SIMILAR PATTERNS OF AMINO ACIDS FOR 1ICT_C_T44C128_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.
1civ NADP-MALATE
DEHYDROGENASE

(Flaveria
bidentis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 154
ALA A  46
LEU A  79
SER A  48
VAL A 162
 None
None
NAP  A 386 ( 4.8A)
NAP  A 386 ( 4.7A)
None
 1.22A 1ictA-1civA:
0.0
1ictC-1civA:
undetectable		 1ictA-1civA:
15.80
1ictC-1civA:
15.80
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.
1cs1 PROTEIN
(CYSTATHIONINE
GAMMA-SYNTHASE)

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A  79
GLU A  65
ALA A  70
LEU A 222
VAL A  57
 None
 1.03A 1ictA-1cs1A:
undetectable
1ictC-1cs1A:
0.0		 1ictA-1cs1A:
15.24
1ictC-1cs1A:
15.24
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.
1e8c UDP-N-ACETYLMURAMOYL
ALANYL-D-GLUTAMATE--
2,6-DIAMINOPIMELATE
LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 312
LEU A 329
GLU A 297
LEU A 328
VAL A 308
 None
 1.16A 1ictA-1e8cA:
0.0
1ictC-1e8cA:
undetectable		 1ictA-1e8cA:
13.45
1ictC-1e8cA:
13.45
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.
1e8t HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		5 LEU A 492
LEU A 561
ALA A 546
SER A 529
THR A 527
 None
 1.06A 1ictA-1e8tA:
0.0
1ictC-1e8tA:
0.0		 1ictA-1e8tA:
15.56
1ictC-1e8tA:
15.56
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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		5 LEU A  64
ALA A  76
GLU A  86
ALA A  56
VAL A  91
 None
 1.26A 1ictA-1ekqA:
0.0
1ictC-1ekqA:
0.0		 1ictA-1ekqA:
18.52
1ictC-1ekqA:
18.52
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.
1few SECOND
MITOCHONDRIA-DERIVED
ACTIVATOR OF
CASPASES

(Homo sapiens) 		PF09057
(Smac_DIABLO) 		5 GLU A 114
ALA A 112
SER A  31
THR A  27
VAL A  23
 None
 1.26A 1ictA-1fewA:
undetectable
1ictC-1fewA:
undetectable		 1ictA-1fewA:
21.26
1ictC-1fewA:
21.26
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 LEU A  17
GLU A  54
ALA A 108
LEU A 110
SER A 117
 None
 0.86A 1ictA-1gkeA:
22.0
1ictC-1gkeA:
21.7		 1ictA-1gkeA:
83.33
1ictC-1gkeA:
83.33
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) 		6 LEU A  17
GLU A  54
ALA A 108
LEU A 110
THR A 119
VAL A 121
 None
 0.58A 1ictA-1gkeA:
22.0
1ictC-1gkeA:
21.7		 1ictA-1gkeA:
83.33
1ictC-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.
1om2 PROTEIN
(MITOCHONDRIAL
IMPORT RECEPTOR
SUBUNIT TOM20)

(Rattus
norvegicus) 		PF02064
(MAS20) 		5 LEU A  56
ALA A  46
GLU A  28
LEU A  72
VAL A  59
 None
 1.13A 1ictA-1om2A:
undetectable
1ictC-1om2A:
undetectable		 1ictA-1om2A:
20.47
1ictC-1om2A:
20.47
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.
1q5d P450 EPOXIDASE

(Sorangium
cellulosum) 		PF00067
(p450) 		5 ALA A  60
LEU A 328
ALA A 333
LEU A  52
VAL A 339
 None
 1.15A 1ictA-1q5dA:
undetectable
1ictC-1q5dA:
undetectable		 1ictA-1q5dA:
16.28
1ictC-1q5dA:
16.28
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) 		6 LEU A  17
GLU A  54
ALA A 108
LEU A 110
THR A 119
VAL A 121
 None
 0.58A 1ictA-1sn2A:
20.5
1ictC-1sn2A:
20.2		 1ictA-1sn2A:
54.62
1ictC-1sn2A:
54.62
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
GLU A  54
LEU A 110
VAL A 121
 None
 0.97A 1ictA-1sn2A:
20.5
1ictC-1sn2A:
20.2		 1ictA-1sn2A:
54.62
1ictC-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.
1szs 4-AMINOBUTYRATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 LEU A 263
ALA A 202
LEU A 148
GLU A 116
VAL A 279
 None
 1.17A 1ictA-1szsA:
0.0
1ictC-1szsA:
0.0		 1ictA-1szsA:
14.58
1ictC-1szsA:
14.58
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) 		7 LEU A  17
GLU A  54
ALA A 108
LEU A 110
SER A 117
THR A 119
VAL A 121
 None
 0.65A 1ictA-1tfpA:
19.5
1ictC-1tfpA:
19.5		 1ictA-1tfpA:
73.85
1ictC-1tfpA:
73.85
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
GLU A  54
LEU A 110
SER A 117
VAL A 121
 None
 0.91A 1ictA-1tfpA:
19.5
1ictC-1tfpA:
19.5		 1ictA-1tfpA:
73.85
1ictC-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.
1umb 2-OXO ACID
DEHYDROGENASE ALPHA
SUBUNIT

(Thermus
thermophilus) 		PF00676
(E1_dh) 		5 LEU A 100
ALA A  79
LEU A 265
THR A 172
VAL A  91
 None
 1.24A 1ictA-1umbA:
undetectable
1ictC-1umbA:
undetectable		 1ictA-1umbA:
14.67
1ictC-1umbA:
14.67
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.
1wdw TRYPTOPHAN SYNTHASE
BETA CHAIN 1

(Pyrococcus
furiosus) 		PF00291
(PALP) 		5 LEU B 182
ALA B  93
LEU B 121
ALA B 117
THR B 114
 None
 1.04A 1ictA-1wdwB:
undetectable
1ictC-1wdwB:
undetectable		 1ictA-1wdwB:
15.97
1ictC-1wdwB:
15.97
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.
1xnj BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1

(Homo sapiens) 		no annotation 5 LEU B 431
ALA B 429
LEU B 451
LEU B 449
SER B 416
 ADX  B2700 (-4.6A)
None
None
None
None
 1.26A 1ictA-1xnjB:
undetectable
1ictC-1xnjB:
undetectable		 1ictA-1xnjB:
11.43
1ictC-1xnjB:
11.43
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.
1yox HYPOTHETICAL PROTEIN
PA3696

(Pseudomonas
aeruginosa) 		PF01987
(AIM24) 		5 LEU A 149
ALA A 120
LEU A 154
THR A 124
VAL A 126
 None
 1.26A 1ictA-1yoxA:
undetectable
1ictC-1yoxA:
undetectable		 1ictA-1yoxA:
20.31
1ictC-1yoxA:
20.31
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.
1z3v CELLULASE

(Phanerochaete
chrysosporium) 		PF00840
(Glyco_hydro_7) 		5 LEU A 361
LEU A 117
LEU A 143
SER A 144
VAL A 105
 None
 1.17A 1ictA-1z3vA:
undetectable
1ictC-1z3vA:
undetectable		 1ictA-1z3vA:
14.92
1ictC-1z3vA:
14.92
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.
2d2n GIANT HEMOGLOBIN,
A2(A5) GLOBIN CHAIN

(Oligobrachia
mashikoi) 		PF00042
(Globin) 		5 LEU B  35
ALA B 111
LEU B  70
LEU B  67
SER B  63
 None
None
HEM  B 200 (-3.8A)
None
None
 1.18A 1ictA-2d2nB:
undetectable
1ictC-2d2nB:
undetectable		 1ictA-2d2nB:
20.26
1ictC-2d2nB:
20.26
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.
2ehh DIHYDRODIPICOLINATE
SYNTHASE

(Aquifex
aeolicus) 		PF00701
(DHDPS) 		5 ALA A 255
LEU A 239
GLU A 213
ALA A 206
VAL A   7
 None
 1.09A 1ictA-2ehhA:
undetectable
1ictC-2ehhA:
undetectable		 1ictA-2ehhA:
20.38
1ictC-2ehhA:
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.
2mii PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOB

(Escherichia
coli) 		PF13036
(LpoB) 		5 LEU A  88
ALA A 148
LEU A 134
LEU A 136
VAL A 122
 None
 1.25A 1ictA-2miiA:
undetectable
1ictC-2miiA:
undetectable		 1ictA-2miiA:
20.00
1ictC-2miiA:
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.
2mii PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOB

(Escherichia
coli) 		PF13036
(LpoB) 		5 LYS A 131
LEU A 127
ALA A 130
ALA A 157
VAL A  89
 None
 1.22A 1ictA-2miiA:
undetectable
1ictC-2miiA:
undetectable		 1ictA-2miiA:
20.00
1ictC-2miiA:
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.
2o3b SUGAR-NON-SPECIFIC
NUCLEASE INHIBITOR

(Nostoc sp. PCC
7120) 		PF07924
(NuiA) 		5 ALA B  70
LEU B  91
LEU B  19
THR B 130
VAL B 114
 None
 1.07A 1ictA-2o3bB:
undetectable
1ictC-2o3bB:
undetectable		 1ictA-2o3bB:
23.87
1ictC-2o3bB:
23.87
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.
2p5i BH3822 PROTEIN

(Bacillus
halodurans) 		PF03099
(BPL_LplA_LipB) 		5 LEU A 104
ALA A 239
LEU A  52
LEU A 108
VAL A  56
 None
 1.18A 1ictA-2p5iA:
undetectable
1ictC-2p5iA:
undetectable		 1ictA-2p5iA:
20.54
1ictC-2p5iA:
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.
2po2 PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Pyrococcus
abyssi) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU B 120
GLU B 185
ALA B 164
LEU B 162
VAL B 136
 None
None
None
MPD  B 280 (-4.8A)
None
 1.22A 1ictA-2po2B:
undetectable
1ictC-2po2B:
undetectable		 1ictA-2po2B:
19.32
1ictC-2po2B:
19.32
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.
2pop MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE
7-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF00481
(PP2C) 		5 LEU A 361
LEU A 178
ALA A 171
LEU A 173
VAL A  67
 None
 1.13A 1ictA-2popA:
undetectable
1ictC-2popA:
undetectable		 1ictA-2popA:
17.56
1ictC-2popA:
17.56
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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 170
ALA A 401
LEU A 403
SER A 391
THR A 393
 None
 0.91A 1ictA-2rjtA:
undetectable
1ictC-2rjtA:
undetectable		 1ictA-2rjtA:
14.32
1ictC-2rjtA:
14.32
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.
2vro ALDEHYDE
DEHYDROGENASE

(Paraburkholderia
xenovorans) 		PF00171
(Aldedh) 		5 LEU A 209
ALA A 169
LEU A 109
LEU A  69
VAL A 199
 None
 1.16A 1ictA-2vroA:
undetectable
1ictC-2vroA:
undetectable		 1ictA-2vroA:
12.78
1ictC-2vroA:
12.78
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.
2z11 RIBOSOMAL-PROTEIN-AL
ANINE
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF13302
(Acetyltransf_3) 		5 LEU A  96
LEU A  15
GLU A 108
SER A  79
THR A  94
 None
 1.25A 1ictA-2z11A:
undetectable
1ictC-2z11A:
undetectable		 1ictA-2z11A:
22.41
1ictC-2z11A:
22.41
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.
3a21 PUTATIVE SECRETED
ALPHA-GALACTOSIDASE

(Streptomyces
avermitilis) 		PF00652
(Ricin_B_lectin)
PF16499
(Melibiase_2) 		5 LEU A 400
ALA A 334
LYS A 359
ALA A 368
THR A 426
 None
 1.26A 1ictA-3a21A:
undetectable
1ictC-3a21A:
undetectable		 1ictA-3a21A:
13.13
1ictC-3a21A:
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.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		5 LEU A  74
ALA A 205
GLU A 178
ALA A 173
LEU A 169
 None
 1.06A 1ictA-3aqiA:
undetectable
1ictC-3aqiA:
undetectable		 1ictA-3aqiA:
14.16
1ictC-3aqiA:
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.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		5 LEU A 138
ALA A 134
SER A  72
THR A  76
VAL A  80
 None
 0.98A 1ictA-3bfgA:
undetectable
1ictC-3bfgA:
undetectable		 1ictA-3bfgA:
20.23
1ictC-3bfgA:
20.23
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.
3bt6 INFLUENZA B
HEMAGGLUTININ (HA)

(Influenza B
virus) 		PF00509
(Hemagglutinin) 		5 LEU B  58
ALA B  99
LEU A 326
LEU A  32
VAL B  60
 None
 1.14A 1ictA-3bt6B:
undetectable
1ictC-3bt6B:
undetectable		 1ictA-3bt6B:
25.15
1ictC-3bt6B:
25.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cvw RE11660P

(Drosophila
melanogaster) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 LEU A 296
LEU A 270
GLU A 232
LEU A 265
SER A 262
 None
None
None
FAD  A 521 (-4.4A)
FAD  A 521 (-3.2A)
 1.26A 1ictA-3cvwA:
undetectable
1ictC-3cvwA:
undetectable		 1ictA-3cvwA:
12.22
1ictC-3cvwA:
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.
3cvw RE11660P

(Drosophila
melanogaster) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 LEU A 296
LEU A 270
GLU A 232
LEU A 265
THR A 259
 None
None
None
FAD  A 521 (-4.4A)
FAD  A 521 (-2.9A)
 1.17A 1ictA-3cvwA:
undetectable
1ictC-3cvwA:
undetectable		 1ictA-3cvwA:
12.22
1ictC-3cvwA:
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.
3cxp GLUCOSAMINE
6-PHOSPHATE
N-ACETYLTRANSFERASE

(Homo sapiens) 		PF00583
(Acetyltransf_1) 		5 LEU A  41
ALA A 101
LEU A 103
THR A  87
VAL A  89
 None
 1.02A 1ictA-3cxpA:
undetectable
1ictC-3cxpA:
undetectable		 1ictA-3cxpA:
24.00
1ictC-3cxpA:
24.00
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) 		7 LYS A  15
LEU A  17
GLU A  54
ALA A 108
LEU A 110
THR A 119
VAL A 121
 IFA  A3000 (-3.0A)
IFA  A3000 ( 4.7A)
None
IFA  A3000 (-3.1A)
IFA  A3000 (-4.1A)
IFA  A3000 ( 4.9A)
None
 0.72A 1ictA-3fc8A:
22.9
1ictC-3fc8A:
22.9		 1ictA-3fc8A:
100.00
1ictC-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.
3fok UNCHARACTERIZED
PROTEIN CGL0159

(Corynebacterium
glutamicum) 		no annotation 5 LEU A 277
ALA A  49
LEU A  98
LEU A  73
VAL A 284
 None
 1.23A 1ictA-3fokA:
undetectable
1ictC-3fokA:
undetectable		 1ictA-3fokA:
18.45
1ictC-3fokA:
18.45
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.
3h4z MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH ALLERGEN
DERP7

(Dermatophagoides
pteronyssinus;
Escherichia
coli) 		PF13416
(SBP_bac_8)
PF16984
(Grp7_allergen) 		5 ALA A1032
LEU A1103
ALA A1101
LEU A1142
VAL A1099
 None
 1.16A 1ictA-3h4zA:
undetectable
1ictC-3h4zA:
undetectable		 1ictA-3h4zA:
12.55
1ictC-3h4zA:
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 LEU A  59
LEU A 200
ALA A 144
THR A 113
VAL A 111
 None
 1.05A 1ictA-3hnrA:
undetectable
1ictC-3hnrA:
undetectable		 1ictA-3hnrA:
19.27
1ictC-3hnrA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hrd NICOTINATE
DEHYDROGENASE MEDIUM
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF02738
(Ald_Xan_dh_C2) 		5 ALA B 156
LEU B 145
GLU B 114
ALA B 109
SER B 124
 None
 1.21A 1ictA-3hrdB:
undetectable
1ictC-3hrdB:
undetectable		 1ictA-3hrdB:
16.56
1ictC-3hrdB:
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.
3jz4 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
[NADP+]

(Escherichia
coli) 		PF00171
(Aldedh) 		6 LEU A 191
ALA A 195
LEU A 170
ALA A 166
LEU A  75
THR A 163
 None
 1.50A 1ictA-3jz4A:
undetectable
1ictC-3jz4A:
undetectable		 1ictA-3jz4A:
14.29
1ictC-3jz4A:
14.29
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.
3kiz PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Cytophaga
hutchinsonii) 		PF02769
(AIRS_C) 		5 LEU A  64
ALA A 212
LEU A 320
ALA A 256
LEU A 317
 None
 1.23A 1ictA-3kizA:
undetectable
1ictC-3kizA:
undetectable		 1ictA-3kizA:
16.92
1ictC-3kizA:
16.92
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.
3mmt FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Bartonella
henselae) 		PF00274
(Glycolytic) 		5 LYS A 223
GLU A 178
ALA A 261
LEU A  12
THR A 290
 2FP  A 350 (-2.2A)
2FP  A 350 (-2.6A)
None
None
None
 1.04A 1ictA-3mmtA:
undetectable
1ictC-3mmtA:
undetectable		 1ictA-3mmtA:
15.70
1ictC-3mmtA:
15.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nxs LAO/AO TRANSPORT
SYSTEM ATPASE

(Mycolicibacterium
smegmatis) 		PF03308
(ArgK) 		5 ALA A 144
GLU A 137
ALA A  25
LEU A  22
VAL A   7
 None
 1.23A 1ictA-3nxsA:
undetectable
1ictC-3nxsA:
undetectable		 1ictA-3nxsA:
19.40
1ictC-3nxsA:
19.40
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		5 ALA A 291
LEU A 321
GLU A 303
ALA A 285
LEU A 283
 None
 1.23A 1ictA-3oepA:
undetectable
1ictC-3oepA:
undetectable		 1ictA-3oepA:
13.32
1ictC-3oepA:
13.32
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.
3ot5 UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Listeria
monocytogenes) 		PF02350
(Epimerase_2) 		5 LEU A  22
ALA A  25
ALA A 356
THR A 176
VAL A 120
 None
 1.10A 1ictA-3ot5A:
undetectable
1ictC-3ot5A:
undetectable		 1ictA-3ot5A:
17.09
1ictC-3ot5A:
17.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pet PUTATIVE ADHESIN

(Bacteroides
fragilis) 		PF10988
(DUF2807) 		5 LEU A 176
LEU A 150
ALA A 171
LEU A 135
VAL A 194
 None
 1.20A 1ictA-3petA:
undetectable
1ictC-3petA:
undetectable		 1ictA-3petA:
22.62
1ictC-3petA:
22.62
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.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 LEU B1464
LEU B 280
LEU B 264
SER B 317
THR B 319
 None
 0.77A 1ictA-3prxB:
undetectable
1ictC-3prxB:
3.6		 1ictA-3prxB:
6.13
1ictC-3prxB:
6.13
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.
3rmg OCTAPRENYL-DIPHOSPHA
TE SYNTHASE

(Bacteroides
thetaiotaomicron) 		PF00348
(polyprenyl_synt) 		5 LEU A 272
ALA A 256
ALA A 243
LEU A 241
THR A 276
 None
 0.99A 1ictA-3rmgA:
undetectable
1ictC-3rmgA:
undetectable		 1ictA-3rmgA:
18.48
1ictC-3rmgA:
18.48
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.
3t7f UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME ATG7

(Saccharomyces
cerevisiae) 		PF16420
(ATG7_N) 		5 LEU A  46
GLU A 274
ALA A  12
THR A 208
VAL A  58
 None
 1.22A 1ictA-3t7fA:
undetectable
1ictC-3t7fA:
undetectable		 1ictA-3t7fA:
19.93
1ictC-3t7fA:
19.93
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.
3w8s GLUTATHIONE
S-TRANSFERASE-3

(Necator
americanus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 LYS A  73
ALA A  72
ALA A 156
LEU A 158
THR A  92
 None
 1.22A 1ictA-3w8sA:
undetectable
1ictC-3w8sA:
undetectable		 1ictA-3w8sA:
19.71
1ictC-3w8sA:
19.71
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.
3zef PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		5 LEU B1171
ALA B1047
LEU B1049
SER B1249
VAL B1041
 None
 1.13A 1ictA-3zefB:
undetectable
1ictC-3zefB:
undetectable		 1ictA-3zefB:
7.22
1ictC-3zefB:
7.22
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.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 LEU A 245
ALA A 192
ALA A 236
LEU A 174
VAL A 267
 None
 1.12A 1ictA-4b90A:
undetectable
1ictC-4b90A:
undetectable		 1ictA-4b90A:
13.10
1ictC-4b90A:
13.10
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.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 LEU A 245
ALA A 192
ALA A 236
LEU A 174
VAL A 267
 None
 1.14A 1ictA-4b92A:
undetectable
1ictC-4b92A:
undetectable		 1ictA-4b92A:
14.38
1ictC-4b92A:
14.38
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.
4bmv SHORT-CHAIN
DEHYDROGENASE

(Sphingobium
yanoikuyae) 		PF00106
(adh_short) 		5 LEU A  33
ALA A  18
GLU A  51
ALA A  25
VAL A  56
 None
 1.21A 1ictA-4bmvA:
undetectable
1ictC-4bmvA:
undetectable		 1ictA-4bmvA:
20.23
1ictC-4bmvA:
20.23
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.
4dx2 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 4

(Homo sapiens) 		PF00023
(Ank) 		5 LEU A 213
ALA A 217
LEU A 173
LEU A 170
VAL A 158
 None
 1.12A 1ictA-4dx2A:
undetectable
1ictC-4dx2A:
undetectable		 1ictA-4dx2A:
20.25
1ictC-4dx2A:
20.25
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.
4ex9 ALNA

(Streptomyces
sp. CM020) 		PF04227
(Indigoidine_A) 		5 LEU A  28
LEU A 286
ALA A 289
THR A 122
VAL A  26
 None
 1.19A 1ictA-4ex9A:
undetectable
1ictC-4ex9A:
undetectable		 1ictA-4ex9A:
19.75
1ictC-4ex9A:
19.75
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 11
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00420
(Oxidored_q2) 		5 LEU N 174
LEU K   5
ALA K   8
LEU K   4
SER K  41
 None
 1.05A 1ictA-4heaN:
undetectable
1ictC-4heaN:
undetectable		 1ictA-4heaN:
14.43
1ictC-4heaN:
14.43
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 13

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M) 		5 ALA M 202
LEU M 260
ALA M 297
LEU M 263
SER M 267
 None
 1.23A 1ictA-4heaM:
undetectable
1ictC-4heaM:
undetectable		 1ictA-4heaM:
13.33
1ictC-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.
4lom IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Mycobacterium
tuberculosis) 		PF00475
(IGPD) 		5 LEU A  49
ALA A  80
ALA A  64
THR A  40
VAL A  38
 None
 1.16A 1ictA-4lomA:
undetectable
1ictC-4lomA:
undetectable		 1ictA-4lomA:
20.28
1ictC-4lomA:
20.28
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.
4mes THIAMINE TRANSPORTER
THIT

(Lactococcus
lactis) 		PF09515
(Thia_YuaJ) 		5 LEU A 166
ALA A  95
LEU A  92
THR A 114
VAL A 110
 None
 1.14A 1ictA-4mesA:
undetectable
1ictC-4mesA:
undetectable		 1ictA-4mesA:
17.42
1ictC-4mesA:
17.42
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.
4n0g ABSCISIC ACID
RECEPTOR PYL13

(Arabidopsis
thaliana) 		PF10604
(Polyketide_cyc2) 		5 LEU C  28
LEU C  80
SER C 106
THR C 108
VAL C 110
 None
 1.20A 1ictA-4n0gC:
undetectable
1ictC-4n0gC:
undetectable		 1ictA-4n0gC:
20.12
1ictC-4n0gC:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		5 ALA L 428
LEU L 410
ALA L 419
LEU L 413
THR L 288
 None
 1.26A 1ictA-4u9iL:
undetectable
1ictC-4u9iL:
undetectable		 1ictA-4u9iL:
15.40
1ictC-4u9iL:
15.40
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.
4v36 LYSYL-TRNA-DEPENDENT
L-YSYL-PHOSPHATIDYLG
YCEROL SYNTHASE

(Bacillus
licheniformis) 		PF09924
(DUF2156) 		5 LEU A 826
LEU A 793
SER A 833
THR A 837
VAL A 841
 None
 1.26A 1ictA-4v36A:
undetectable
1ictC-4v36A:
undetectable		 1ictA-4v36A:
18.13
1ictC-4v36A:
18.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v3q YIII_M4_AII

(synthetic
construct) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 LEU A 248
LEU A 181
GLU A 219
ALA A 222
LEU A 184
 None
 1.09A 1ictA-4v3qA:
undetectable
1ictC-4v3qA:
undetectable		 1ictA-4v3qA:
18.57
1ictC-4v3qA:
18.57
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.
4wpx CELL DIVISION
CONTROL PROTEIN
31-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF00036
(EF-hand_1)
PF13499
(EF-hand_7) 		5 LEU A  43
ALA A  96
LEU A  55
GLU A  30
LEU A  52
 None
 1.15A 1ictA-4wpxA:
undetectable
1ictC-4wpxA:
undetectable		 1ictA-4wpxA:
18.44
1ictC-4wpxA:
18.44
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 LEU A 521
ALA A 602
LEU A 541
ALA A 545
VAL A 532
 None
 1.18A 1ictA-4zxiA:
undetectable
1ictC-4zxiA:
undetectable		 1ictA-4zxiA:
7.62
1ictC-4zxiA:
7.62
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.
5al7 SPINDLE ASSEMBLY
ABNORMAL PROTEIN 6
HOMOLOG

(Drosophila
melanogaster) 		PF16531
(SAS-6_N) 		5 LEU A 151
LEU A  47
LEU A  62
THR A  74
VAL A  76
 None
 0.76A 1ictA-5al7A:
undetectable
1ictC-5al7A:
undetectable		 1ictA-5al7A:
22.69
1ictC-5al7A:
22.69
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.
5bv3 M7GPPPX
DIPHOSPHATASE

(Saccharomyces
cerevisiae) 		PF05652
(DcpS)
PF11969
(DcpS_C) 		5 LEU A 115
ALA A 119
LEU A  33
LEU A  21
SER A  31
 None
 1.21A 1ictA-5bv3A:
undetectable
1ictC-5bv3A:
undetectable		 1ictA-5bv3A:
16.57
1ictC-5bv3A:
16.57
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.
5c54 DIHYDRODIPICOLINATE
SYNTHASE/N-ACETYLNEU
RAMINATE LYASE

(Corynebacterium
glutamicum) 		PF00701
(DHDPS) 		5 LEU A 216
LEU A 242
ALA A 223
LEU A 227
VAL A 219
 None
 1.04A 1ictA-5c54A:
undetectable
1ictC-5c54A:
undetectable		 1ictA-5c54A:
18.57
1ictC-5c54A:
18.57
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.
5cdn DNA GYRASE SUBUNIT A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV) 		5 LEU A 384
ALA A 387
LEU A 411
LEU A 417
SER A 418
 LEU  A 384 ( 0.5A)
ALA  A 387 ( 0.0A)
LEU  A 411 ( 0.5A)
LEU  A 417 ( 0.5A)
SER  A 418 ( 0.0A)
 1.24A 1ictA-5cdnA:
undetectable
1ictC-5cdnA:
undetectable		 1ictA-5cdnA:
14.55
1ictC-5cdnA:
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.
5cml OSMC FAMILY PROTEIN

(Rhodothermus
marinus) 		PF12146
(Hydrolase_4) 		5 LEU A 193
ALA A 248
LEU A  54
GLU A 242
VAL A 222
 None
 1.23A 1ictA-5cmlA:
undetectable
1ictC-5cmlA:
undetectable		 1ictA-5cmlA:
18.42
1ictC-5cmlA:
18.42
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.
5dld UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Burkholderia
vietnamiensis) 		PF02350
(Epimerase_2) 		5 LEU A  20
ALA A  23
ALA A 362
THR A 173
VAL A 117
 None
 1.13A 1ictA-5dldA:
undetectable
1ictC-5dldA:
undetectable		 1ictA-5dldA:
17.13
1ictC-5dldA:
17.13
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.
5e8k GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE 10,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00348
(polyprenyl_synt) 		5 LEU A 216
ALA A 220
ALA A  61
LEU A 296
VAL A  66
 None
 1.24A 1ictA-5e8kA:
undetectable
1ictC-5e8kA:
undetectable		 1ictA-5e8kA:
18.12
1ictC-5e8kA:
18.12
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.
5ed7 TEGUMENT PROTEIN
UL21

(Human
alphaherpesvirus
1) 		PF03252
(Herpes_UL21) 		5 LEU A 488
LEU A 466
ALA A 475
LEU A 463
THR A 479
 None
 1.26A 1ictA-5ed7A:
undetectable
1ictC-5ed7A:
undetectable		 1ictA-5ed7A:
18.65
1ictC-5ed7A:
18.65
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.
5enz UDP-GLCNAC
2-EPIMERASE

(Staphylococcus
aureus) 		PF02350
(Epimerase_2) 		5 LEU A  20
ALA A  23
ALA A 353
THR A 173
VAL A 117
 None
 1.11A 1ictA-5enzA:
undetectable
1ictC-5enzA:
undetectable		 1ictA-5enzA:
18.48
1ictC-5enzA:
18.48
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.
5gw4 T-COMPLEX PROTEIN 1
SUBUNIT GAMMA

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 LEU g 396
ALA g 399
ALA g 178
LEU g 176
VAL g 206
 None
 1.24A 1ictA-5gw4g:
undetectable
1ictC-5gw4g:
undetectable		 1ictA-5gw4g:
13.74
1ictC-5gw4g:
13.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h9d HEPTAPRENYL
DIPHOSPHATE SYNTHASE
(HEPPP SYNTHASE)
SUBUNIT 1 FAMILY
PROTEIN

(Staphylococcus
aureus) 		PF07307
(HEPPP_synt_1) 		5 LEU C  84
LEU C  76
SER C  54
THR C  50
VAL C  46
 None
 1.18A 1ictA-5h9dC:
undetectable
1ictC-5h9dC:
undetectable		 1ictA-5h9dC:
22.78
1ictC-5h9dC:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5je8 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Bacillus cereus) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 LEU A  81
GLU A  37
SER A  95
THR A  63
VAL A  61
 None
None
NAD  A 401 (-4.5A)
None
None
 1.13A 1ictA-5je8A:
undetectable
1ictC-5je8A:
undetectable		 1ictA-5je8A:
18.56
1ictC-5je8A:
18.56
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.
5k2m RIMK-RELATED LYSINE
BIOSYNTHESIS PROTEIN

(Thermococcus
kodakarensis) 		PF08443
(RimK) 		5 LEU A 155
LEU A  57
GLU A  79
SER A  52
VAL A 124
 None
 1.09A 1ictA-5k2mA:
undetectable
1ictC-5k2mA:
undetectable		 1ictA-5k2mA:
20.79
1ictC-5k2mA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzm TRYPTOPHAN SYNTHASE
BETA CHAIN

(Francisella
tularensis) 		PF00291
(PALP) 		5 LEU B 186
ALA B  97
LEU B 125
ALA B 121
THR B 118
 None
 1.12A 1ictA-5kzmB:
undetectable
1ictC-5kzmB:
undetectable		 1ictA-5kzmB:
14.94
1ictC-5kzmB:
14.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		5 ALA A 266
ALA A 275
SER A 294
THR A 270
VAL A 241
 None
 1.25A 1ictA-5kznA:
undetectable
1ictC-5kznA:
undetectable		 1ictA-5kznA:
12.22
1ictC-5kznA:
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.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		5 LEU A 159
ALA A 101
SER A 105
THR A 102
VAL A 169
 None
 1.26A 1ictA-5lrbA:
undetectable
1ictC-5lrbA:
undetectable		 1ictA-5lrbA:
9.23
1ictC-5lrbA:
9.23
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.
5mfd YIIIM''6AII

(synthetic
construct) 		PF00514
(Arm) 		5 LEU A 332
LEU A 265
GLU A 303
ALA A 306
LEU A 268
 None
 1.11A 1ictA-5mfdA:
undetectable
1ictC-5mfdA:
undetectable		 1ictA-5mfdA:
17.76
1ictC-5mfdA:
17.76
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.
5mfo YIIIM3AIII

(synthetic
construct) 		PF00514
(Arm) 		5 LEU A  61
ALA A  57
GLU A  27
LEU A  35
SER A  36
 None
 0.98A 1ictA-5mfoA:
undetectable
1ictC-5mfoA:
undetectable		 1ictA-5mfoA:
21.94
1ictC-5mfoA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mjv CAPSID SUBUNIT VP1
CAPSID SUBUNIT VP3

(Parechovirus A) 		no annotation 5 LEU A 159
LEU A  93
LEU A 199
SER A 200
VAL B  49
 None
 1.25A 1ictA-5mjvA:
undetectable
1ictC-5mjvA:
undetectable		 1ictA-5mjvA:
18.83
1ictC-5mjvA:
18.83
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.
5uxb MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH

(Brachybacterium
faecium) 		PF01636
(APH) 		5 LEU A  50
ALA A  36
LEU A  19
ALA A  12
LEU A   9
 None
 1.18A 1ictA-5uxbA:
undetectable
1ictC-5uxbA:
undetectable		 1ictA-5uxbA:
18.73
1ictC-5uxbA:
18.73
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A 791
ALA A 794
GLU A 805
ALA A 763
LEU A 498
 None
 1.11A 1ictA-5v9xA:
undetectable
1ictC-5v9xA:
undetectable		 1ictA-5v9xA:
19.67
1ictC-5v9xA:
19.67
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.
5vi6 HISTONE DEACETYLASE
8

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 LEU A 301
LEU A 126
ALA A 122
LEU A 165
THR A 119
 None
 1.26A 1ictA-5vi6A:
undetectable
1ictC-5vi6A:
undetectable		 1ictA-5vi6A:
16.49
1ictC-5vi6A:
16.49
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.
5viu ACETYLORNITHINE
AMINOTRANSFERASE

(Elizabethkingia
anophelis) 		PF00202
(Aminotran_3) 		5 LEU A 274
GLU A  91
ALA A 272
LEU A 257
VAL A 270
 None
 1.22A 1ictA-5viuA:
undetectable
1ictC-5viuA:
undetectable		 1ictA-5viuA:
15.74
1ictC-5viuA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wp6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 4

(Homo sapiens) 		no annotation 5 LEU A 952
GLU A 981
ALA A1008
SER A 961
VAL A1012
 None
 1.26A 1ictA-5wp6A:
undetectable
1ictC-5wp6A:
undetectable		 1ictA-5wp6A:
21.55
1ictC-5wp6A:
21.55
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.
6bbj TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL, SUBFAMILY
V, MEMBER 4

(Xenopus
tropicalis) 		no annotation 5 LEU A 209
ALA A 213
LEU A 169
LEU A 166
VAL A 154
 None
 1.07A 1ictA-6bbjA:
undetectable
1ictC-6bbjA:
undetectable		 1ictA-6bbjA:
21.54
1ictC-6bbjA:
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.
6c54 NUCLEOPROTEIN

(Zaire
ebolavirus) 		no annotation 5 LEU A 245
ALA A 332
LEU A 321
SER A 317
THR A 249
 None
 1.20A 1ictA-6c54A:
undetectable
1ictC-6c54A:
undetectable		 1ictA-6c54A:
18.90
1ictC-6c54A:
18.90
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.
6fn0 -

(-) 		no annotation 5 LEU A 271
LEU A 262
GLU A 223
LEU A 257
VAL A 232
 None
None
None
FAD  A 501 (-4.2A)
None
 1.22A 1ictA-6fn0A:
undetectable
1ictC-6fn0A:
undetectable		 1ictA-6fn0A:
undetectable
1ictC-6fn0A:
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.
6fn0 -

(-) 		no annotation 5 LEU A 288
LEU A 262
GLU A 223
LEU A 257
THR A 251
 None
None
None
FAD  A 501 (-4.2A)
FAD  A 501 (-2.7A)
 1.20A 1ictA-6fn0A:
undetectable
1ictC-6fn0A:
undetectable		 1ictA-6fn0A:
undetectable
1ictC-6fn0A:
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.
7mdh PROTEIN (MALATE
DEHYDROGENASE)

(Sorghum bicolor) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 157
ALA A  50
LEU A  83
SER A  52
VAL A 166
 None
 1.15A 1ictA-7mdhA:
undetectable
1ictC-7mdhA:
undetectable		 1ictA-7mdhA:
17.83
1ictC-7mdhA:
17.83
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.
7mdh PROTEIN (MALATE
DEHYDROGENASE)

(Sorghum bicolor) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 158
ALA A  50
LEU A  83
SER A  52
VAL A 166
 None
 1.15A 1ictA-7mdhA:
undetectable
1ictC-7mdhA:
undetectable		 1ictA-7mdhA:
17.83
1ictC-7mdhA:
17.83