SIMILAR PATTERNS OF AMINO ACIDS FOR 1Y4L_B_SVRB301_2

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.
1a9n U2A'

(Homo sapiens) 		PF14580
(LRR_9) 		5 LEU A 118
LEU A 145
GLY A 104
TYR A 131
LYS A 128
 None
 1.28A 1y4lB-1a9nA:
undetectable		 1y4lB-1a9nA:
22.03
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.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B

(Methanothermobacter
thermautotrophicus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 LEU A  72
LEU A 212
VAL A  51
GLY A  54
LYS A  61
 None
 1.47A 1y4lB-1g7rA:
undetectable		 1y4lB-1g7rA:
12.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1god PROTEIN
(PHOSPHOLIPASE A2)

(Cerrophidion
godmani) 		PF00068
(Phospholip_A2_1) 		5 LEU A   5
VAL A  31
HIS A  48
TYR A  52
LYS A  53
 None
 0.91A 1y4lB-1godA:
21.8		 1y4lB-1godA:
80.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1god PROTEIN
(PHOSPHOLIPASE A2)

(Cerrophidion
godmani) 		PF00068
(Phospholip_A2_1) 		5 VAL A  31
HIS A  48
LYS A  49
TYR A  52
LYS A  53
 None
 1.07A 1y4lB-1godA:
21.8		 1y4lB-1godA:
80.17
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.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 LEU A 569
LEU A 505
TYR A 462
LYS A 463
LYS A 524
 None
 1.46A 1y4lB-1hcyA:
undetectable		 1y4lB-1hcyA:
11.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mc2 ACUTOHAEMONLYSIN

(Deinagkistrodon
acutus) 		PF00068
(Phospholip_A2_1) 		6 LEU A1002
LEU A1005
GLY A1032
HIS A1048
TYR A1052
LYS A1070
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.2A)
None
None
None
None
 0.82A 1y4lB-1mc2A:
23.1		 1y4lB-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mc2 ACUTOHAEMONLYSIN

(Deinagkistrodon
acutus) 		PF00068
(Phospholip_A2_1) 		9 LEU A1002
LEU A1005
VAL A1031
GLY A1033
ARG A1034
HIS A1048
LYS A1049
TYR A1052
LYS A1070
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.2A)
None
None
None
None
None
None
None
 0.57A 1y4lB-1mc2A:
23.1		 1y4lB-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mc2 ACUTOHAEMONLYSIN

(Deinagkistrodon
acutus) 		PF00068
(Phospholip_A2_1) 		5 LEU A1005
ARG A1034
HIS A1048
TYR A1052
LYS A1053
 IPA  A1135 ( 4.2A)
None
None
None
None
 1.29A 1y4lB-1mc2A:
23.1		 1y4lB-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1po8 PHOSPHOLIPASE A2

(Bungarus
caeruleus) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
LEU A   5
GLY A  32
HIS A  48
TYR A  52
 None
None
NA  A 121 (-3.3A)
SHV  A 122 (-4.1A)
None
 0.51A 1y4lB-1po8A:
17.5		 1y4lB-1po8A:
39.84
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.
1umf CHORISMATE SYNTHASE

(Helicobacter
pylori) 		PF01264
(Chorismate_synt) 		5 LEU A 143
LEU A 142
VAL A 342
GLY A   5
ARG A   9
 None
 1.44A 1y4lB-1umfA:
undetectable		 1y4lB-1umfA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xfs CONSERVED
HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF08327
(AHSA1) 		5 LEU A  29
VAL A  20
ARG A 128
TYR A 129
LYS A  15
 None
 1.43A 1y4lB-1xfsA:
undetectable		 1y4lB-1xfsA:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z6n HYPOTHETICAL PROTEIN
PA1234

(Pseudomonas
aeruginosa) 		PF14595
(Thioredoxin_9) 		5 LEU A 100
LEU A 104
VAL A  60
ARG A  57
TYR A   4
 None
 1.44A 1y4lB-1z6nA:
undetectable		 1y4lB-1z6nA:
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.
1zmo HALOHYDRIN
DEHALOGENASE

(Arthrobacter
sp. AD2) 		PF13561
(adh_short_C2) 		5 LEU A 113
LEU A  62
VAL A  77
GLY A  14
HIS A  31
 None
 1.42A 1y4lB-1zmoA:
undetectable		 1y4lB-1zmoA:
15.42
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 LEU A 474
LEU A1024
VAL A 484
GLY A 491
TYR A 493
 None
 1.35A 1y4lB-2eyqA:
undetectable		 1y4lB-2eyqA:
6.34
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.
2g9i F420-0:GAMMA-GLUTAMY
L LIGASE

(Archaeoglobus
fulgidus) 		PF01996
(F420_ligase) 		5 LEU A  87
LEU A 245
VAL A 104
GLY A 153
ARG A 154
 None
 1.33A 1y4lB-2g9iA:
undetectable		 1y4lB-2g9iA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gzo UPF0301 PROTEIN
SO3346

(Shewanella
oneidensis) 		PF02622
(DUF179) 		5 LEU A 103
LEU A 157
VAL A  85
GLY A  83
TYR A  26
 None
 1.32A 1y4lB-2gzoA:
undetectable		 1y4lB-2gzoA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ou2 HISTONE
ACETYLTRANSFERASE
HTATIP

(Homo sapiens) 		PF01853
(MOZ_SAS) 		5 LEU A 210
LEU A 267
VAL A 207
TYR A 198
LYS A 216
 None
 1.41A 1y4lB-2ou2A:
undetectable		 1y4lB-2ou2A:
17.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ph4 ZHAOERMIATOXIN

(Protobothrops
mangshanensis) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
LEU A   5
VAL A  31
HIS A  48
TYR A  52
 None
PEG  A 401 ( 4.3A)
SO4  A 301 ( 3.6A)
PEG  A 401 ( 4.9A)
None
 1.05A 1y4lB-2ph4A:
23.1		 1y4lB-2ph4A:
74.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ph4 ZHAOERMIATOXIN

(Protobothrops
mangshanensis) 		PF00068
(Phospholip_A2_1) 		5 LEU A   5
VAL A  31
HIS A  48
TYR A  52
LYS A  70
 PEG  A 401 ( 4.3A)
SO4  A 301 ( 3.6A)
PEG  A 401 ( 4.9A)
None
None
 0.70A 1y4lB-2ph4A:
23.1		 1y4lB-2ph4A:
74.38
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.
2pju PROPIONATE
CATABOLISM OPERON
REGULATORY PROTEIN

(Escherichia
coli) 		PF06506
(PrpR_N) 		5 LEU A 161
VAL A 157
GLY A 108
ARG A 133
TYR A 135
 None
 1.36A 1y4lB-2pjuA:
undetectable		 1y4lB-2pjuA:
18.75
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.
2rfo NUCLEOPORIN NIC96

(Saccharomyces
cerevisiae) 		PF04097
(Nic96) 		5 LEU A 579
LEU A 576
VAL A 588
GLY A 591
ARG A 599
 None
 1.13A 1y4lB-2rfoA:
undetectable		 1y4lB-2rfoA:
10.66
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.
2vsm HEMAGGLUTININ-NEURAM
INIDASE

(Nipah
henipavirus) 		PF00423
(HN) 		5 LEU A 592
LEU A 577
VAL A 255
GLY A 253
TYR A 231
 None
 1.48A 1y4lB-2vsmA:
undetectable		 1y4lB-2vsmA:
14.39
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 196
LEU A 188
VAL A 158
GLY A 174
ARG A 173
 None
 1.49A 1y4lB-2wskA:
undetectable		 1y4lB-2wskA:
10.57
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.
2x1g CADMUS

(Drosophila
melanogaster) 		PF03810
(IBN_N)
PF08389
(Xpo1) 		6 LEU F 149
LEU F 145
VAL F 182
ARG F 188
TYR F 189
LYS F 191
 None
 1.28A 1y4lB-2x1gF:
undetectable		 1y4lB-2x1gF:
8.24
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 LEU B 369
LEU B 384
VAL B 374
GLY B 376
ARG B 377
 None
 0.99A 1y4lB-3hkzB:
undetectable		 1y4lB-3hkzB:
7.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		5 LEU A1471
LEU A1472
VAL A 875
GLY A 877
ARG A 878
 None
 1.29A 1y4lB-3jb9A:
undetectable		 1y4lB-3jb9A:
3.52
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.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 LEU A4140
LEU A4112
VAL A4187
GLY A4121
ARG A4122
 None
 1.34A 1y4lB-3kciA:
undetectable		 1y4lB-3kciA:
15.14
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.
3nsj PERFORIN-1

(Mus musculus) 		PF00168
(C2)
PF01823
(MACPF) 		5 LEU A 426
LEU A 493
VAL A 452
GLY A 450
ARG A 448
 None
None
GOL  A 653 (-4.3A)
GOL  A 653 (-3.5A)
GOL  A 652 (-3.8A)
 1.46A 1y4lB-3nsjA:
undetectable		 1y4lB-3nsjA:
11.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3v9m PHOSPHOLIPASE A2
ISOZYME PA-11

(Pseudechis
australis) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  32
HIS A  48
TYR A  52
LYS A  63
 EDO  A 201 ( 4.7A)
CA  A 205 (-4.4A)
EDO  A 201 ( 4.0A)
EDO  A 201 ( 4.8A)
PEG  A 206 (-2.2A)
 0.76A 1y4lB-3v9mA:
18.3		 1y4lB-3v9mA:
39.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wxm PROTEIN PELOTA
HOMOLOG

(Aeropyrum
pernix) 		PF03463
(eRF1_1)
PF03465
(eRF1_3) 		5 LEU B 141
LEU B 152
VAL B 183
ARG B 190
HIS B 189
 None
 1.03A 1y4lB-3wxmB:
undetectable		 1y4lB-3wxmB:
14.17
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.
4e14 KYNURENINE
FORMAMIDASE

(Drosophila
melanogaster) 		PF07859
(Abhydrolase_3) 		5 LEU A 196
LEU A 193
GLY A  87
HIS A 161
LYS A 158
 None
None
EDO  A 404 (-3.6A)
None
SEB  A 157 ( 2.8A)
 1.24A 1y4lB-4e14A:
undetectable		 1y4lB-4e14A:
16.78
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.
4gua NON-STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF01661
(Macro)
PF01707
(Peptidase_C9) 		5 LEU A1157
LEU A1161
VAL A1153
GLY A1070
HIS A1241
 None
 1.42A 1y4lB-4guaA:
undetectable		 1y4lB-4guaA:
11.65
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.
4ixa RESPONSE REGULATOR
SAER

(Staphylococcus
epidermidis) 		PF00486
(Trans_reg_C) 		5 LEU A 178
LEU A 161
VAL A 172
GLY A 170
LYS A 181
 None
 1.05A 1y4lB-4ixaA:
undetectable		 1y4lB-4ixaA:
16.95
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.
4kps HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 LEU A 106
LEU A 100
VAL A 178
GLY A 257
ARG A 118
 None
 1.48A 1y4lB-4kpsA:
undetectable		 1y4lB-4kpsA:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mb2 PHOSPHOPANTOTHENATE
SYNTHETASE

(Thermococcus
onnurineus) 		PF02006
(PPS_PS) 		5 LEU A  99
LEU A 127
VAL A  80
GLY A  78
ARG A 110
 None
 1.43A 1y4lB-4mb2A:
undetectable		 1y4lB-4mb2A:
18.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nas RIBULOSE-BISPHOSPHAT
E CARBOXYLASE

(Alicyclobacillus
acidocaldarius) 		PF00016
(RuBisCO_large) 		5 LEU A  94
LEU A  93
VAL A 286
GLY A 288
ARG A 292
 None
 1.13A 1y4lB-4nasA:
undetectable		 1y4lB-4nasA:
14.10
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.
4nre ARACHIDONATE
15-LIPOXYGENASE B

(Homo sapiens) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 LEU A  94
LEU A 102
VAL A  27
GLY A  31
ARG A  30
 None
 1.03A 1y4lB-4nreA:
undetectable		 1y4lB-4nreA:
9.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p5t PROTEIN OF 3K
PEPTIDE
(FEAQKAKANKAVD),LINK
ER REGION -
GGGGSLVPRGSGGGG,H-2
CLASS II
HISTOCOMPATIBILITY
ANTIGEN, A BETA
CHAIN,H-2 CLASS II
HISTOCOMPATIBILITY
ANTIGEN, A BETA
CHAIN

(Mus musculus) 		PF00969
(MHC_II_beta)
PF07654
(C1-set) 		5 LEU D 116
LEU D 104
VAL D 171
GLY D 169
ARG D 168
 None
 1.19A 1y4lB-4p5tD:
undetectable		 1y4lB-4p5tD:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r70 BACTERIOPHYTOCHROME
(LIGHT-REGULATED
SIGNAL TRANSDUCTION
HISTIDINE KINASE),
PHYB2

(Rhodopseudomonas
palustris) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 LEU A 379
LEU A 361
VAL A 514
GLY A 519
ARG A 520
 None
 1.50A 1y4lB-4r70A:
undetectable		 1y4lB-4r70A:
10.19
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.
4rcw SLIT AND NTRK-LIKE
PROTEIN 1

(Homo sapiens) 		PF13855
(LRR_8) 		5 LEU A 476
LEU A 452
VAL A 490
GLY A 465
ARG A 440
 None
 1.50A 1y4lB-4rcwA:
undetectable		 1y4lB-4rcwA:
16.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rfp ACIDIC PHOSPHOLIPASE
A2 5

(Trimeresurus
stejnegeri) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  32
HIS A  47
TYR A  51
LYS A  60
 None
 1.31A 1y4lB-4rfpA:
20.7		 1y4lB-4rfpA:
49.59
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.
4rh0 SPORE PHOTOPRODUCT
LYASE

(Geobacillus
thermodenitrificans) 		no annotation 5 LEU A 154
LEU A 181
VAL A 172
GLY A 230
TYR A 227
 None
None
EEM  A 401 (-3.9A)
None
None
 1.25A 1y4lB-4rh0A:
undetectable		 1y4lB-4rh0A:
15.54
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.
4w99 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADPH, B-SPECIFIC]
1, MITOCHONDRIAL

(Candida
tropicalis) 		no annotation 5 LEU A 327
LEU A 333
GLY A 320
HIS A 182
LYS A 328
 None
 1.44A 1y4lB-4w99A:
undetectable		 1y4lB-4w99A:
16.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wtb BASIC PHOSPHOLIPASE
A2 HOMOLOG
BOTHROPSTOXIN-1

(Bothrops
jararacussu) 		PF00068
(Phospholip_A2_1) 		10 LEU A   2
LEU A   5
VAL A  30
GLY A  32
ARG A  33
HIS A  47
LYS A  48
TYR A  51
LYS A  60
LYS A  61
 None
None
None
None
None
ZN  A 201 (-3.1A)
ZN  A 201 ( 4.2A)
None
None
None
 0.95A 1y4lB-4wtbA:
24.1		 1y4lB-4wtbA:
94.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wtb BASIC PHOSPHOLIPASE
A2 HOMOLOG
BOTHROPSTOXIN-1

(Bothrops
jararacussu) 		PF00068
(Phospholip_A2_1) 		7 LEU A   5
VAL A  30
ARG A  33
HIS A  47
LYS A  48
TYR A  51
LYS A  52
 None
None
None
ZN  A 201 (-3.1A)
ZN  A 201 ( 4.2A)
None
None
 0.82A 1y4lB-4wtbA:
24.1		 1y4lB-4wtbA:
94.21
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.
4ywe PUTATIVE ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 LEU A 183
LEU A 180
VAL A 202
GLY A  38
ARG A  37
 None
 1.31A 1y4lB-4yweA:
undetectable		 1y4lB-4yweA:
16.16
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.
5a2o NITRATE TRANSPORTER
1.1

(Arabidopsis
thaliana) 		PF00854
(PTR2) 		5 LEU A 153
LEU A 149
VAL A 113
GLY A 222
TYR A  58
 None
 1.45A 1y4lB-5a2oA:
undetectable		 1y4lB-5a2oA:
11.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		5 LEU B1296
LEU B1295
VAL B1247
ARG B1527
LYS B1520
 None
 1.29A 1y4lB-5hzkB:
undetectable		 1y4lB-5hzkB:
12.55
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.
5ir6 BD-TYPE QUINOL
OXIDASE SUBUNIT II

(Geobacillus
stearothermophilus) 		PF02322
(Cyt_bd_oxida_II) 		5 LEU B 157
VAL B 143
GLY B 149
HIS B 223
LYS B 156
 None
 1.29A 1y4lB-5ir6B:
1.2		 1y4lB-5ir6B:
14.80
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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		5 LEU A 472
LEU A 469
VAL A 437
GLY A 406
ARG A 389
 None
 1.33A 1y4lB-5l44A:
undetectable		 1y4lB-5l44A:
10.12
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.
5ouo PERFORIN-LIKE
PROTEIN 1

(Toxoplasma
gondii) 		no annotation 5 LEU A 987
VAL A 931
GLY A 937
ARG A1060
HIS A 990
 None
None
None
CL  A1103 (-3.6A)
None
 1.33A 1y4lB-5ouoA:
undetectable		 1y4lB-5ouoA:
19.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tfv BASIC PHOSPHOLIPASE
A2 MYOTOXIN III

(Bothrops asper) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  32
HIS A  48
TYR A  52
LYS A  69
 None
 1.09A 1y4lB-5tfvA:
20.7		 1y4lB-5tfvA:
59.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tfv BASIC PHOSPHOLIPASE
A2 MYOTOXIN III

(Bothrops asper) 		PF00068
(Phospholip_A2_1) 		5 LEU A   2
GLY A  33
HIS A  48
TYR A  52
LYS A  69
 None
 1.00A 1y4lB-5tfvA:
20.7		 1y4lB-5tfvA:
59.84
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 LEU A 268
LEU A 272
GLY A 160
HIS A 292
TYR A 383
 None
 1.20A 1y4lB-5um6A:
undetectable		 1y4lB-5um6A:
7.89
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.
5x3j GLYCOSIDE HYDROLASE
FAMILY 31

(Kribbella
flavida) 		no annotation 5 LEU A 158
LEU A 236
VAL A 142
GLY A 154
ARG A 153
 None
None
None
None
SO4  A 806 (-3.3A)
 1.48A 1y4lB-5x3jA:
undetectable		 1y4lB-5x3jA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ce2 -

(-) 		no annotation 6 LEU A   2
LEU A   5
ARG A  34
HIS A  48
LYS A  49
TYR A  52
 PE4  A 201 ( 4.3A)
PE4  A 201 ( 4.7A)
None
None
None
None
 1.09A 1y4lB-6ce2A:
23.4		 1y4lB-6ce2A:
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.
6ce2 -

(-) 		no annotation 7 LEU A   2
LEU A   5
VAL A  31
GLY A  33
HIS A  48
LYS A  49
TYR A  52
 PE4  A 201 ( 4.3A)
PE4  A 201 ( 4.7A)
None
None
None
None
None
 0.76A 1y4lB-6ce2A:
23.4		 1y4lB-6ce2A:
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.
6ce2 -

(-) 		no annotation 5 LEU A   5
ARG A  34
HIS A  48
TYR A  52
LYS A  53
 PE4  A 201 ( 4.7A)
None
None
None
None
 1.19A 1y4lB-6ce2A:
23.4		 1y4lB-6ce2A:
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.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 LEU A 216
LEU A  92
GLY A 371
HIS A 386
LYS A 237
 None
 1.37A 1y4lB-6et9A:
undetectable		 1y4lB-6et9A:
16.10