5l66L-2fgqX:
21.76
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 6 THR H 301
THR H 321
SER H 327
LYS H 333
GLY H 347
ALA H 349
 None
 0.47A 5l66K-2fhgH:
25.6
5l66L-2fhgH:
22.4		 5l66K-2fhgH:
27.08
5l66L-2fhgH:
23.19
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.
2i58 SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		5 THR A 275
ALA A 340
THR A 342
GLY A 277
ALA A 113
 None
 1.10A 5l66K-2i58A:
undetectable
5l66L-2i58A:
undetectable		 5l66K-2i58A:
19.95
5l66L-2i58A:
21.88
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.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 THR A 391
MET A  21
GLY A  24
ALA A 384
SER A 382
 None
 1.44A 5l66K-2pajA:
undetectable
5l66L-2pajA:
undetectable		 5l66K-2pajA:
19.34
5l66L-2pajA:
18.99
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.
2qkb RIBONUCLEASE H1

(Homo sapiens) 		PF00075
(RNase_H) 		5 ALA A 189
THR A 144
GLY A 173
ALA A 277
ASP A 274
 None
 1.39A 5l66K-2qkbA:
undetectable
5l66L-2qkbA:
undetectable		 5l66K-2qkbA:
20.85
5l66L-2qkbA:
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ALA A 396
THR A 230
GLY A 400
ALA A 169
SER A 154
 None
 1.36A 5l66K-2xvgA:
undetectable
5l66L-2xvgA:
undetectable		 5l66K-2xvgA:
12.42
5l66L-2xvgA:
12.34
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.
2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 THR A 496
THR A 501
SER A 502
GLY A 492
SER A 638
 ADP  A1004 ( 4.4A)
None
None
None
None
 1.34A 5l66K-2xzoA:
undetectable
5l66L-2xzoA:
undetectable		 5l66K-2xzoA:
15.57
5l66L-2xzoA:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		5 ALA A 268
THR A 267
LYS A 365
GLY A1057
ALA A 369
 None
 1.18A 5l66K-3aibA:
undetectable
5l66L-3aibA:
undetectable		 5l66K-3aibA:
13.91
5l66L-3aibA:
14.05
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.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 ALA A  44
SER A  21
GLY A 216
ALA A 218
ASP A  49
 None
None
NAD  A 500 (-3.5A)
None
None
 1.15A 5l66K-3b4wA:
undetectable
5l66L-3b4wA:
undetectable		 5l66K-3b4wA:
18.16
5l66L-3b4wA:
18.25
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.
3bwk CYSTEINE PROTEASE
FALCIPAIN-3

(Plasmodium
falciparum) 		PF00112
(Peptidase_C1) 		5 ALA A  53
SER A  56
GLY A  91
ASP A 100
SER A  83
 None
None
C1P  A 300 (-3.2A)
None
None
 1.23A 5l66K-3bwkA:
undetectable
5l66L-3bwkA:
undetectable		 5l66K-3bwkA:
22.71
5l66L-3bwkA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmm UBIQUITIN-ACTIVATING
ENZYME E1 1

(Saccharomyces
cerevisiae) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 ALA A 867
THR A 870
LYS A  53
GLY A 367
ALA A 371
 None
 1.28A 5l66K-3cmmA:
undetectable
5l66L-3cmmA:
undetectable		 5l66K-3cmmA:
12.35
5l66L-3cmmA:
12.96
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.
3d3q TRNA
DELTA(2)-ISOPENTENYL
PYROPHOSPHATE
TRANSFERASE

(Staphylococcus
epidermidis) 		PF01715
(IPPT) 		5 THR A  16
SER A  18
GLY A  38
ALA A 102
SER A  24
 None
 1.39A 5l66K-3d3qA:
undetectable
5l66L-3d3qA:
undetectable		 5l66K-3d3qA:
18.34
5l66L-3d3qA:
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.
3e1t HALOGENASE

(Chondromyces
crocatus) 		PF04820
(Trp_halogenase) 		5 ALA A 323
THR A 320
SER A 322
GLY A  15
ALA A 167
 None
None
None
FAD  A 600 ( 4.9A)
None
 1.31A 5l66K-3e1tA:
undetectable
5l66L-3e1tA:
undetectable		 5l66K-3e1tA:
16.67
5l66L-3e1tA:
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.
3e1t HALOGENASE

(Chondromyces
crocatus) 		PF04820
(Trp_halogenase) 		5 ALA A 323
THR A 320
SER A 322
GLY A  16
ALA A 167
 None
None
None
FAD  A 600 (-3.7A)
None
 1.20A 5l66K-3e1tA:
undetectable
5l66L-3e1tA:
undetectable		 5l66K-3e1tA:
16.67
5l66L-3e1tA:
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.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ALA A 797
THR A 796
GLY A 803
ASP A 572
SER A 576
 None
None
None
MN  A2002 (-2.7A)
None
 1.40A 5l66K-3ho8A:
undetectable
5l66L-3ho8A:
undetectable		 5l66K-3ho8A:
11.63
5l66L-3ho8A:
11.99
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.
3hwr 2-DEHYDROPANTOATE
2-REDUCTASE

(Cupriavidus
pinatubonensis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ALA A 190
THR A 249
SER A 247
GLY A 256
ALA A 254
 None
None
BCN  A 301 (-4.7A)
None
None
 1.41A 5l66K-3hwrA:
undetectable
5l66L-3hwrA:
undetectable		 5l66K-3hwrA:
20.38
5l66L-3hwrA:
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.
3i5m PUTATIVE
LEUCOANTHOCYANIDIN
REDUCTASE 1

(Vitis vinifera) 		PF05368
(NmrA) 		5 THR A  19
ALA A  16
THR A  90
SER A  89
ASP A  98
 None
 1.16A 5l66K-3i5mA:
undetectable
5l66L-3i5mA:
undetectable		 5l66K-3i5mA:
22.29
5l66L-3i5mA:
21.80
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.
3j1e CHAPERONIN BETA
SUBUNIT

(Acidianus
tengchongensis) 		PF00118
(Cpn60_TCP1) 		5 THR A 394
THR A 220
GLY A 386
ALA A 213
ASP A 365
 None
 1.39A 5l66K-3j1eA:
undetectable
5l66L-3j1eA:
undetectable		 5l66K-3j1eA:
15.97
5l66L-3j1eA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k33 DEATH ON CURING
PROTEIN

(Escherichia
virus P1) 		PF02661
(Fic) 		5 ALA A  76
THR A  75
SER A  79
GLY A  65
ALA A  61
 None
 1.12A 5l66K-3k33A:
undetectable
5l66L-3k33A:
undetectable		 5l66K-3k33A:
20.40
5l66L-3k33A:
22.22
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.
3llq AQUAPORIN Z 2

(Agrobacterium
fabrum) 		PF00230
(MIP) 		5 ALA A 160
THR A 151
SER A 150
GLY A  55
ALA A  51
 None
 1.38A 5l66K-3llqA:
undetectable
5l66L-3llqA:
undetectable		 5l66K-3llqA:
18.97
5l66L-3llqA:
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 5 THR N   1
THR N  21
LYS N  33
GLY N  47
ALA N  49
 None
 0.58A 5l66K-3mg6N:
14.0
5l66L-3mg6N:
25.3		 5l66K-3mg6N:
28.50
5l66L-3mg6N:
23.11
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.
3ncy ADIC

(Salmonella
enterica) 		PF13520
(AA_permease_2) 		5 THR A  89
THR A 368
ALA A  75
ASP A  67
SER A  69
 None
 1.42A 5l66K-3ncyA:
undetectable
5l66L-3ncyA:
undetectable		 5l66K-3ncyA:
18.52
5l66L-3ncyA:
19.15
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.
3tr9 DIHYDROPTEROATE
SYNTHASE

(Coxiella
burnetii) 		PF00809
(Pterin_bind) 		5 ALA A 286
THR A 287
GLY A 267
ALA A 263
ASP A 260
 None
 1.37A 5l66K-3tr9A:
undetectable
5l66L-3tr9A:
undetectable		 5l66K-3tr9A:
20.92
5l66L-3tr9A:
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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 THR A 363
SER A 203
GLY A 279
ALA A 277
SER A 196
 None
 1.45A 5l66K-3uhjA:
undetectable
5l66L-3uhjA:
undetectable		 5l66K-3uhjA:
18.59
5l66L-3uhjA:
19.60
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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
ALA H  20
THR H  21
LYS H  33
GLY H  47
ALA H  49
 04C  H 301 (-2.5A)
04C  H 301 (-3.9A)
04C  H 301 (-3.9A)
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
 0.65A 5l66K-3unfH:
31.1
5l66L-3unfH:
25.7		 5l66K-3unfH:
25.85
5l66L-3unfH:
25.10
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.
3wdo MFS TRANSPORTER

(Escherichia
coli) 		PF07690
(MFS_1) 		5 ALA A 122
SER A 125
GLY A 341
ALA A 339
SER A 331
 None
 1.09A 5l66K-3wdoA:
undetectable
5l66L-3wdoA:
undetectable		 5l66K-3wdoA:
17.94
5l66L-3wdoA:
16.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR L   1
ALA L  20
THR L  21
LYS L  33
GLY L  47
ALA L  49
 None
 0.63A 5l66K-3wxrL:
37.2
5l66L-3wxrL:
23.4		 5l66K-3wxrL:
77.83
5l66L-3wxrL:
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.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 THR A 166
THR A 164
GLY A 209
ALA A 267
SER A 248
 None
 1.43A 5l66K-4fc7A:
undetectable
5l66L-4fc7A:
undetectable		 5l66K-4fc7A:
21.03
5l66L-4fc7A:
21.65
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.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		5 THR A   1
ALA A  20
THR A  21
LYS A  33
GLY A  48
 None
 0.61A 5l66K-4g4eA:
21.1
5l66L-4g4eA:
17.7		 5l66K-4g4eA:
23.61
5l66L-4g4eA:
23.61
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.
4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2
REGULATORY PROTEIN
SIR4

(Saccharomyces
cerevisiae) 		PF02146
(SIR2)
PF04574
(DUF592)
PF16991
(SIR4_SID) 		5 THR C 742
THR C 866
SER C 867
ALA A 477
SER A 480
 None
 1.43A 5l66K-4iaoC:
undetectable
5l66L-4iaoC:
undetectable		 5l66K-4iaoC:
18.22
5l66L-4iaoC:
22.32
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.
4mch URIDINE
PHOSPHORYLASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		5 ALA A 109
SER A 154
GLY A 150
ALA A 106
SER A 198
 None
 0.93A 5l66K-4mchA:
undetectable
5l66L-4mchA:
undetectable		 5l66K-4mchA:
21.74
5l66L-4mchA:
22.38
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.
4mjz OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Toxoplasma
gondii) 		PF00215
(OMPdecase) 		5 ALA A 113
SER A  82
GLY A 137
ALA A 129
SER A 128
 None
 1.15A 5l66K-4mjzA:
undetectable
5l66L-4mjzA:
undetectable		 5l66K-4mjzA:
21.67
5l66L-4mjzA:
20.81
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.
4n2c PROTEIN-ARGININE
DEIMINASE TYPE-2

(Homo sapiens) 		PF03068
(PAD)
PF08526
(PAD_N)
PF08527
(PAD_M) 		5 THR A  23
THR A  80
ALA A 115
ASP A  91
SER A  85
 None
 1.31A 5l66K-4n2cA:
undetectable
5l66L-4n2cA:
undetectable		 5l66K-4n2cA:
15.72
5l66L-4n2cA:
14.78
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.
4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 202
SER A 205
MET A 199
GLY A 193
SER A 169
 None
 1.01A 5l66K-4nd4A:
undetectable
5l66L-4nd4A:
undetectable		 5l66K-4nd4A:
22.22
5l66L-4nd4A:
21.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
ALA K  20
THR K  21
LYS K  33
GLY K  47
ALA K  49
 None
 0.40A 5l66K-4qv9K:
37.7
5l66L-4qv9K:
23.6		 5l66K-4qv9K:
77.36
5l66L-4qv9K:
23.69
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.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT

(Aquincola
tertiaricarbonis) 		PF01642
(MM_CoA_mutase) 		5 THR A  99
GLY A 141
ALA A 143
ASP A 145
SER A 128
 None
5AD  A 803 ( 4.1A)
None
None
None
 1.44A 5l66K-4r3uA:
undetectable
5l66L-4r3uA:
undetectable		 5l66K-4r3uA:
20.82
5l66L-4r3uA:
19.66
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.
4wzb NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 THR A 377
GLY A 356
ALA A 382
ASP A 402
SER A  48
 None
ICS  A1496 (-3.4A)
None
None
None
 1.43A 5l66K-4wzbA:
undetectable
5l66L-4wzbA:
undetectable		 5l66K-4wzbA:
18.22
5l66L-4wzbA:
19.21
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.
4wzb NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 THR A 377
GLY A 357
ALA A 382
ASP A 402
SER A  48
 None
ICS  A1496 (-3.6A)
None
None
None
 1.30A 5l66K-4wzbA:
undetectable
5l66L-4wzbA:
undetectable		 5l66K-4wzbA:
18.22
5l66L-4wzbA:
19.21
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.
4zgj NITRILE HYDRATASE
BETA SUBUNIT

(Comamonas
testosteroni) 		PF02211
(NHase_beta) 		5 THR B  78
ALA B  76
SER B  37
MET B  58
GLY B  54
 None
 1.18A 5l66K-4zgjB:
undetectable
5l66L-4zgjB:
undetectable		 5l66K-4zgjB:
22.95
5l66L-4zgjB:
21.40
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR H   1
THR H  21
LYS H  33
GLY H  47
ALA H  49
 None
 0.52A 5l66K-5fg9H:
13.5
5l66L-5fg9H:
23.3		 5l66K-5fg9H:
28.27
5l66L-5fg9H:
24.22
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.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		6 THR I   1
ALA I  20
THR I  21
LYS I  33
GLY I  47
ASP J 138
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-2.6A)
 1.16A 5l66K-5fmgI:
14.0
5l66L-5fmgI:
23.7		 5l66K-5fmgI:
25.22
5l66L-5fmgI:
21.54
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		6 THR I   1
ALA I  20
THR I  21
LYS I  33
GLY I  47
ALA I  49
 7F1  I 300 (-2.7A)
7F1  I 300 (-3.6A)
None
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.75A 5l66K-5fmgI:
14.0
5l66L-5fmgI:
23.7		 5l66K-5fmgI:
25.22
5l66L-5fmgI:
21.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		6 THR K   1
ALA K  20
THR K  21
LYS K  33
GLY K  47
ALA K  49
 None
 0.58A 5l66K-5l5wK:
38.3
5l66L-5l5wK:
23.8		 5l66K-5l5wK:
84.36
5l66L-5l5wK:
23.50
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.
5ltm PHENYLALANINE
AMMONIA LYASE

(Anabaena) 		no annotation 5 THR B 178
SER B 226
GLY B 218
ALA B 220
SER B 137
 None
 1.12A 5l66K-5ltmB:
undetectable
5l66L-5ltmB:
undetectable		 5l66K-5ltmB:
17.07
5l66L-5ltmB:
19.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		7 THR K   1
ALA K  20
SER K  27
LYS K  33
MET K  45
GLY K  47
ALA K  49
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.0A)
7DX  K 301 ( 4.2A)
7DX  K 301 (-4.2A)
7DX  K 301 ( 3.8A)
7DX  K 301 (-3.8A)
7DX  K 301 (-3.2A)
 0.36A 5l66K-5m2bK:
39.7
5l66L-5m2bK:
24.1		 5l66K-5m2bK:
96.21
5l66L-5m2bK:
23.50
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.
5ny0 L. REUTERIS SRRP
BINDING REGION

(Lactobacillus
reuteri) 		no annotation 5 ALA A 473
THR A 474
SER A 503
GLY A 387
ALA A 436
 None
 1.38A 5l66K-5ny0A:
undetectable
5l66L-5ny0A:
undetectable		 5l66K-5ny0A:
18.38
5l66L-5ny0A:
17.07
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 5 SER A 197
GLY A 593
ALA A 591
ASP A 200
SER A 693
 None
 1.40A 5l66K-5ot1A:
undetectable
5l66L-5ot1A:
undetectable		 5l66K-5ot1A:
19.89
5l66L-5ot1A:
15.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		5 THR R   1
ALA R  20
LYS R  33
GLY R  47
ALA R  49
 None
 0.78A 5l66K-5t0gR:
32.7
5l66L-5t0gR:
24.1		 5l66K-5t0gR:
67.15
5l66L-5t0gR:
21.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		5 THR R   1
ALA R  20
THR R  21
LYS R  33
ALA R  49
 None
 0.91A 5l66K-5t0gR:
32.7
5l66L-5t0gR:
24.1		 5l66K-5t0gR:
67.15
5l66L-5t0gR:
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 6 THR R   1
ALA R  20
THR R  21
LYS R  33
GLY R  47
ALA R  49
 None
 0.58A 5l66K-5vfrR:
33.3
5l66L-5vfrR:
23.9		 5l66K-5vfrR:
undetectable
5l66L-5vfrR:
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.
5vrb TRANSKETOLASE

(Neisseria
gonorrhoeae) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 357
THR A 493
SER A 496
ALA A 353
SER A 516
 None
 1.18A 5l66K-5vrbA:
undetectable
5l66L-5vrbA:
undetectable		 5l66K-5vrbA:
15.21
5l66L-5vrbA:
16.28
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 6 THR B   1
ALA B  20
THR B  21
LYS B  33
GLY B  47
ALA B  49
 None
 0.71A 5l66K-6avoB:
21.7
5l66L-6avoB:
21.3		 5l66K-6avoB:
19.44
5l66L-6avoB:
18.27
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10
PROTEASOME SUBUNIT
BETA TYPE-9

(Homo sapiens) 		no annotation 5 THR A   1
LYS A  33
GLY A  47
ALA A  49
SER B 118
 None
 0.59A 5l66K-6avoA:
25.3
5l66L-6avoA:
25.5		 5l66K-6avoA:
18.96
5l66L-6avoA:
17.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-8

(Homo sapiens) 		no annotation 6 THR C   1
ALA C  20
LYS C  33
MET C  45
GLY C  47
ALA C  49
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 ( 4.8A)
BZ7  C 301 ( 4.7A)
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
 0.55A 5l66K-6avoC:
34.7
5l66L-6avoC:
24.8		 5l66K-6avoC:
95.00
5l66L-6avoC:
14.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-8

(Homo sapiens) 		no annotation 5 THR C   1
SER C  27
MET C  45
GLY C  47
ALA C  49
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.4A)
BZ7  C 301 ( 4.7A)
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
 0.60A 5l66K-6avoC:
34.7
5l66L-6avoC:
24.8		 5l66K-6avoC:
95.00
5l66L-6avoC:
14.55
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.
6eks SIALIDASE

(Vibrio cholerae) 		no annotation 5 ALA A 342
GLY A 355
ALA A 335
ASP A 318
SER A 317
 None
None
None
G39  A 908 ( 4.2A)
G39  A 908 ( 4.6A)
 1.45A 5l66K-6eksA:
undetectable
5l66L-6eksA:
undetectable		 5l66K-6eksA:
14.44
5l66L-6eksA:
14.62