SIMILAR PATTERNS OF AMINO ACIDS FOR 1IE4_A_T44A128_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.
1coj PROTEIN (SUPEROXIDE
DISMUTASE)

(Aquifex
pyrophilus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 GLU A 205
ALA A 200
LYS A 103
LEU A 140
GLU A 106
 None
 1.27A 1ie4A-1cojA:
0.0
1ie4C-1cojA:
0.0		 1ie4A-1cojA:
19.63
1ie4C-1cojA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1coj PROTEIN (SUPEROXIDE
DISMUTASE)

(Aquifex
pyrophilus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 LYS A 103
LEU A 140
GLU A 106
GLU A 205
ALA A 200
 None
 1.22A 1ie4A-1cojA:
0.0
1ie4C-1cojA:
0.0		 1ie4A-1cojA:
19.63
1ie4C-1cojA:
19.63
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
GLU A  54
ALA A 108
LEU A 110
 None
 0.68A 1ie4A-1gkeA:
22.9
1ie4C-1gkeA:
22.5		 1ie4A-1gkeA:
100.00
1ie4C-1gkeA:
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.
1h6g ALPHA-1 CATENIN

(Homo sapiens) 		PF01044
(Vinculin) 		5 GLU A 418
ALA A 420
LEU A 401
LEU A 469
ALA A 408
 None
 1.32A 1ie4A-1h6gA:
undetectable
1ie4C-1h6gA:
undetectable		 1ie4A-1h6gA:
19.74
1ie4C-1h6gA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h6g ALPHA-1 CATENIN

(Homo sapiens) 		PF01044
(Vinculin) 		5 LEU A 469
ALA A 408
GLU A 418
ALA A 420
LEU A 401
 None
 1.27A 1ie4A-1h6gA:
undetectable
1ie4C-1h6gA:
undetectable		 1ie4A-1h6gA:
19.74
1ie4C-1h6gA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		5 LYS A  82
GLU A  85
ALA A  78
ALA A 192
LEU A 190
 None
 1.23A 1ie4A-1hzoA:
0.0
1ie4C-1hzoA:
0.0		 1ie4A-1hzoA:
21.57
1ie4C-1hzoA:
21.57
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.
1jig DLP-2

(Bacillus
anthracis) 		PF00210
(Ferritin) 		5 LYS A  13
LEU A  21
GLU A 111
ALA A 104
LEU A 135
 None
 1.19A 1ie4A-1jigA:
undetectable
1ie4C-1jigA:
undetectable		 1ie4A-1jigA:
24.20
1ie4C-1jigA:
24.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1khd ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Pectobacterium
carotovorum) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 LEU A  20
GLU A  60
LEU A  48
ALA A  50
LEU A  43
 None
 1.30A 1ie4A-1khdA:
0.0
1ie4C-1khdA:
0.0		 1ie4A-1khdA:
16.67
1ie4C-1khdA:
16.67
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
ALA A 108
LEU A 110
 None
 0.47A 1ie4A-1sn2A:
20.4
1ie4C-1sn2A:
20.0		 1ie4A-1sn2A:
58.46
1ie4C-1sn2A:
58.46
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
ALA A 108
LEU A 110
 None
 0.65A 1ie4A-1sn2A:
20.4
1ie4C-1sn2A:
20.0		 1ie4A-1sn2A:
58.46
1ie4C-1sn2A:
58.46
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.
1sou 5,10-METHENYLTETRAHY
DROFOLATE SYNTHETASE

(Aquifex
aeolicus) 		PF01812
(5-FTHF_cyc-lig) 		5 LEU A  72
LEU A  70
LEU A  57
GLU A  54
LEU A  60
 None
 1.36A 1ie4A-1souA:
undetectable
1ie4C-1souA:
undetectable		 1ie4A-1souA:
21.84
1ie4C-1souA:
21.84
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.
1t3o CARBON STORAGE
REGULATOR

(Bacillus
subtilis) 		PF02599
(CsrA) 		5 LYS A  38
GLU A  -3
ALA A  36
LEU A   2
LEU A  49
 None
 1.26A 1ie4A-1t3oA:
0.0
1ie4C-1t3oA:
0.0		 1ie4A-1t3oA:
23.73
1ie4C-1t3oA:
23.73
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) 		5 LYS A  15
LEU A  17
GLU A  54
ALA A 108
LEU A 110
 None
 0.49A 1ie4A-1tfpA:
19.4
1ie4C-1tfpA:
19.2		 1ie4A-1tfpA:
76.92
1ie4C-1tfpA:
76.92
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) 		5 LYS A  15
LEU A  17
GLU A  54
ALA A 108
LEU A 110
 None
 0.57A 1ie4A-1tfpA:
19.4
1ie4C-1tfpA:
19.2		 1ie4A-1tfpA:
76.92
1ie4C-1tfpA:
76.92
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.
1ufo HYPOTHETICAL PROTEIN
TT1662

(Thermus
thermophilus) 		no annotation 5 LEU A  30
ALA A 110
LEU A  28
LEU A  44
LEU A  54
 None
 1.35A 1ie4A-1ufoA:
0.0
1ie4C-1ufoA:
0.0		 1ie4A-1ufoA:
20.00
1ie4C-1ufoA:
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.
1z23 CRK-ASSOCIATED
SUBSTRATE

(Rattus
norvegicus) 		PF08824
(Serine_rich) 		5 LEU A 561
ALA A 688
LEU A 564
ALA A 620
LEU A 617
 None
 1.21A 1ie4A-1z23A:
undetectable
1ie4C-1z23A:
undetectable		 1ie4A-1z23A:
23.21
1ie4C-1z23A:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dby GTP-BINDING PROTEIN

(Thermus
thermophilus) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 LEU A 150
ALA A 167
LEU A 163
LEU A 198
LEU A 193
 None
 1.21A 1ie4A-2dbyA:
undetectable
1ie4C-2dbyA:
undetectable		 1ie4A-2dbyA:
14.60
1ie4C-2dbyA:
14.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dby GTP-BINDING PROTEIN

(Thermus
thermophilus) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 LEU A 198
LEU A 193
LEU A 150
ALA A 167
LEU A 163
 None
 1.16A 1ie4A-2dbyA:
undetectable
1ie4C-2dbyA:
undetectable		 1ie4A-2dbyA:
14.60
1ie4C-2dbyA:
14.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE

(Thermus
thermophilus) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		5 LEU A 111
GLU A 260
LEU A 236
LEU A 255
GLU A 100
 None
 1.33A 1ie4A-2dfuA:
1.9
1ie4C-2dfuA:
undetectable		 1ie4A-2dfuA:
20.68
1ie4C-2dfuA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ejv L-THREONINE
3-DEHYDROGENASE

(Thermus
thermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 169
GLU A 237
LEU A 193
LEU A 202
LEU A 212
 None
 1.17A 1ie4A-2ejvA:
undetectable
1ie4C-2ejvA:
undetectable		 1ie4A-2ejvA:
20.31
1ie4C-2ejvA:
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.
2ejv L-THREONINE
3-DEHYDROGENASE

(Thermus
thermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 202
LEU A 212
LEU A 169
GLU A 237
LEU A 193
 None
 1.19A 1ie4A-2ejvA:
undetectable
1ie4C-2ejvA:
undetectable		 1ie4A-2ejvA:
20.31
1ie4C-2ejvA:
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.
2g7u TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		5 LEU A 182
ALA A 150
LEU A 108
ALA A 137
LEU A 146
 None
 1.29A 1ie4A-2g7uA:
undetectable
1ie4C-2g7uA:
undetectable		 1ie4A-2g7uA:
21.12
1ie4C-2g7uA:
21.12
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.
2hih LIPASE 46 KDA FORM

(Staphylococcus
hyicus) 		no annotation 5 LEU A 158
GLU A 144
LEU A 137
GLU A  72
ALA A  74
 None
None
None
ZN  A 601 (-2.0A)
None
 1.36A 1ie4A-2hihA:
undetectable
1ie4C-2hihA:
undetectable		 1ie4A-2hihA:
14.02
1ie4C-2hihA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hih LIPASE 46 KDA FORM

(Staphylococcus
hyicus) 		no annotation 5 LEU A 158
GLU A 144
LEU A 137
LEU A 132
GLU A  72
 None
None
None
None
ZN  A 601 (-2.0A)
 1.22A 1ie4A-2hihA:
undetectable
1ie4C-2hihA:
undetectable		 1ie4A-2hihA:
14.02
1ie4C-2hihA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nql ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 126
ALA A 122
LEU A 105
ALA A  87
LEU A  85
 None
 1.32A 1ie4A-2nqlA:
undetectable
1ie4C-2nqlA:
undetectable		 1ie4A-2nqlA:
16.21
1ie4C-2nqlA:
16.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		5 LEU A  34
LEU A  31
LEU A 102
ALA A 105
LEU A 101
 None
 1.32A 1ie4A-2qfqA:
undetectable
1ie4C-2qfqA:
undetectable		 1ie4A-2qfqA:
15.99
1ie4C-2qfqA:
15.99
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.
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		5 LEU A 102
ALA A 105
LEU A 101
LEU A  34
LEU A  31
 None
 1.34A 1ie4A-2qfqA:
undetectable
1ie4C-2qfqA:
undetectable		 1ie4A-2qfqA:
15.99
1ie4C-2qfqA:
15.99
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.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A  44
GLU A 191
LEU A 174
LEU A 171
LEU A 144
 None
 1.37A 1ie4A-2va8A:
undetectable
1ie4C-2va8A:
undetectable		 1ie4A-2va8A:
10.77
1ie4C-2va8A:
10.77
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.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A 171
LEU A 144
LEU A  44
GLU A 191
LEU A 174
 None
 1.32A 1ie4A-2va8A:
undetectable
1ie4C-2va8A:
undetectable		 1ie4A-2va8A:
10.77
1ie4C-2va8A:
10.77
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.
2wj3 1-H-3-HYDROXY-4-OXOQ
UINALDINE
2,4-DIOXYGENASE

(Paenarthrobacter
nitroguajacolicus) 		PF00561
(Abhydrolase_1) 		5 LEU A 110
LEU A 107
GLU A  93
ALA A 119
LEU A  96
 None
 1.31A 1ie4A-2wj3A:
undetectable
1ie4C-2wj3A:
undetectable		 1ie4A-2wj3A:
19.30
1ie4C-2wj3A:
19.30
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.
2wns OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		PF00156
(Pribosyltran) 		5 LEU A   8
GLU A 181
LEU A  11
LEU A 153
GLU A 156
 None
 1.24A 1ie4A-2wnsA:
undetectable
1ie4C-2wnsA:
undetectable		 1ie4A-2wnsA:
21.94
1ie4C-2wnsA:
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.
2wns OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		PF00156
(Pribosyltran) 		5 LEU A 153
GLU A 156
LEU A   8
GLU A 181
LEU A  11
 None
 1.27A 1ie4A-2wnsA:
undetectable
1ie4C-2wnsA:
undetectable		 1ie4A-2wnsA:
21.94
1ie4C-2wnsA:
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.
2yqy HYPOTHETICAL PROTEIN
TTHA0303

(Thermus
thermophilus) 		PF12867
(DinB_2) 		5 LEU A 113
GLU A  52
LEU A  25
LEU A 163
LEU A  27
 None
 1.28A 1ie4A-2yqyA:
undetectable
1ie4C-2yqyA:
undetectable		 1ie4A-2yqyA:
20.71
1ie4C-2yqyA:
20.71
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.
2z01 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Geobacillus
kaustophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLU A 200
LEU A 217
LYS A  69
LEU A  73
LEU A  74
 None
 1.37A 1ie4A-2z01A:
undetectable
1ie4C-2z01A:
undetectable		 1ie4A-2z01A:
18.55
1ie4C-2z01A:
18.55
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.
2z01 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Geobacillus
kaustophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 LYS A  69
LEU A  73
LEU A  74
GLU A 200
LEU A 217
 None
 1.35A 1ie4A-2z01A:
undetectable
1ie4C-2z01A:
undetectable		 1ie4A-2z01A:
18.55
1ie4C-2z01A:
18.55
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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		5 LEU A 227
GLU A 232
ALA A 147
LEU A 152
ALA A 212
 None
 1.23A 1ie4A-3ccfA:
undetectable
1ie4C-3ccfA:
undetectable		 1ie4A-3ccfA:
17.99
1ie4C-3ccfA:
17.99
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.
3d8n UROPORPHYRINOGEN-III
SYNTHASE

(Thermus
thermophilus) 		PF02602
(HEM4) 		5 LEU A 152
LEU A  48
LEU A  73
ALA A  69
LEU A  75
 None
 1.27A 1ie4A-3d8nA:
undetectable
1ie4C-3d8nA:
undetectable		 1ie4A-3d8nA:
21.77
1ie4C-3d8nA:
21.77
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
GLU A  54
ALA A 108
LEU A 110
 IFA  A3000 (-3.0A)
IFA  A3000 ( 4.7A)
None
IFA  A3000 (-3.1A)
IFA  A3000 (-4.1A)
 0.62A 1ie4A-3fc8A:
22.6
1ie4C-3fc8A:
22.6		 1ie4A-3fc8A:
83.87
1ie4C-3fc8A:
83.87
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
GLU A  54
ALA A 108
LEU A 110
 IFA  A3000 (-3.0A)
IFA  A3000 ( 4.7A)
None
IFA  A3000 (-3.1A)
IFA  A3000 (-4.1A)
 0.76A 1ie4A-3fc8A:
22.6
1ie4C-3fc8A:
22.6		 1ie4A-3fc8A:
83.87
1ie4C-3fc8A:
83.87
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.
3h39 TRNA NUCLEOTIDYL
TRANSFERASE-RELATED
PROTEIN

(Thermotoga
maritima) 		PF01743
(PolyA_pol)
PF12627
(PolyA_pol_RNAbd) 		5 GLU A 317
ALA A 320
LYS A 259
ALA A 353
LEU A 355
 None
 1.33A 1ie4A-3h39A:
undetectable
1ie4C-3h39A:
undetectable		 1ie4A-3h39A:
16.40
1ie4C-3h39A:
16.40
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.
3le1 PHOSPHOTRANSFERASE
SYSTEM, HPR-RELATED
PROTEINS

(Caldanaerobacter
subterraneus) 		PF00381
(PTS-HPr) 		5 LEU A  77
ALA A  73
LEU A  63
LYS A  45
ALA A  44
 None
 1.37A 1ie4A-3le1A:
undetectable
1ie4C-3le1A:
undetectable		 1ie4A-3le1A:
22.13
1ie4C-3le1A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3le1 PHOSPHOTRANSFERASE
SYSTEM, HPR-RELATED
PROTEINS

(Caldanaerobacter
subterraneus) 		PF00381
(PTS-HPr) 		5 LYS A  45
ALA A  44
LEU A  77
ALA A  73
LEU A  63
 None
 1.22A 1ie4A-3le1A:
undetectable
1ie4C-3le1A:
undetectable		 1ie4A-3le1A:
22.13
1ie4C-3le1A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lx2 DNA POLYMERASE
SLIDING CLAMP 2

(Thermococcus
kodakarensis) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 GLU A 190
ALA A 134
LEU A 187
GLU A 162
LEU A 179
 None
 1.31A 1ie4A-3lx2A:
undetectable
1ie4C-3lx2A:
undetectable		 1ie4A-3lx2A:
22.58
1ie4C-3lx2A:
22.58
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.
3nz4 PHENYLALANINE
AMMONIA-LYASE

(Taxus
canadensis) 		PF00221
(Lyase_aromatic) 		5 LEU A 529
ALA A 532
LEU A 528
LEU A 592
LEU A 588
 None
 1.35A 1ie4A-3nz4A:
undetectable
1ie4C-3nz4A:
undetectable		 1ie4A-3nz4A:
11.16
1ie4C-3nz4A:
11.16
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.
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
 1.10A 1ie4A-3oepA:
undetectable
1ie4C-3oepA:
undetectable		 1ie4A-3oepA:
13.96
1ie4C-3oepA:
13.96
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.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988

(Thermus
thermophilus) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		5 LEU A 321
GLU A 303
ALA A 285
LEU A 283
ALA A 291
 None
 0.99A 1ie4A-3oepA:
undetectable
1ie4C-3oepA:
undetectable		 1ie4A-3oepA:
13.96
1ie4C-3oepA:
13.96
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.
3ozb METHYLTHIOADENOSINE
PHOSPHORYLASE

(Pseudomonas
aeruginosa) 		PF01048
(PNP_UDP_1) 		5 ALA A  86
LEU A  84
GLU A  60
ALA A  19
LEU A  64
 None
None
SO4  A 262 (-3.1A)
None
None
 0.94A 1ie4A-3ozbA:
undetectable
1ie4C-3ozbA:
undetectable		 1ie4A-3ozbA:
22.17
1ie4C-3ozbA:
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.
3ozb METHYLTHIOADENOSINE
PHOSPHORYLASE

(Pseudomonas
aeruginosa) 		PF01048
(PNP_UDP_1) 		5 LEU A  51
GLU A  60
ALA A  19
LEU A  64
LEU A  84
 None
SO4  A 262 (-3.1A)
None
None
None
 1.11A 1ie4A-3ozbA:
undetectable
1ie4C-3ozbA:
undetectable		 1ie4A-3ozbA:
22.17
1ie4C-3ozbA:
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.
3ozb METHYLTHIOADENOSINE
PHOSPHORYLASE

(Pseudomonas
aeruginosa) 		PF01048
(PNP_UDP_1) 		5 LEU A 213
LEU A  84
GLU A  60
ALA A  19
LEU A  64
 None
None
SO4  A 262 (-3.1A)
None
None
 1.04A 1ie4A-3ozbA:
undetectable
1ie4C-3ozbA:
undetectable		 1ie4A-3ozbA:
22.17
1ie4C-3ozbA:
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.
3pop GILR OXIDASE

(Streptomyces
griseoflavus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 112
ALA A 219
LEU A 216
LEU A 142
LEU A 146
 None
 1.17A 1ie4A-3popA:
0.8
1ie4C-3popA:
undetectable		 1ie4A-3popA:
13.03
1ie4C-3popA:
13.03
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.
3py7 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PAXILLIN
LD1,PROTEIN E6
CHIMERA

(Deltapapillomavirus
4;
Escherichia
coli;
Homo sapiens) 		PF00518
(E6)
PF01547
(SBP_bac_1) 		5 LEU A 379
ALA A 377
LEU A 375
ALA A 435
LEU A 404
 None
 1.24A 1ie4A-3py7A:
undetectable
1ie4C-3py7A:
undetectable		 1ie4A-3py7A:
13.83
1ie4C-3py7A:
13.83
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.
3s4w FANCONI ANEMIA GROUP
D2 PROTEIN HOMOLOG

(Mus musculus) 		PF14631
(FancD2) 		5 LEU B1184
GLU B1239
LEU B1180
ALA B1157
LEU B1130
 None
 1.31A 1ie4A-3s4wB:
undetectable
1ie4C-3s4wB:
undetectable		 1ie4A-3s4wB:
8.05
1ie4C-3s4wB:
8.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u0h XYLOSE ISOMERASE
DOMAIN PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF01261
(AP_endonuc_2) 		5 LYS A 197
GLU A 196
ALA A 173
LEU A 137
LEU A 156
 None
 1.23A 1ie4A-3u0hA:
undetectable
1ie4C-3u0hA:
undetectable		 1ie4A-3u0hA:
14.54
1ie4C-3u0hA:
14.54
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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 LEU A 304
LEU A 379
LEU A 336
GLU A 297
LEU A 333
 None
 1.29A 1ie4A-3uhjA:
undetectable
1ie4C-3uhjA:
undetectable		 1ie4A-3uhjA:
16.45
1ie4C-3uhjA:
16.45
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.
3viu PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 2

(Thermus
thermophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 LEU A 508
ALA A 506
LEU A  54
GLU A 500
LEU A  50
 None
 1.36A 1ie4A-3viuA:
undetectable
1ie4C-3viuA:
undetectable		 1ie4A-3viuA:
10.48
1ie4C-3viuA:
10.48
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.
4c8y CAS6A

(Thermus
thermophilus) 		PF10040
(CRISPR_Cas6) 		5 LEU A 151
LEU A 148
LEU A 118
ALA A 213
LEU A 211
 None
 1.36A 1ie4A-4c8yA:
undetectable
1ie4C-4c8yA:
undetectable		 1ie4A-4c8yA:
20.59
1ie4C-4c8yA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ckk DNA GYRASE SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV) 		5 LEU A 450
ALA A 386
LEU A 410
LEU A 461
ALA A 457
 None
 1.31A 1ie4A-4ckkA:
undetectable
1ie4C-4ckkA:
undetectable		 1ie4A-4ckkA:
17.69
1ie4C-4ckkA:
17.69
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.
4ckk DNA GYRASE SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV) 		5 LEU A 461
ALA A 457
LEU A 450
ALA A 386
LEU A 410
 None
 1.34A 1ie4A-4ckkA:
undetectable
1ie4C-4ckkA:
undetectable		 1ie4A-4ckkA:
17.69
1ie4C-4ckkA:
17.69
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.
4ely DNA GYRASE SUBUNIT A

(Shigella
flexneri) 		PF00521
(DNA_topoisoIV) 		5 LEU A 450
ALA A 386
LEU A 410
LEU A 461
ALA A 457
 None
 1.36A 1ie4A-4elyA:
undetectable
1ie4C-4elyA:
undetectable		 1ie4A-4elyA:
20.12
1ie4C-4elyA:
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.
4fai CG5976, ISOFORM B

(Drosophila
melanogaster) 		PF04389
(Peptidase_M28) 		5 ALA A 165
LEU A 161
LEU A 124
ALA A 122
LEU A 182
 None
 1.17A 1ie4A-4faiA:
undetectable
1ie4C-4faiA:
undetectable		 1ie4A-4faiA:
15.45
1ie4C-4faiA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fai CG5976, ISOFORM B

(Drosophila
melanogaster) 		PF04389
(Peptidase_M28) 		5 LEU A 124
ALA A 122
LEU A 182
ALA A 165
LEU A 161
 None
 1.19A 1ie4A-4faiA:
undetectable
1ie4C-4faiA:
undetectable		 1ie4A-4faiA:
15.45
1ie4C-4faiA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fb3 LARGE T ANTIGEN

(Mus musculus
polyomavirus 1) 		PF02217
(T_Ag_DNA_bind) 		5 LYS A 362
LEU A 314
LYS A 321
LEU A 325
LEU A 348
 None
 1.32A 1ie4A-4fb3A:
undetectable
1ie4C-4fb3A:
undetectable		 1ie4A-4fb3A:
21.38
1ie4C-4fb3A:
21.38
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.
4fwg TTC1975 PEPTIDASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C)
PF13654
(AAA_32) 		5 LEU A 588
ALA A 590
LEU A 592
LEU A 684
ALA A 680
 None
 1.31A 1ie4A-4fwgA:
undetectable
1ie4C-4fwgA:
undetectable		 1ie4A-4fwgA:
12.04
1ie4C-4fwgA:
12.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ga6 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 GLU A 382
ALA A 340
LEU A 350
GLU A 352
ALA A 354
 None
 1.25A 1ie4A-4ga6A:
undetectable
1ie4C-4ga6A:
undetectable		 1ie4A-4ga6A:
12.93
1ie4C-4ga6A:
12.93
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 11
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 14

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00420
(Oxidored_q2) 		5 LEU K   5
ALA K   8
LEU K   4
LEU N 174
LEU N 153
 None
 1.34A 1ie4A-4heaK:
undetectable
1ie4C-4heaK:
undetectable		 1ie4A-4heaK:
23.48
1ie4C-4heaK:
23.48
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.
4n83 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
SUBUNIT BETA

(Streptococcus
sanguinis) 		PF00268
(Ribonuc_red_sm) 		5 LEU A 156
LEU A 160
LEU A  64
ALA A 134
LEU A 130
 None
 1.37A 1ie4A-4n83A:
undetectable
1ie4C-4n83A:
undetectable		 1ie4A-4n83A:
16.93
1ie4C-4n83A:
16.93
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.
4qan HYPOTHETICAL PROTEIN

([Ruminococcus]
gnavus) 		no annotation 5 LEU A 271
GLU A  35
ALA A 243
ALA A 122
LEU A 287
 None
 1.36A 1ie4A-4qanA:
undetectable
1ie4C-4qanA:
undetectable		 1ie4A-4qanA:
15.46
1ie4C-4qanA:
15.46
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.
4qfk ABC TRANSPORTER
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Pseudoalteromonas
sp. SM9913) 		no annotation 5 LEU H 448
ALA H 452
LEU H 447
GLU H 300
ALA H 460
 None
 1.24A 1ie4A-4qfkH:
undetectable
1ie4C-4qfkH:
undetectable		 1ie4A-4qfkH:
14.25
1ie4C-4qfkH:
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.
4r7s TETRATRICOPEPTIDE
REPEAT PROTEIN

(Parabacteroides
merdae) 		PF13432
(TPR_16) 		5 LEU A 187
LEU A 197
LEU A 204
GLU A 179
ALA A 168
 None
 1.36A 1ie4A-4r7sA:
undetectable
1ie4C-4r7sA:
undetectable		 1ie4A-4r7sA:
19.85
1ie4C-4r7sA:
19.85
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.
4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		5 LEU A 410
GLU A  16
LEU A 407
LEU A 240
ALA A 243
 None
 1.34A 1ie4A-4r7uA:
undetectable
1ie4C-4r7uA:
undetectable		 1ie4A-4r7uA:
15.31
1ie4C-4r7uA:
15.31
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.
4v3q YIII_M4_AII

(synthetic
construct) 		PF00514
(Arm)
PF16186
(Arm_3) 		5 LEU A 181
GLU A 219
ALA A 222
LEU A 184
LEU A 248
 None
 1.00A 1ie4A-4v3qA:
undetectable
1ie4C-4v3qA:
undetectable		 1ie4A-4v3qA:
18.62
1ie4C-4v3qA:
18.62
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.
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
 1.00A 1ie4A-4v3qA:
undetectable
1ie4C-4v3qA:
undetectable		 1ie4A-4v3qA:
18.62
1ie4C-4v3qA:
18.62
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.
4wp0 KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 1

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 LEU A 180
LEU A 178
LEU A 198
GLU A 194
LEU A 202
 None
 1.37A 1ie4A-4wp0A:
undetectable
1ie4C-4wp0A:
undetectable		 1ie4A-4wp0A:
14.75
1ie4C-4wp0A:
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.
4xa2 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MBP-PILA: C

(Acinetobacter
baumannii;
Escherichia
coli) 		PF00114
(Pilin)
PF13416
(SBP_bac_8) 		5 LEU A1067
LYS A1050
LEU A1059
GLU A1053
ALA A1047
 None
 1.26A 1ie4A-4xa2A:
undetectable
1ie4C-4xa2A:
undetectable		 1ie4A-4xa2A:
15.32
1ie4C-4xa2A:
15.32
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.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ALA A 101
LEU A 103
LEU A  88
GLU A  61
ALA A  86
 None
 1.09A 1ie4A-4ynnA:
undetectable
1ie4C-4ynnA:
undetectable		 1ie4A-4ynnA:
13.73
1ie4C-4ynnA:
13.73
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.
5bq2 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
aeruginosa) 		PF00275
(EPSP_synthase) 		5 LEU A 412
GLU A  15
LEU A 409
LEU A 242
ALA A 245
 None
 1.35A 1ie4A-5bq2A:
undetectable
1ie4C-5bq2A:
undetectable		 1ie4A-5bq2A:
14.22
1ie4C-5bq2A:
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.
5cyr RNA-DEPENDENT RNA
POLYMERASE

(Thosea asigna
virus) 		no annotation 5 LEU B 569
LEU B 568
GLU B 577
ALA B 579
LEU B 532
 None
 1.32A 1ie4A-5cyrB:
undetectable
1ie4C-5cyrB:
undetectable		 1ie4A-5cyrB:
12.05
1ie4C-5cyrB:
12.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d91 AF2299
PROTEIN,PHOSPHATIDYL
INOSITOL SYNTHASE

(Archaeoglobus
fulgidus;
Renibacterium
salmoninarum) 		PF01066
(CDP-OH_P_transf) 		5 LEU A -71
ALA A  -5
LEU A  -1
LEU A -13
LEU A-110
 None
 1.34A 1ie4A-5d91A:
undetectable
1ie4C-5d91A:
undetectable		 1ie4A-5d91A:
17.52
1ie4C-5d91A:
17.52
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.
5dd8 TRANSCRIPTIONAL
REGULATOR, MARR
FAMILY

(Deinococcus
radiodurans) 		PF12802
(MarR_2) 		5 LEU A  46
LEU A  42
LYS A   8
LEU A  12
ALA A  10
 None
 1.33A 1ie4A-5dd8A:
undetectable
1ie4C-5dd8A:
undetectable		 1ie4A-5dd8A:
22.50
1ie4C-5dd8A:
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.
5dih MICROCOMPARTMENTS
PROTEIN

(Haliangium
ochraceum) 		PF00936
(BMC) 		5 GLU A  72
ALA A  40
LEU A  25
GLU A  93
LEU A  61
 None
 1.21A 1ie4A-5dihA:
undetectable
1ie4C-5dihA:
undetectable		 1ie4A-5dihA:
22.33
1ie4C-5dihA:
22.33
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.
5dih MICROCOMPARTMENTS
PROTEIN

(Haliangium
ochraceum) 		PF00936
(BMC) 		5 LEU A  25
GLU A  93
LEU A  61
GLU A  72
ALA A  40
 None
 1.20A 1ie4A-5dihA:
undetectable
1ie4C-5dihA:
undetectable		 1ie4A-5dihA:
22.33
1ie4C-5dihA:
22.33
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		5 LEU A 220
GLU A 620
LYS A 199
LEU A 196
GLU A 332
 None
 1.30A 1ie4A-5h42A:
1.4
1ie4C-5h42A:
0.7		 1ie4A-5h42A:
8.14
1ie4C-5h42A:
8.14
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.
5h4v GLUTAMATE--TRNA
LIGASE

(Xanthomonas
oryzae) 		no annotation 5 LEU A 428
LEU A 417
GLU A 393
ALA A 413
LEU A 419
 None
 1.31A 1ie4A-5h4vA:
undetectable
1ie4C-5h4vA:
undetectable		 1ie4A-5h4vA:
13.70
1ie4C-5h4vA:
13.70
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.
5hlh MARR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Staphylococcus
epidermidis) 		PF01047
(MarR) 		5 LEU A  47
GLU A  50
LEU A  44
LEU A  62
LEU A  42
 None
 1.26A 1ie4A-5hlhA:
undetectable
1ie4C-5hlhA:
undetectable		 1ie4A-5hlhA:
22.93
1ie4C-5hlhA:
22.93
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.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		5 LEU A 532
LEU A 528
LEU A 501
GLU A 494
LEU A 389
 None
 1.33A 1ie4A-5j84A:
undetectable
1ie4C-5j84A:
undetectable		 1ie4A-5j84A:
14.08
1ie4C-5j84A:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jvk UNCHARACTERIZED
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 5 GLU A 100
ALA A 113
LEU A 103
LEU A  39
ALA A  54
 None
 1.29A 1ie4A-5jvkA:
4.2
1ie4C-5jvkA:
3.1		 1ie4A-5jvkA:
13.63
1ie4C-5jvkA:
13.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kd0 AROMATIC
PRENYLTRANSFERASE

(Aspergillus
terreus) 		PF11991
(Trp_DMAT) 		5 GLU A 337
ALA A 227
LEU A 231
ALA A 330
LEU A 265
 None
 1.33A 1ie4A-5kd0A:
undetectable
1ie4C-5kd0A:
undetectable		 1ie4A-5kd0A:
15.18
1ie4C-5kd0A:
15.18
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.
5kod INDOLE-3-ACETIC
ACID-AMIDO
SYNTHETASE GH3.5

(Arabidopsis
thaliana) 		PF03321
(GH3) 		5 LEU A 474
ALA A 470
LEU A 481
GLU A 517
LEU A 499
 None
 1.15A 1ie4A-5kodA:
undetectable
1ie4C-5kodA:
undetectable		 1ie4A-5kodA:
11.44
1ie4C-5kodA:
11.44
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.
5liv CYTOCHROME P450
CYP260A1,CYTOCHROME
P450 CYP260A1

(Sorangium
cellulosum) 		PF00067
(p450) 		5 LEU A 404
LEU A 408
GLU A 317
ALA A 315
LEU A 311
 None
 1.32A 1ie4A-5livA:
undetectable
1ie4C-5livA:
undetectable		 1ie4A-5livA:
14.95
1ie4C-5livA:
14.95
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.
5mfd YIIIM''6AII

(synthetic
construct) 		PF00514
(Arm) 		5 LEU A 265
GLU A 303
ALA A 306
LEU A 268
LEU A 332
 None
 1.08A 1ie4A-5mfdA:
undetectable
1ie4C-5mfdA:
undetectable		 1ie4A-5mfdA:
17.78
1ie4C-5mfdA:
17.78
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.
5mfd YIIIM''6AII

(synthetic
construct) 		PF00514
(Arm) 		5 LEU A 332
LEU A 265
GLU A 303
ALA A 306
LEU A 268
 None
 1.07A 1ie4A-5mfdA:
undetectable
1ie4C-5mfdA:
undetectable		 1ie4A-5mfdA:
17.78
1ie4C-5mfdA:
17.78
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.
5mfo YIIIM3AIII

(synthetic
construct) 		PF00514
(Arm) 		5 ALA A  99
LEU A  97
LEU A  74
ALA A 118
LEU A  77
 None
 1.36A 1ie4A-5mfoA:
undetectable
1ie4C-5mfoA:
undetectable		 1ie4A-5mfoA:
20.39
1ie4C-5mfoA:
20.39
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.
5mfo YIIIM3AIII

(synthetic
construct) 		PF00514
(Arm) 		5 LEU A  74
ALA A 118
LEU A  77
ALA A  99
LEU A  97
 None
 1.30A 1ie4A-5mfoA:
undetectable
1ie4C-5mfoA:
undetectable		 1ie4A-5mfoA:
20.39
1ie4C-5mfoA:
20.39
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.
5tcb PELA

(Pseudomonas
aeruginosa) 		PF03537
(Glyco_hydro_114) 		5 LEU A 143
ALA A 146
LEU A 142
LEU A 196
LEU A 159
 None
 1.21A 1ie4A-5tcbA:
undetectable
1ie4C-5tcbA:
undetectable		 1ie4A-5tcbA:
19.15
1ie4C-5tcbA:
19.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vip MDCD

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 GLU B  77
LEU B 116
GLU B  33
ALA B  74
LEU B 113
 None
 1.22A 1ie4A-5vipB:
undetectable
1ie4C-5vipB:
undetectable		 1ie4A-5vipB:
15.60
1ie4C-5vipB:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vip MDCD

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 GLU B  77
LEU B 116
LEU B  73
GLU B  33
LEU B 113
 None
 1.20A 1ie4A-5vipB:
undetectable
1ie4C-5vipB:
undetectable		 1ie4A-5vipB:
15.60
1ie4C-5vipB:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vip MDCD

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 LEU B  73
GLU B  33
LEU B 113
GLU B  77
LEU B 116
 None
 1.33A 1ie4A-5vipB:
undetectable
1ie4C-5vipB:
undetectable		 1ie4A-5vipB:
15.60
1ie4C-5vipB:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 LYS C4070
GLU C4069
ALA C4073
LEU C3857
GLU C4030
 None
 1.37A 1ie4A-5y3rC:
undetectable
1ie4C-5y3rC:
undetectable		 1ie4A-5y3rC:
3.15
1ie4C-5y3rC:
3.15
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.
5ylz PRE-MRNA-SPLICING
FACTOR CEF1

(Saccharomyces
cerevisiae) 		no annotation 5 GLU J  68
ALA J  71
LEU J  76
LEU J 105
GLU J  64
 None
 1.31A 1ie4A-5ylzJ:
undetectable
1ie4C-5ylzJ:
undetectable		 1ie4A-5ylzJ:
undetectable
1ie4C-5ylzJ:
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.
6emk TARGET OF RAPAMYCIN
COMPLEX SUBUNIT LST8

(Saccharomyces
cerevisiae) 		no annotation 5 LEU B 214
ALA B 223
LEU B 265
ALA B 257
LEU B 279
 None
 1.18A 1ie4A-6emkB:
undetectable
1ie4C-6emkB:
undetectable		 1ie4A-6emkB:
21.74
1ie4C-6emkB:
21.74