SIMILAR PATTERNS OF AMINO ACIDS FOR 4IKL_A_SUZA201_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bgp BARLEY GRAIN
PEROXIDASE

(Hordeum vulgare) 		PF00141
(peroxidase) 		4 ALA A  41
LEU A  43
SER A 117
SER A 121
 HEM  A 400 (-3.5A)
None
None
None
 0.97A 4iklA-1bgpA:
undetectable
4iklB-1bgpA:
undetectable		 4iklA-1bgpA:
16.88
4iklB-1bgpA:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f5j BETA-1,4-XYLANASE

(Dictyoglomus
thermophilum) 		PF00457
(Glyco_hydro_11) 		4 LYS A  19
LEU A  17
ALA A  44
SER A  76
 None
 0.60A 4iklA-1f5jA:
undetectable
4iklB-1f5jA:
undetectable		 4iklA-1f5jA:
19.39
4iklB-1f5jA:
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.
1f80 HOLO-(ACYL CARRIER
PROTEIN) SYNTHASE

(Bacillus
subtilis) 		PF01648
(ACPS) 		4 LEU A   7
ALA A 111
SER A 102
THR A 104
 None
None
None
NA  A1255 (-3.8A)
 0.89A 4iklA-1f80A:
undetectable
4iklB-1f80A:
undetectable		 4iklA-1f80A:
24.24
4iklB-1f80A:
24.24
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.
1f8w NADH PEROXIDASE

(Enterococcus
faecalis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ALA A 389
LEU A 391
THR A 339
SER A 326
 None
 1.14A 4iklA-1f8wA:
undetectable
4iklB-1f8wA:
undetectable		 4iklA-1f8wA:
15.23
4iklB-1f8wA:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g84 IMMUNOGLOBULIN E

(Homo sapiens) 		PF07654
(C1-set) 		4 LYS A  10
LEU A  12
LEU A  29
SER A  59
 None
 0.93A 4iklA-1g84A:
1.0
4iklB-1g84A:
0.9		 4iklA-1g84A:
22.22
4iklB-1g84A:
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.
1gd3 CYSTATIN A

(Homo sapiens) 		PF00031
(Cystatin) 		4 LEU A  95
ALA A   9
LEU A   6
SER A   7
 None
 1.06A 4iklA-1gd3A:
0.5
4iklB-1gd3A:
undetectable		 4iklA-1gd3A:
23.08
4iklB-1gd3A:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gke TRANSTHYRETIN

(Rattus
norvegicus) 		PF00576
(Transthyretin) 		5 LYS A  15
LEU A  17
ALA A 108
LEU A 110
THR A 119
 None
 0.51A 4iklA-1gkeA:
22.0
4iklB-1gkeA:
21.1		 4iklA-1gkeA:
83.33
4iklB-1gkeA:
83.33
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.
1igo FAMILY 11 XYLANASE

(Bacillus
subtilis) 		PF00457
(Glyco_hydro_11) 		4 LYS A  21
LEU A  19
ALA A  46
SER A  80
 None
 0.94A 4iklA-1igoA:
0.3
4iklB-1igoA:
undetectable		 4iklA-1igoA:
22.01
4iklB-1igoA:
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		4 LEU A 577
ALA A  78
SER A 573
THR A  75
 None
 1.00A 4iklA-1j1wA:
undetectable
4iklB-1j1wA:
2.9		 4iklA-1j1wA:
10.31
4iklB-1j1wA:
10.31
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.
1kyh HYPOTHETICAL 29.9
KDA PROTEIN IN
SIGY-CYDD INTERGENIC
REGION

(Bacillus
subtilis) 		PF01256
(Carb_kinase) 		4 LEU A  74
ALA A  50
LEU A  48
SER A 265
 None
 1.12A 4iklA-1kyhA:
undetectable
4iklB-1kyhA:
undetectable		 4iklA-1kyhA:
16.55
4iklB-1kyhA:
16.55
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.
1mk7 TALIN

(Gallus gallus) 		PF00373
(FERM_M)
PF02174
(IRS) 		4 ALA B 360
SER B 365
THR B 367
SER B 379
 None
 0.46A 4iklA-1mk7B:
undetectable
4iklB-1mk7B:
undetectable		 4iklA-1mk7B:
22.49
4iklB-1mk7B:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ps9 2,4-DIENOYL-COA
REDUCTASE

(Escherichia
coli) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 LEU A 299
ALA A 304
SER A 269
THR A 272
 None
 1.16A 4iklA-1ps9A:
undetectable
4iklB-1ps9A:
undetectable		 4iklA-1ps9A:
10.58
4iklB-1ps9A:
10.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgj PEROXIDASE N

(Arabidopsis
thaliana) 		PF00141
(peroxidase) 		4 ALA A  34
LEU A  36
SER A 105
SER A 109
 HEM  A1350 (-3.7A)
None
None
None
 0.94A 4iklA-1qgjA:
undetectable
4iklB-1qgjA:
undetectable		 4iklA-1qgjA:
20.38
4iklB-1qgjA:
20.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sn2 TRANSTHYRETIN

(Sparus aurata) 		PF00576
(Transthyretin) 		5 LYS A  15
LEU A  17
ALA A 108
LEU A 110
THR A 119
 None
 0.71A 4iklA-1sn2A:
20.9
4iklB-1sn2A:
21.3		 4iklA-1sn2A:
54.62
4iklB-1sn2A:
54.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t4n RIBONUCLEASE III

(Saccharomyces
cerevisiae) 		PF00035
(dsrm) 		4 LYS A 443
ALA A 446
LEU A 377
SER A 376
 None
 0.97A 4iklA-1t4nA:
undetectable
4iklB-1t4nA:
undetectable		 4iklA-1t4nA:
22.88
4iklB-1t4nA:
22.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tfp TRANSTHYRETIN

(Gallus gallus) 		PF00576
(Transthyretin) 		6 LYS A  15
LEU A  17
ALA A 108
LEU A 110
SER A 117
THR A 119
 None
 0.78A 4iklA-1tfpA:
19.9
4iklB-1tfpA:
19.2		 4iklA-1tfpA:
73.85
4iklB-1tfpA:
73.85
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.
1urd MALTOSE-BINDING
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF01547
(SBP_bac_1) 		4 ALA A 301
LEU A 305
THR A 298
SER A 296
 None
 0.99A 4iklA-1urdA:
undetectable
4iklB-1urdA:
undetectable		 4iklA-1urdA:
16.53
4iklB-1urdA:
16.53
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.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		4 LEU A 112
ALA A 460
LEU A 462
SER A 455
 None
 1.15A 4iklA-1urjA:
undetectable
4iklB-1urjA:
undetectable		 4iklA-1urjA:
7.18
4iklB-1urjA:
7.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1woz 177AA LONG CONSERVED
HYPOTHETICAL PROTEIN
(ST1454)

(Sulfurisphaera
tokodaii) 		PF01923
(Cob_adeno_trans) 		4 LEU A 114
ALA A 155
LEU A 153
THR A  89
 None
 1.15A 4iklA-1wozA:
undetectable
4iklB-1wozA:
undetectable		 4iklA-1wozA:
21.71
4iklB-1wozA:
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.
1xg2 PECTINESTERASE 1

(Solanum
lycopersicum) 		PF01095
(Pectinesterase) 		4 LYS A 107
ALA A 103
LEU A  71
THR A 102
 None
 1.03A 4iklA-1xg2A:
undetectable
4iklB-1xg2A:
undetectable		 4iklA-1xg2A:
17.24
4iklB-1xg2A:
17.24
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.
2c2i RV0130

(Mycobacterium
tuberculosis) 		PF01575
(MaoC_dehydratas) 		4 LEU A  70
LEU A  73
SER A  21
THR A 109
 None
 1.11A 4iklA-2c2iA:
undetectable
4iklB-2c2iA:
undetectable		 4iklA-2c2iA:
23.03
4iklB-2c2iA:
23.03
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.
2d7i POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 10

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		4 LEU A 250
LEU A 247
SER A 172
SER A 167
 None
 1.12A 4iklA-2d7iA:
undetectable
4iklB-2d7iA:
undetectable		 4iklA-2d7iA:
12.48
4iklB-2d7iA:
12.48
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.
2dlc TYROSYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Saccharomyces
cerevisiae) 		PF00579
(tRNA-synt_1b) 		4 LYS X  68
LEU X  15
ALA X  64
THR X  61
 None
 1.10A 4iklA-2dlcX:
undetectable
4iklB-2dlcX:
undetectable		 4iklA-2dlcX:
14.96
4iklB-2dlcX:
14.96
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.
2fon PEROXISOMAL ACYL-COA
OXIDASE 1A

(Solanum
lycopersicum) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		4 LEU A 519
ALA A 523
LEU A 432
SER A 382
 None
 1.15A 4iklA-2fonA:
undetectable
4iklB-2fonA:
undetectable		 4iklA-2fonA:
10.93
4iklB-2fonA:
10.93
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.
2gtl HEMOGLOBIN LINKER
CHAIN L1

(Lumbricus
terrestris) 		PF00057
(Ldl_recept_a)
PF16915
(Eryth_link_C) 		4 ALA M 149
LEU M 151
THR M 131
SER M 110
 None
 1.12A 4iklA-2gtlM:
undetectable
4iklB-2gtlM:
undetectable		 4iklA-2gtlM:
16.67
4iklB-2gtlM:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jig PROLYL-4 HYDROXYLASE

(Chlamydomonas
reinhardtii) 		PF13640
(2OG-FeII_Oxy_3) 		4 LYS A  55
LEU A  53
LEU A 210
SER A 239
 None
None
None
PD2  A1254 (-3.3A)
 1.16A 4iklA-2jigA:
undetectable
4iklB-2jigA:
undetectable		 4iklA-2jigA:
19.64
4iklB-2jigA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lpv FKBP-TYPE
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Aedes aegypti) 		PF00254
(FKBP_C) 		4 LYS A  74
LEU A   8
THR A  28
SER A  39
 None
 1.10A 4iklA-2lpvA:
undetectable
4iklB-2lpvA:
undetectable		 4iklA-2lpvA:
21.80
4iklB-2lpvA:
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.
2o0r RV0858C
(N-SUCCINYLDIAMINOPI
MELATE
AMINOTRANSFERASE)

(Mycobacterium
tuberculosis) 		PF00155
(Aminotran_1_2) 		4 LEU A 298
LEU A 318
SER A 312
THR A 315
 None
 1.12A 4iklA-2o0rA:
undetectable
4iklB-2o0rA:
undetectable		 4iklA-2o0rA:
14.57
4iklB-2o0rA:
14.57
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.
2pl2 HYPOTHETICAL
CONSERVED PROTEIN
TTC0263

(Thermus
thermophilus) 		PF13429
(TPR_15)
PF14559
(TPR_19) 		4 LEU A 181
ALA A 194
LEU A 184
SER A 187
 None
 1.16A 4iklA-2pl2A:
undetectable
4iklB-2pl2A:
undetectable		 4iklA-2pl2A:
20.19
4iklB-2pl2A:
20.19
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.
2pq6 UDP-GLUCURONOSYL/UDP
-GLUCOSYLTRANSFERASE

(Medicago
truncatula) 		PF00201
(UDPGT) 		4 LEU A 237
ALA A 456
SER A 466
THR A 460
 None
 1.04A 4iklA-2pq6A:
undetectable
4iklB-2pq6A:
undetectable		 4iklA-2pq6A:
14.25
4iklB-2pq6A:
14.25
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.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		4 ALA A 150
SER A 216
THR A 218
SER A 262
 None
 0.58A 4iklA-2qp2A:
undetectable
4iklB-2qp2A:
undetectable		 4iklA-2qp2A:
13.13
4iklB-2qp2A:
13.13
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.
2v8n LACTOSE PERMEASE

(Escherichia
coli) 		PF01306
(LacY_symp) 		4 LEU A 222
LEU A 225
THR A 399
SER A 396
 None
 0.97A 4iklA-2v8nA:
undetectable
4iklB-2v8nA:
undetectable		 4iklA-2v8nA:
14.46
4iklB-2v8nA:
14.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v9u MSPA

(Mycolicibacterium
smegmatis) 		PF09203
(MspA) 		4 LEU A  62
ALA A 164
LEU A 166
THR A 176
 LEU  A  62 ( 0.5A)
ALA  A 164 ( 0.0A)
LEU  A 166 ( 0.5A)
THR  A 176 ( 0.8A)
 0.65A 4iklA-2v9uA:
3.2
4iklB-2v9uA:
3.3		 4iklA-2v9uA:
23.88
4iklB-2v9uA:
23.88
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.
2w6d DYNAMIN FAMILY
PROTEIN

(Nostoc
punctiforme) 		PF00350
(Dynamin_N) 		4 LEU A  49
ALA A  38
LEU A  51
THR A  34
 None
 0.82A 4iklA-2w6dA:
undetectable
4iklB-2w6dA:
undetectable		 4iklA-2w6dA:
12.22
4iklB-2w6dA:
12.22
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.
2wql MAJOR ALLERGEN DAU C
1

(Daucus carota) 		PF00407
(Bet_v_1) 		4 LEU A   8
ALA A 118
THR A 100
SER A  83
 None
PEG  A 201 ( 4.5A)
P4C  A 200 ( 4.1A)
P4C  A 200 ( 3.8A)
 1.08A 4iklA-2wqlA:
undetectable
4iklB-2wqlA:
undetectable		 4iklA-2wqlA:
21.29
4iklB-2wqlA:
21.29
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.
2wua ACETOACETYL COA
THIOLASE

(Helianthus
annuus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 LEU A  77
LEU A 163
SER A 102
THR A 131
 None
 1.01A 4iklA-2wuaA:
undetectable
4iklB-2wuaA:
undetectable		 4iklA-2wuaA:
14.75
4iklB-2wuaA:
14.75
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.
3bwt PROTEIN PUF4

(Saccharomyces
cerevisiae) 		PF00806
(PUF) 		4 LEU A 621
ALA A 652
LEU A 656
SER A 644
 None
 1.13A 4iklA-3bwtA:
undetectable
4iklB-3bwtA:
undetectable		 4iklA-3bwtA:
18.27
4iklB-3bwtA:
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 LEU A 338
ALA A 340
SER A 334
THR A 327
 None
 1.00A 4iklA-3e0lA:
undetectable
4iklB-3e0lA:
undetectable		 4iklA-3e0lA:
15.84
4iklB-3e0lA:
15.84
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.
3ea0 ATPASE, PARA FAMILY

(Chlorobaculum
tepidum) 		PF13614
(AAA_31) 		4 ALA A 223
LEU A 220
SER A 218
SER A 212
 None
 0.92A 4iklA-3ea0A:
undetectable
4iklB-3ea0A:
undetectable		 4iklA-3ea0A:
21.07
4iklB-3ea0A:
21.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3fc8 TRANSTHYRETIN

(Homo sapiens) 		PF00576
(Transthyretin) 		5 LYS A  15
LEU A  17
ALA A 108
LEU A 110
THR A 119
 IFA  A3000 (-3.0A)
IFA  A3000 ( 4.7A)
IFA  A3000 (-3.1A)
IFA  A3000 (-4.1A)
IFA  A3000 ( 4.9A)
 0.63A 4iklA-3fc8A:
24.1
4iklB-3fc8A:
23.1		 4iklA-3fc8A:
100.00
4iklB-3fc8A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fhc NUCLEAR PORE COMPLEX
PROTEIN NUP214

(Homo sapiens) 		PF12894
(ANAPC4_WD40) 		4 LEU A 144
ALA A 175
SER A 173
THR A 188
 None
 1.10A 4iklA-3fhcA:
undetectable
4iklB-3fhcA:
undetectable		 4iklA-3fhcA:
15.82
4iklB-3fhcA:
15.82
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.
3g9w TALIN-2

(Mus musculus) 		PF00373
(FERM_M)
PF02174
(IRS) 		4 ALA A 363
SER A 368
THR A 370
SER A 382
 None
 0.64A 4iklA-3g9wA:
undetectable
4iklB-3g9wA:
undetectable		 4iklA-3g9wA:
20.48
4iklB-3g9wA:
20.48
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.
3gi8 UNCHARACTERIZED
PROTEIN MJ0609

(Methanocaldococcus
jannaschii) 		PF13520
(AA_permease_2) 		4 ALA C 296
LEU C  93
SER C  96
SER C 100
 None
 1.04A 4iklA-3gi8C:
undetectable
4iklB-3gi8C:
undetectable		 4iklA-3gi8C:
18.36
4iklB-3gi8C:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hqm SPECKLE-TYPE POZ
PROTEIN

(Homo sapiens) 		PF00917
(MATH) 		4 LEU A  88
LEU A  69
SER A  54
THR A  56
 None
None
SO4  A   4 (-4.4A)
None
 1.14A 4iklA-3hqmA:
undetectable
4iklB-3hqmA:
undetectable		 4iklA-3hqmA:
22.50
4iklB-3hqmA:
22.50
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.
3i44 ALDEHYDE
DEHYDROGENASE

(Bartonella
henselae) 		PF00171
(Aldedh) 		4 LEU A 173
LEU A 146
SER A 224
THR A 226
 None
 0.83A 4iklA-3i44A:
undetectable
4iklB-3i44A:
undetectable		 4iklA-3i44A:
13.77
4iklB-3i44A:
13.77
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.
3ijt PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		no annotation 4 LEU A  74
LEU A  83
SER A 103
SER A   0
 None
 0.94A 4iklA-3ijtA:
undetectable
4iklB-3ijtA:
undetectable		 4iklA-3ijtA:
21.95
4iklB-3ijtA:
21.95
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.
3ivf TALIN-1

(Mus musculus) 		PF00373
(FERM_M)
PF02174
(IRS)
PF09379
(FERM_N)
PF16511
(FERM_f0) 		4 ALA A 360
SER A 365
THR A 367
SER A 379
 None
 0.68A 4iklA-3ivfA:
undetectable
4iklB-3ivfA:
undetectable		 4iklA-3ivfA:
15.01
4iklB-3ivfA:
15.01
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.
3iwk AMINOALDEHYDE
DEHYDROGENASE

(Pisum sativum) 		PF00171
(Aldedh) 		4 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
 0.91A 4iklA-3iwkA:
undetectable
4iklB-3iwkA:
undetectable		 4iklA-3iwkA:
13.12
4iklB-3iwkA:
13.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iwu 5-HYDROXYISOURATE
HYDROLASE

(Danio rerio) 		PF00576
(Transthyretin) 		4 LEU A  14
LEU A 107
SER A 114
THR A 116
 None
 0.58A 4iklA-3iwuA:
19.7
4iklB-3iwuA:
19.9		 4iklA-3iwuA:
32.86
4iklB-3iwuA:
32.86
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.
3n4x MONOPOLIN COMPLEX
SUBUNIT CSM1

(Saccharomyces
cerevisiae) 		PF12539
(Csm1) 		4 LYS A 119
ALA A 135
SER A 162
THR A 160
 None
 0.83A 4iklA-3n4xA:
undetectable
4iklB-3n4xA:
undetectable		 4iklA-3n4xA:
20.73
4iklB-3n4xA:
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.
3n6n RNA-DEPENDENT RNA
POLYMERASE

(Enterovirus A) 		PF00680
(RdRP_1) 		4 LYS A 346
LEU A 342
THR A 354
SER A 235
 None
None
None
BUP  A 464 (-2.9A)
 1.09A 4iklA-3n6nA:
undetectable
4iklB-3n6nA:
undetectable		 4iklA-3n6nA:
14.35
4iklB-3n6nA:
14.35
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.
3oks 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		4 LYS A 209
LEU A 206
ALA A 208
SER A 188
 None
 0.97A 4iklA-3oksA:
undetectable
4iklB-3oksA:
undetectable		 4iklA-3oksA:
14.16
4iklB-3oksA:
14.16
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.
3on9 TUMOUR NECROSIS
FACTOR RECEPTOR

(Ectromelia
virus) 		PF07190
(DUF1406) 		4 LEU A 242
LEU A 199
SER A 188
SER A 182
 None
 1.06A 4iklA-3on9A:
undetectable
4iklB-3on9A:
undetectable		 4iklA-3on9A:
22.16
4iklB-3on9A:
22.16
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.
3ty1 HYPOTHETICAL ALDOSE
1-EPIMERASE

(Klebsiella
pneumoniae) 		PF14486
(DUF4432) 		4 LYS A 184
LEU A 196
THR A 215
SER A 360
 None
 0.45A 4iklA-3ty1A:
undetectable
4iklB-3ty1A:
undetectable		 4iklA-3ty1A:
17.45
4iklB-3ty1A:
17.45
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.
3ty7 PUTATIVE ALDEHYDE
DEHYDROGENASE
SAV2122

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		4 LEU A 169
LEU A 142
SER A 220
THR A 222
 None
 0.77A 4iklA-3ty7A:
undetectable
4iklB-3ty7A:
undetectable		 4iklA-3ty7A:
14.22
4iklB-3ty7A:
14.22
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.
3won DIPEPTIDYL
AMINOPEPTIDASE BII

(Pseudoxanthomonas
mexicana) 		PF10459
(Peptidase_S46) 		4 LEU A 127
ALA A  66
THR A  71
SER A 659
 None
GOL  A 805 ( 4.4A)
None
None
 1.04A 4iklA-3wonA:
undetectable
4iklB-3wonA:
undetectable		 4iklA-3wonA:
11.42
4iklB-3wonA:
11.42
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.
3zre THIOL PEROXIDASE

(Yersinia
pseudotuberculosis) 		PF08534
(Redoxin) 		4 LEU A 127
ALA A 132
LEU A 130
SER A  85
 None
 1.15A 4iklA-3zreA:
undetectable
4iklB-3zreA:
undetectable		 4iklA-3zreA:
21.47
4iklB-3zreA:
21.47
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.
4a05 CELLOBIOHYDROLASE
FAMILY 6

(Chaetomium
thermophilum) 		PF01341
(Glyco_hydro_6) 		4 LEU A 469
ALA A 150
LEU A 148
SER A 145
 None
 1.09A 4iklA-4a05A:
undetectable
4iklB-4a05A:
undetectable		 4iklA-4a05A:
14.48
4iklB-4a05A:
14.48
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.
4a5g ANIONIC PEROXIDASE

(Raphanus
sativus) 		PF00141
(peroxidase) 		4 ALA A  36
LEU A  38
SER A 110
SER A 114
 HEM  A1307 (-3.5A)
None
None
None
 0.94A 4iklA-4a5gA:
undetectable
4iklB-4a5gA:
undetectable		 4iklA-4a5gA:
17.86
4iklB-4a5gA:
17.86
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.
4b6i SMA2266

(Serratia
marcescens) 		PF16695
(Tai4) 		4 LEU A  65
ALA A  61
LEU A  32
SER A  39
 None
 1.06A 4iklA-4b6iA:
undetectable
4iklB-4b6iA:
undetectable		 4iklA-4b6iA:
22.90
4iklB-4b6iA:
22.90
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.
4bbw SIALIDASE
(NEURAMINIDASE)

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		4 LEU A 346
ALA A 313
LEU A 345
THR A 312
 None
 1.13A 4iklA-4bbwA:
1.1
4iklB-4bbwA:
undetectable		 4iklA-4bbwA:
13.12
4iklB-4bbwA:
13.12
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.
4bfi OX-2 MEMBRANE
GLYCOPROTEIN

(Mus musculus) 		PF00047
(ig) 		4 LEU B  69
SER B  75
THR B  77
SER B  18
 None
 1.03A 4iklA-4bfiB:
undetectable
4iklB-4bfiB:
3.6		 4iklA-4bfiB:
23.37
4iklB-4bfiB:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cuo BANYAN PEROXIDASE

(Ficus
benghalensis) 		PF00141
(peroxidase) 		4 ALA A  34
LEU A  36
SER A 108
SER A 112
 HEM  A1307 (-3.7A)
None
None
None
 0.93A 4iklA-4cuoA:
undetectable
4iklB-4cuoA:
undetectable		 4iklA-4cuoA:
16.83
4iklB-4cuoA:
16.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eca L-ASPARAGINE
AMIDOHYDROLASE

(Escherichia
coli) 		PF00710
(Asparaginase) 		4 ALA A 228
LEU A 226
SER A 224
SER A 252
 None
 1.16A 4iklA-4ecaA:
undetectable
4iklB-4ecaA:
undetectable		 4iklA-4ecaA:
18.10
4iklB-4ecaA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f7g TALIN-1

(Mus musculus) 		PF00373
(FERM_M)
PF02174
(IRS) 		4 ALA A 360
SER A 365
THR A 367
SER A 379
 None
 0.46A 4iklA-4f7gA:
undetectable
4iklB-4f7gA:
undetectable		 4iklA-4f7gA:
22.17
4iklB-4f7gA:
22.17
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.
4ft2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Zea mays) 		PF00145
(DNA_methylase)
PF00385
(Chromo)
PF01426
(BAH) 		4 LEU A 608
ALA A 587
LEU A 589
SER A 303
 None
 1.03A 4iklA-4ft2A:
undetectable
4iklB-4ft2A:
undetectable		 4iklA-4ft2A:
10.80
4iklB-4ft2A:
10.80
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.
4fwg TTC1975 PEPTIDASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C)
PF13654
(AAA_32) 		4 LEU A 592
ALA A 677
LEU A 681
THR A 676
 None
 1.11A 4iklA-4fwgA:
undetectable
4iklB-4fwgA:
undetectable		 4iklA-4fwgA:
11.30
4iklB-4fwgA:
11.30
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.
4guj 3-DEHYDROQUINATE
DEHYDRATASE

(Salmonella
enterica) 		PF01487
(DHquinase_I) 		4 LEU A 182
SER A 204
THR A 208
SER A 206
 None
 1.00A 4iklA-4gujA:
undetectable
4iklB-4gujA:
undetectable		 4iklA-4gujA:
16.73
4iklB-4gujA:
16.73
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		4 LEU M 260
ALA M 297
LEU M 263
SER M 267
 None
 0.94A 4iklA-4heaM:
undetectable
4iklB-4heaM:
undetectable		 4iklA-4heaM:
13.33
4iklB-4heaM:
13.33
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.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE

(Solanum
lycopersicum) 		PF00171
(Aldedh) 		4 LEU A 184
LEU A 157
SER A 235
THR A 237
 None
None
None
NAD  A 601 (-4.2A)
 0.90A 4iklA-4i8qA:
undetectable
4iklB-4i8qA:
undetectable		 4iklA-4i8qA:
12.90
4iklB-4i8qA:
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.
4j3o OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher)
PF13953
(PapC_C)
PF13954
(PapC_N) 		4 LEU D 551
LEU D 532
THR D 523
SER D 496
 None
 0.60A 4iklA-4j3oD:
4.6
4iklB-4j3oD:
undetectable		 4iklA-4j3oD:
10.44
4iklB-4j3oD:
10.44
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.
4lsu LIGHT CHAIN OF
ANTIBODY VRC-PG20

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU L 132
ALA L 130
LEU L 178
THR L 181
 None
 1.04A 4iklA-4lsuL:
undetectable
4iklB-4lsuL:
undetectable		 4iklA-4lsuL:
24.51
4iklB-4lsuL:
24.51
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.
4mca GLYCEROL
DEHYDROGENASE

(Serratia
plymuthica) 		PF00465
(Fe-ADH) 		4 LEU A 113
ALA A 122
THR A 120
SER A 119
 None
GOL  A1002 ( 4.2A)
None
None
 1.12A 4iklA-4mcaA:
undetectable
4iklB-4mcaA:
undetectable		 4iklA-4mcaA:
15.22
4iklB-4mcaA:
15.22
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.
4mr0 PLASMIN AND
FIBRONECTIN-BINDING
PROTEIN A

(Streptococcus
pneumoniae) 		PF12708
(Pectate_lyase_3)
PF13229
(Beta_helix) 		4 LYS A 426
LEU A 424
ALA A 470
THR A 503
 None
CA  A 702 ( 4.5A)
None
None
 0.75A 4iklA-4mr0A:
undetectable
4iklB-4mr0A:
undetectable		 4iklA-4mr0A:
12.41
4iklB-4mr0A:
12.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pb0 AB53 LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ALA L  92
LEU L  30
SER L  28
SER L  25
 None
 0.96A 4iklA-4pb0L:
undetectable
4iklB-4pb0L:
undetectable		 4iklA-4pb0L:
20.54
4iklB-4pb0L:
20.54
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.
4pdx PUTATIVE
ALKYL/ARYL-SULFATASE
YJCS

(Escherichia
coli) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 ALA A 514
LEU A 250
THR A 515
SER A 233
 None
 1.16A 4iklA-4pdxA:
undetectable
4iklB-4pdxA:
undetectable		 4iklA-4pdxA:
9.92
4iklB-4pdxA:
9.92
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.
4po6 NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		no annotation 4 LEU A 170
ALA A 165
LEU A 167
SER A 218
 None
 0.92A 4iklA-4po6A:
undetectable
4iklB-4po6A:
undetectable		 4iklA-4po6A:
12.85
4iklB-4po6A:
12.85
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.
4wbo RHODOPSIN KINASE

(Bos taurus) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 LYS A 216
LEU A 218
LEU A 260
SER A 508
 None
 1.13A 4iklA-4wboA:
undetectable
4iklB-4wboA:
undetectable		 4iklA-4wboA:
12.19
4iklB-4wboA:
12.19
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.
4xa2 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MBP-PILA: C

(Acinetobacter
baumannii;
Escherichia
coli) 		PF00114
(Pilin)
PF13416
(SBP_bac_8) 		4 LYS A1094
ALA A1073
SER A1031
THR A1035
 None
 1.10A 4iklA-4xa2A:
undetectable
4iklB-4xa2A:
undetectable		 4iklA-4xa2A:
13.99
4iklB-4xa2A:
13.99
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.
4xpu ENDONUCLEASE V

(Escherichia
coli) 		PF04493
(Endonuclease_5) 		4 LEU A 152
ALA A 175
LEU A 159
SER A 117
 None
 1.11A 4iklA-4xpuA:
undetectable
4iklB-4xpuA:
undetectable		 4iklA-4xpuA:
18.89
4iklB-4xpuA:
18.89
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.
4ykb TETRAPYRROLE-BINDING
PROTEIN

(Chlamydomonas
reinhardtii) 		PF05419
(GUN4) 		4 LEU A 155
LEU A 152
THR A 147
SER A 145
 None
 1.14A 4iklA-4ykbA:
undetectable
4iklB-4ykbA:
undetectable		 4iklA-4ykbA:
18.03
4iklB-4ykbA:
18.03
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.
5aog CATIONIC PEROXIDASE
SPC4

(Sorghum bicolor) 		PF00141
(peroxidase) 		4 ALA A  73
LEU A  75
SER A 149
SER A 153
 HEM  A1341 (-3.7A)
None
None
None
 0.96A 4iklA-5aogA:
undetectable
4iklB-5aogA:
undetectable		 4iklA-5aogA:
16.56
4iklB-5aogA:
16.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aum HEAVY CHAIN OF FAB
FRAGMENT

(Rattus) 		no annotation 4 LYS H   1
SER H  76
THR H  28
SER H  30
 None
 1.13A 4iklA-5aumH:
3.3
4iklB-5aumH:
undetectable		 4iklA-5aumH:
20.34
4iklB-5aumH:
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.
5dze ENDO-GLUCANASE

(Vitis vinifera) 		PF00722
(Glyco_hydro_16) 		4 LEU A  78
LEU A 166
SER A  49
THR A  51
 None
 1.06A 4iklA-5dzeA:
undetectable
4iklB-5dzeA:
undetectable		 4iklA-5dzeA:
19.62
4iklB-5dzeA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7p CELL DIVISION
CONTROL PROTEIN
CDC48

(Mycolicibacterium
smegmatis) 		PF00004
(AAA)
PF02359
(CDC48_N) 		4 ALA A 182
SER A 112
THR A 114
SER A 198
 None
 0.69A 4iklA-5e7pA:
undetectable
4iklB-5e7pA:
undetectable		 4iklA-5e7pA:
10.47
4iklB-5e7pA:
10.47
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.
5fjn L-AMINO ACID
DEAMINASE

(Cosenzaea
myxofaciens) 		PF01266
(DAO) 		4 LYS A 324
LEU A 328
LEU A 329
SER A 413
 None
 1.00A 4iklA-5fjnA:
undetectable
4iklB-5fjnA:
undetectable		 4iklA-5fjnA:
15.42
4iklB-5fjnA:
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.
5for PHOSPHOINOSITIDE
3-KINASE ADAPTER
PROTEIN 1

(Homo sapiens) 		no annotation 4 LEU A  68
ALA A  70
LEU A  72
SER A  14
 None
 1.04A 4iklA-5forA:
undetectable
4iklB-5forA:
undetectable		 4iklA-5forA:
19.01
4iklB-5forA:
19.01
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.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		4 LEU A 356
LEU A 359
SER A 361
THR A 365
 None
 0.91A 4iklA-5fsaA:
undetectable
4iklB-5fsaA:
undetectable		 4iklA-5fsaA:
15.91
4iklB-5fsaA:
15.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h5w FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 2

(Escherichia
coli) 		PF07195
(FliD_C)
PF07196
(Flagellin_IN) 		4 LEU A 252
ALA A  81
THR A  79
SER A  78
 None
 1.13A 4iklA-5h5wA:
undetectable
4iklB-5h5wA:
undetectable		 4iklA-5h5wA:
19.90
4iklB-5h5wA:
19.90
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.
5hpi P-HYDROXYBENZOATE
HYDROXYLASE
TRANSCRIPTIONAL
ACTIVATOR

(Acinetobacter
sp. ADP1) 		PF01614
(IclR) 		4 LEU A 260
ALA A 224
LEU A 238
THR A 161
 None
None
None
3HB  A 301 (-3.6A)
 0.99A 4iklA-5hpiA:
undetectable
4iklB-5hpiA:
undetectable		 4iklA-5hpiA:
20.22
4iklB-5hpiA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihu BOVINE FAB B11 HEAVY
CHAIN

(Bos taurus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LYS H  13
LEU H  11
SER H  87
THR H  84
 None
 0.95A 4iklA-5ihuH:
undetectable
4iklB-5ihuH:
undetectable		 4iklA-5ihuH:
19.55
4iklB-5ihuH:
19.55
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.
5ilt BOVINE FAB A01 HEAVY
CHAIN

(Bos taurus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LYS H  13
LEU H  11
SER H  87
THR H  84
 None
 1.00A 4iklA-5iltH:
undetectable
4iklB-5iltH:
undetectable		 4iklA-5iltH:
16.91
4iklB-5iltH:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 4 LEU A 127
ALA A 223
LEU A 221
SER A 218
 None
 0.85A 4iklA-5mu5A:
undetectable
4iklB-5mu5A:
undetectable		 4iklA-5mu5A:
11.99
4iklB-5mu5A:
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 LEU A 113
SER A 128
THR A 130
SER A 232
 None
 0.46A 4iklA-5no8A:
undetectable
4iklB-5no8A:
1.8		 4iklA-5no8A:
13.14
4iklB-5no8A:
13.14
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.
5u4o ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bacillus
anthracis) 		PF00496
(SBP_bac_5) 		4 ALA A 422
SER A 176
THR A 423
SER A 172
 None
 1.06A 4iklA-5u4oA:
undetectable
4iklB-5u4oA:
undetectable		 4iklA-5u4oA:
15.61
4iklB-5u4oA:
15.61
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.
5usc PREPHENATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF02153
(PDH) 		4 ALA A  32
LEU A 149
THR A 178
SER A 180
 None
 0.84A 4iklA-5uscA:
undetectable
4iklB-5uscA:
undetectable		 4iklA-5uscA:
15.36
4iklB-5uscA:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vzj EXOSOME COMPLEX
EXONUCLEASE RRP6

(Saccharomyces
cerevisiae) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		4 LYS J 230
LEU J 226
LEU J 277
THR J 282
 None
 0.94A 4iklA-5vzjJ:
undetectable
4iklB-5vzjJ:
undetectable		 4iklA-5vzjJ:
11.64
4iklB-5vzjJ:
11.64
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.
5w81 CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR

(Danio rerio) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF14396
(CFTR_R) 		4 LEU A 601
ALA A 572
LEU A 570
SER A 490
 None
 0.98A 4iklA-5w81A:
undetectable
4iklB-5w81A:
undetectable		 4iklA-5w81A:
6.56
4iklB-5w81A:
6.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y0q UPF0348 PROTEIN
B4417_3650

(Bacillus
subtilis) 		no annotation 4 LEU A 223
ALA A 228
LEU A 226
SER A  62
 None
 1.14A 4iklA-5y0qA:
undetectable
4iklB-5y0qA:
undetectable		 4iklA-5y0qA:
undetectable
4iklB-5y0qA:
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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 4 ALA I 275
LEU I 264
THR I 271
SER I 157
 None
 1.10A 4iklA-6esqI:
undetectable
4iklB-6esqI:
undetectable		 4iklA-6esqI:
18.55
4iklB-6esqI:
18.55