SIMILAR PATTERNS OF AMINO ACIDS FOR 1IE4_B_T44B328_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.
1bvu PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermococcus
litoralis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 ALA A  94
LEU A  98
ALA A 344
THR A 348
 None
 0.92A 1ie4B-1bvuA:
undetectable
1ie4D-1bvuA:
undetectable		 1ie4B-1bvuA:
16.71
1ie4D-1bvuA:
16.71
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.
1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT

(Escherichia
coli) 		PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 GLU A 217
GLU A 383
ALA A 314
THR A 315
 K  A4017 (-3.6A)
None
None
None
 0.91A 1ie4B-1c30A:
1.3
1ie4D-1c30A:
1.0		 1ie4B-1c30A:
9.24
1ie4D-1c30A:
9.24
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.
1coj PROTEIN (SUPEROXIDE
DISMUTASE)

(Aquifex
pyrophilus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		5 GLU A 205
ALA A 200
LYS A 103
GLU A 106
ALA A  99
 None
 1.33A 1ie4B-1cojA:
undetectable
1ie4D-1cojA:
0.0		 1ie4B-1cojA:
19.63
1ie4D-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.
1cs1 PROTEIN
(CYSTATHIONINE
GAMMA-SYNTHASE)

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		4 GLU A  65
ALA A  70
LEU A 222
ALA A  79
 None
 0.88A 1ie4B-1cs1A:
undetectable
1ie4D-1cs1A:
undetectable		 1ie4B-1cs1A:
15.86
1ie4D-1cs1A:
15.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 GLU A 495
ALA A 533
GLU A 432
ALA A 392
 None
2MO  A 910 ( 3.8A)
None
None
 0.89A 1ie4B-1dgjA:
undetectable
1ie4D-1dgjA:
undetectable		 1ie4B-1dgjA:
9.33
1ie4D-1dgjA:
9.33
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.
1e3j NADP(H)-DEPENDENT
KETOSE REDUCTASE

(Bemisia
argentifolii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 GLU A 146
LEU A 125
ALA A 331
THR A 328
 None
 0.87A 1ie4B-1e3jA:
0.0
1ie4D-1e3jA:
undetectable		 1ie4B-1e3jA:
17.33
1ie4D-1e3jA:
17.33
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.
1eyw PHOSPHOTRIESTERASE

(Brevundimonas
diminuta) 		PF02126
(PTE) 		4 GLU A 219
ALA A 214
ALA A 176
THR A 172
 None
 0.84A 1ie4B-1eywA:
undetectable
1ie4D-1eywA:
undetectable		 1ie4B-1eywA:
20.00
1ie4D-1eywA:
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.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		4 GLU A 149
ALA A 147
LEU A 119
THR A  98
 None
 0.91A 1ie4B-1f6yA:
undetectable
1ie4D-1f6yA:
undetectable		 1ie4B-1f6yA:
20.46
1ie4D-1f6yA:
20.46
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) 		4 LYS A  15
GLU A  54
ALA A 108
THR A 119
 None
 0.50A 1ie4B-1gkeA:
22.5
1ie4D-1gkeA:
22.6		 1ie4B-1gkeA:
100.00
1ie4D-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.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		5 ALA A 192
LEU A 190
LYS A  82
GLU A  85
ALA A  78
 None
 1.28A 1ie4B-1hzoA:
undetectable
1ie4D-1hzoA:
undetectable		 1ie4B-1hzoA:
21.57
1ie4D-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.
1i1q ANTHRANILATE
SYNTHASE COMPONENT I

(Salmonella
enterica) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 ALA A 213
LEU A 215
ALA A 195
THR A 180
 None
 0.84A 1ie4B-1i1qA:
undetectable
1ie4D-1i1qA:
undetectable		 1ie4B-1i1qA:
13.24
1ie4D-1i1qA:
13.24
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.
1i7q ANTHRANILATE
SYNTHASE

(Serratia
marcescens) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 ALA A 416
LEU A 462
ALA A 311
THR A 464
 None
 0.93A 1ie4B-1i7qA:
undetectable
1ie4D-1i7qA:
undetectable		 1ie4B-1i7qA:
14.97
1ie4D-1i7qA:
14.97
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		4 ALA A 673
LEU A 671
LYS A 639
ALA A 636
 None
 0.85A 1ie4B-1j1wA:
undetectable
1ie4D-1j1wA:
undetectable		 1ie4B-1j1wA:
9.99
1ie4D-1j1wA:
9.99
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.
1j6u UDP-N-ACETYLMURAMATE
-ALANINE LIGASE MURC

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 ALA A  15
LEU A 135
GLU A 162
THR A 114
 None
 0.83A 1ie4B-1j6uA:
undetectable
1ie4D-1j6uA:
undetectable		 1ie4B-1j6uA:
16.67
1ie4D-1j6uA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k12 LECTIN

(Anguilla
anguilla) 		PF00754
(F5_F8_type_C) 		4 GLU A 118
LEU A 145
ALA A  90
THR A 135
 None
 0.64A 1ie4B-1k12A:
undetectable
1ie4D-1k12A:
undetectable		 1ie4B-1k12A:
19.88
1ie4D-1k12A:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		4 GLU A 165
ALA A 157
GLU A 310
ALA A  90
 None
None
ZN  A 479 (-2.5A)
None
 0.94A 1ie4B-1k7hA:
undetectable
1ie4D-1k7hA:
undetectable		 1ie4B-1k7hA:
13.82
1ie4D-1k7hA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kl7 THREONINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		4 ALA A 424
LEU A 327
GLU A 409
ALA A 462
 None
 0.94A 1ie4B-1kl7A:
undetectable
1ie4D-1kl7A:
undetectable		 1ie4B-1kl7A:
12.10
1ie4D-1kl7A:
12.10
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.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		4 GLU A 127
ALA A 163
ALA A 119
THR A 114
 None
 0.92A 1ie4B-1nvmA:
undetectable
1ie4D-1nvmA:
undetectable		 1ie4B-1nvmA:
17.57
1ie4D-1nvmA:
17.57
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.
1p8r ARGINASE 1

(Rattus
norvegicus) 		PF00491
(Arginase) 		4 ALA A 296
GLU A 287
ALA A 243
THR A 244
 None
 0.92A 1ie4B-1p8rA:
undetectable
1ie4D-1p8rA:
undetectable		 1ie4B-1p8rA:
21.24
1ie4D-1p8rA:
21.24
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.
1pvg DNA TOPOISOMERASE II

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		4 GLU A  51
LEU A 255
ALA A 293
THR A 278
 None
 0.88A 1ie4B-1pvgA:
undetectable
1ie4D-1pvgA:
undetectable		 1ie4B-1pvgA:
14.22
1ie4D-1pvgA:
14.22
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) 		4 LYS A  15
GLU A  54
ALA A 108
LEU A 110
 None
 0.63A 1ie4B-1sn2A:
20.1
1ie4D-1sn2A:
20.4		 1ie4B-1sn2A:
58.46
1ie4D-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) 		4 LYS A  15
GLU A  54
ALA A 108
THR A 119
 None
 0.63A 1ie4B-1sn2A:
20.1
1ie4D-1sn2A:
20.4		 1ie4B-1sn2A:
58.46
1ie4D-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.
1t1s 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Escherichia
coli) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 LEU A   6
GLU A  76
ALA A  31
THR A   4
 None
 0.90A 1ie4B-1t1sA:
undetectable
1ie4D-1t1sA:
undetectable		 1ie4B-1t1sA:
15.58
1ie4D-1t1sA:
15.58
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) 		4 LYS A  15
GLU A  54
ALA A 108
LEU A 110
 None
 0.52A 1ie4B-1tfpA:
19.4
1ie4D-1tfpA:
19.4		 1ie4B-1tfpA:
76.92
1ie4D-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) 		4 LYS A  15
GLU A  54
ALA A 108
THR A 119
 None
 0.69A 1ie4B-1tfpA:
19.4
1ie4D-1tfpA:
19.4		 1ie4B-1tfpA:
76.92
1ie4D-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.
1v2x TRNA (GM18)
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		4 GLU A  28
ALA A  85
ALA A 118
THR A  24
 None
 0.92A 1ie4B-1v2xA:
undetectable
1ie4D-1v2xA:
undetectable		 1ie4B-1v2xA:
20.50
1ie4D-1v2xA:
20.50
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.
1vl0 DTDP-4-DEHYDRORHAMNO
SE REDUCTASE, RFBD
ORTHOLOG

(Clostridium
acetobutylicum) 		PF04321
(RmlD_sub_bind) 		4 GLU A  95
ALA A  89
LEU A  85
THR A   6
 None
 0.93A 1ie4B-1vl0A:
undetectable
1ie4D-1vl0A:
undetectable		 1ie4B-1vl0A:
21.40
1ie4D-1vl0A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wxx HYPOTHETICAL PROTEIN
TTHA1280

(Thermus
thermophilus) 		PF10672
(Methyltrans_SAM) 		4 ALA A 340
LYS A 355
ALA A 377
THR A 323
 None
 0.72A 1ie4B-1wxxA:
undetectable
1ie4D-1wxxA:
undetectable		 1ie4B-1wxxA:
15.77
1ie4D-1wxxA:
15.77
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.
1ys9 PROTEIN SPY1043

(Streptococcus
pyogenes) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		4 GLU A  94
ALA A 161
ALA A  72
THR A  76
 None
 0.88A 1ie4B-1ys9A:
undetectable
1ie4D-1ys9A:
undetectable		 1ie4B-1ys9A:
19.92
1ie4D-1ys9A:
19.92
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.
1zs8 HISTOCOMPATIBILITY
2, M REGION LOCUS
10.5

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 LEU A 271
LYS A 242
ALA A 204
THR A 186
 None
 0.92A 1ie4B-1zs8A:
undetectable
1ie4D-1zs8A:
undetectable		 1ie4B-1zs8A:
18.68
1ie4D-1zs8A:
18.68
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.
2clb DPS-LIKE PROTEIN

(Sulfolobus
solfataricus) 		PF00210
(Ferritin) 		4 LEU A  26
GLU A 156
ALA A 149
THR A 145
 None
ZN  A1175 ( 2.3A)
None
None
 0.82A 1ie4B-2clbA:
undetectable
1ie4D-2clbA:
undetectable		 1ie4B-2clbA:
18.95
1ie4D-2clbA:
18.95
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.
2cx9 ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A 308
LEU A 306
GLU A 369
ALA A 254
 None
 0.87A 1ie4B-2cx9A:
undetectable
1ie4D-2cx9A:
undetectable		 1ie4B-2cx9A:
16.53
1ie4D-2cx9A:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d1h 109AA LONG
HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR

(Sulfurisphaera
tokodaii) 		PF01978
(TrmB) 		5 LEU A  48
LYS A  29
GLU A  32
ALA A  25
THR A  22
 None
 1.43A 1ie4B-2d1hA:
undetectable
1ie4D-2d1hA:
undetectable		 1ie4B-2d1hA:
23.62
1ie4D-2d1hA:
23.62
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.
2dqb DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE,
PUTATIVE

(Thermus
thermophilus) 		PF01966
(HD)
PF13286
(HD_assoc) 		4 ALA A  23
LEU A 100
ALA A 275
THR A 186
 None
 0.90A 1ie4B-2dqbA:
undetectable
1ie4D-2dqbA:
undetectable		 1ie4B-2dqbA:
15.71
1ie4D-2dqbA:
15.71
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.
2dvl ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A 295
LEU A 293
GLU A 356
ALA A 241
 None
 0.92A 1ie4B-2dvlA:
undetectable
1ie4D-2dvlA:
undetectable		 1ie4B-2dvlA:
16.80
1ie4D-2dvlA:
16.80
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.
2gfq UPF0204 PROTEIN
PH0006

(Pyrococcus
horikoshii) 		PF04414
(tRNA_deacylase) 		5 ALA A 234
LEU A 219
GLU A 266
ALA A 260
THR A 256
 None
 1.34A 1ie4B-2gfqA:
undetectable
1ie4D-2gfqA:
undetectable		 1ie4B-2gfqA:
18.82
1ie4D-2gfqA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		4 GLU A  70
LEU A 481
GLU A 248
THR A  38
 MG  A 901 ( 2.8A)
None
MG  A 903 (-3.2A)
None
 0.71A 1ie4B-2hruA:
undetectable
1ie4D-2hruA:
undetectable		 1ie4B-2hruA:
14.71
1ie4D-2hruA:
14.71
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.
2hyj PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLU A  27
ALA A 113
LEU A  30
ALA A  67
THR A  63
 None
 1.33A 1ie4B-2hyjA:
undetectable
1ie4D-2hyjA:
undetectable		 1ie4B-2hyjA:
19.14
1ie4D-2hyjA:
19.14
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.
2j3z C2 TOXIN COMPONENT I

(Clostridium
botulinum) 		PF03496
(ADPrib_exo_Tox) 		4 ALA A 373
GLU A 218
ALA A 297
THR A 349
 None
 0.82A 1ie4B-2j3zA:
undetectable
1ie4D-2j3zA:
undetectable		 1ie4B-2j3zA:
14.25
1ie4D-2j3zA:
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.
2jif SHORT/BRANCHED CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 GLU A 344
GLU A 126
ALA A 305
THR A 381
 None
 0.94A 1ie4B-2jifA:
undetectable
1ie4D-2jifA:
undetectable		 1ie4B-2jifA:
18.13
1ie4D-2jifA:
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.
2nlz CEPHALOSPORIN
ACYLASE

(Bacillus
halodurans) 		PF01019
(G_glu_transpept) 		4 GLU A 213
GLU A 150
ALA A 145
THR A  56
 None
 0.78A 1ie4B-2nlzA:
undetectable
1ie4D-2nlzA:
undetectable		 1ie4B-2nlzA:
15.04
1ie4D-2nlzA:
15.04
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.
2o6w REPEAT FIVE RESIDUE
(RFR) PROTEIN OR
PENTAPEPTIDE REPEAT
PROTEIN

(Cyanothece) 		PF00805
(Pentapeptide) 		4 ALA A 145
LEU A 162
ALA A 140
THR A 160
 None
 0.89A 1ie4B-2o6wA:
undetectable
1ie4D-2o6wA:
undetectable		 1ie4B-2o6wA:
16.77
1ie4D-2o6wA:
16.77
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.
2pan GLYOXYLATE
CARBOLIGASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ALA A 196
LEU A 200
ALA A 333
THR A 230
 None
 0.91A 1ie4B-2panA:
undetectable
1ie4D-2panA:
undetectable		 1ie4B-2panA:
11.91
1ie4D-2panA:
11.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pim PHENYLACETIC ACID
DEGRADATION-RELATED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF13622
(4HBT_3) 		4 ALA A 104
LEU A 106
ALA A  74
THR A  75
 None
 0.86A 1ie4B-2pimA:
undetectable
1ie4D-2pimA:
undetectable		 1ie4B-2pimA:
21.94
1ie4D-2pimA:
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.
2pjr PROTEIN (HELICASE
PCRA)

(Geobacillus
stearothermophilus) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 GLU A 283
GLU A 301
ALA A 296
THR B 609
 None
 0.91A 1ie4B-2pjrA:
undetectable
1ie4D-2pjrA:
undetectable		 1ie4B-2pjrA:
13.55
1ie4D-2pjrA:
13.55
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.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 ALA A 104
LEU A 102
ALA A 475
THR A 479
 None
 0.90A 1ie4B-2v7gA:
1.6
1ie4D-2v7gA:
1.6		 1ie4B-2v7gA:
12.84
1ie4D-2v7gA:
12.84
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.
2v8j PECTATE LYASE

(Yersinia
enterocolitica) 		PF06917
(Pectate_lyase_2) 		4 ALA A  55
LEU A  57
GLU A 124
THR A 514
 None
 0.89A 1ie4B-2v8jA:
undetectable
1ie4D-2v8jA:
undetectable		 1ie4B-2v8jA:
10.80
1ie4D-2v8jA:
10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vzb PUTATIVE
BACTERIOFERRITIN-REL
ATED PROTEIN

(Bacteroides
fragilis) 		PF00210
(Ferritin) 		4 LEU A  18
GLU A 146
ALA A 139
THR A 135
 None
FE  A6204 ( 2.5A)
None
None
 0.86A 1ie4B-2vzbA:
undetectable
1ie4D-2vzbA:
undetectable		 1ie4B-2vzbA:
25.14
1ie4D-2vzbA:
25.14
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.
2w8d PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE 2

(Bacillus
subtilis) 		PF00884
(Sulfatase) 		4 LEU A 395
LYS A 363
ALA A 340
THR A 404
 None
PG4  A1637 (-2.8A)
None
None
 0.94A 1ie4B-2w8dA:
undetectable
1ie4D-2w8dA:
undetectable		 1ie4B-2w8dA:
13.53
1ie4D-2w8dA:
13.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wy0 ANGIOTENSINOGEN

(Mus musculus) 		PF00079
(Serpin) 		4 ALA C 152
LEU C 150
ALA C  74
THR C  77
 None
 0.83A 1ie4B-2wy0C:
undetectable
1ie4D-2wy0C:
undetectable		 1ie4B-2wy0C:
14.86
1ie4D-2wy0C:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wyr COBALT-ACTIVATED
PEPTIDASE TET1

(Pyrococcus
horikoshii) 		PF05343
(Peptidase_M42) 		4 ALA A 211
GLU A  54
ALA A 223
THR A 295
 None
 0.85A 1ie4B-2wyrA:
undetectable
1ie4D-2wyrA:
undetectable		 1ie4B-2wyrA:
17.61
1ie4D-2wyrA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x3c TOXIC EXTRACELLULAR
ENDOPEPTIDASE

(Aeromonas
salmonicida) 		PF14521
(Aspzincin_M35) 		4 ALA A 260
GLU A 337
ALA A 279
THR A 278
 None
 0.89A 1ie4B-2x3cA:
undetectable
1ie4D-2x3cA:
undetectable		 1ie4B-2x3cA:
19.19
1ie4D-2x3cA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xnh DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Homo sapiens) 		PF00533
(BRCT)
PF12738
(PTCB-BRCT) 		4 ALA A 160
LEU A 146
GLU A 279
THR A 114
 None
 0.93A 1ie4B-2xnhA:
undetectable
1ie4D-2xnhA:
undetectable		 1ie4B-2xnhA:
17.56
1ie4D-2xnhA:
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.
2zuy YESX PROTEIN

(Bacillus
subtilis) 		PF01839
(FG-GAP) 		4 ALA A 196
LEU A 190
ALA A 573
THR A 276
 None
 0.92A 1ie4B-2zuyA:
undetectable
1ie4D-2zuyA:
3.1		 1ie4B-2zuyA:
12.10
1ie4D-2zuyA:
12.10
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.
3aat ASPARTATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 LEU A  87
LYS A  98
ALA A 100
THR A 271
 None
 0.91A 1ie4B-3aatA:
undetectable
1ie4D-3aatA:
undetectable		 1ie4B-3aatA:
17.03
1ie4D-3aatA:
17.03
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.
3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00459
(Inositol_P) 		4 LEU A 194
LYS A 210
GLU A 208
ALA A 211
 SO4  A 272 ( 4.4A)
None
None
None
 0.93A 1ie4B-3b8bA:
undetectable
1ie4D-3b8bA:
undetectable		 1ie4B-3b8bA:
17.89
1ie4D-3b8bA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bvq NOTI RESTRICTION
ENDONUCLEASE

(Nocardia
otitidiscaviarum) 		PF12183
(NotI) 		4 ALA A  47
LEU A  50
ALA A 111
THR A 114
 None
 0.93A 1ie4B-3bvqA:
undetectable
1ie4D-3bvqA:
undetectable		 1ie4B-3bvqA:
17.20
1ie4D-3bvqA:
17.20
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.
3c19 UNCHARACTERIZED
PROTEIN MK0293

(Methanopyrus
kandleri) 		PF01969
(DUF111) 		4 ALA A  43
LEU A  17
ALA A  28
THR A  82
 None
 0.81A 1ie4B-3c19A:
undetectable
1ie4D-3c19A:
undetectable		 1ie4B-3c19A:
22.04
1ie4D-3c19A:
22.04
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.
3c28 RECOMBINASE CRE

(Escherichia
virus P1) 		PF00589
(Phage_integrase) 		4 GLU A 138
ALA A 291
LEU A 164
THR A 268
 None
 0.90A 1ie4B-3c28A:
undetectable
1ie4D-3c28A:
undetectable		 1ie4B-3c28A:
15.96
1ie4D-3c28A:
15.96
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.
3d8b FIDGETIN-LIKE
PROTEIN 1

(Homo sapiens) 		PF00004
(AAA)
PF09336
(Vps4_C) 		4 LEU A 376
LYS A 480
GLU A 477
ALA A 484
 None
 0.83A 1ie4B-3d8bA:
undetectable
1ie4D-3d8bA:
undetectable		 1ie4B-3d8bA:
15.04
1ie4D-3d8bA:
15.04
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.
3e2n CYTOCHROME C
PEROXIDASE

(Pisum sativum;
Saccharomyces
cerevisiae) 		PF00141
(peroxidase) 		5 GLU A  91
LEU A 103
LYS A  29
GLU A  32
THR A 107
 None
 1.23A 1ie4B-3e2nA:
undetectable
1ie4D-3e2nA:
undetectable		 1ie4B-3e2nA:
18.11
1ie4D-3e2nA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e4w PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF00199
(Catalase) 		4 ALA A 212
LEU A 214
GLU A 191
ALA A 158
 None
 0.76A 1ie4B-3e4wA:
undetectable
1ie4D-3e4wA:
undetectable		 1ie4B-3e4wA:
19.46
1ie4D-3e4wA:
19.46
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.
3ek2 ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
(NADH)

(Burkholderia
pseudomallei) 		PF13561
(adh_short_C2) 		4 ALA A 149
LEU A 166
ALA A 186
THR A 143
 None
 0.94A 1ie4B-3ek2A:
undetectable
1ie4D-3ek2A:
undetectable		 1ie4B-3ek2A:
19.71
1ie4D-3ek2A:
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.
3es5 PUTATIVE CAPSID
PROTEIN

(Penicillium
stoloniferum
virus F) 		no annotation 4 GLU A 132
LEU A 139
ALA A 121
THR A 183
 None
 0.80A 1ie4B-3es5A:
undetectable
1ie4D-3es5A:
undetectable		 1ie4B-3es5A:
15.48
1ie4D-3es5A:
15.48
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.
3ezx MONOMETHYLAMINE
CORRINOID PROTEIN 1

(Methanosarcina
barkeri) 		PF02310
(B12-binding)
PF02607
(B12-binding_2) 		4 ALA A 209
GLU A  92
ALA A  96
THR A  98
 None
 0.92A 1ie4B-3ezxA:
undetectable
1ie4D-3ezxA:
undetectable		 1ie4B-3ezxA:
21.00
1ie4D-3ezxA:
21.00
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) 		4 LYS A  15
GLU A  54
ALA A 108
LEU A 110
 IFA  A3000 (-3.0A)
None
IFA  A3000 (-3.1A)
IFA  A3000 (-4.1A)
 0.67A 1ie4B-3fc8A:
22.3
1ie4D-3fc8A:
22.3		 1ie4B-3fc8A:
83.87
1ie4D-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) 		4 LYS A  15
GLU A  54
ALA A 108
THR A 119
 IFA  A3000 (-3.0A)
None
IFA  A3000 (-3.1A)
IFA  A3000 ( 4.9A)
 0.76A 1ie4B-3fc8A:
22.3
1ie4D-3fc8A:
22.3		 1ie4B-3fc8A:
83.87
1ie4D-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.
3fww BIFUNCTIONAL PROTEIN
GLMU

(Yersinia pestis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		4 ALA A 336
LEU A 315
ALA A 330
THR A 313
 None
 0.87A 1ie4B-3fwwA:
undetectable
1ie4D-3fwwA:
undetectable		 1ie4B-3fwwA:
16.21
1ie4D-3fwwA:
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.
3g5i PYRIMIDINE-SPECIFIC
RIBONUCLEOSIDE
HYDROLASE RIHA

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		4 GLU A 114
ALA A 109
ALA A  64
THR A  34
 None
 0.83A 1ie4B-3g5iA:
undetectable
1ie4D-3g5iA:
undetectable		 1ie4B-3g5iA:
19.00
1ie4D-3g5iA:
19.00
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.
3g79 NDP-N-ACETYL-D-GALAC
TOSAMINURONIC ACID
DEHYDROGENASE

(Methanosarcina
mazei) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 LYS A 159
GLU A 163
ALA A 158
ALA A 228
THR A 229
 None
 1.22A 1ie4B-3g79A:
undetectable
1ie4D-3g79A:
undetectable		 1ie4B-3g79A:
16.44
1ie4D-3g79A:
16.44
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.
3ga7 ACETYL ESTERASE

(Salmonella
enterica) 		PF07859
(Abhydrolase_3) 		4 ALA A 166
LEU A  90
ALA A 134
THR A 138
 SEP  A 165 ( 3.2A)
None
None
None
 0.90A 1ie4B-3ga7A:
undetectable
1ie4D-3ga7A:
undetectable		 1ie4B-3ga7A:
16.61
1ie4D-3ga7A:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gg6 NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 18

(Homo sapiens) 		PF00293
(NUDIX) 		4 GLU A  91
LEU A  98
GLU A  62
ALA A 142
 None
 0.92A 1ie4B-3gg6A:
undetectable
1ie4D-3gg6A:
undetectable		 1ie4B-3gg6A:
25.00
1ie4D-3gg6A:
25.00
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.
3hhd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 LYS A 436
GLU A 439
ALA A 433
THR A 430
 None
 0.94A 1ie4B-3hhdA:
undetectable
1ie4D-3hhdA:
undetectable		 1ie4B-3hhdA:
8.72
1ie4D-3hhdA:
8.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iie 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Yersinia
pseudotuberculosis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 LEU A   7
GLU A  77
ALA A  32
THR A   5
 None
 0.92A 1ie4B-3iieA:
undetectable
1ie4D-3iieA:
undetectable		 1ie4B-3iieA:
16.37
1ie4D-3iieA:
16.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mml ALLOPHANATE
HYDROLASE SUBUNIT 1
ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacterium
smegmatis) 		PF02626
(CT_A_B)
PF02682
(CT_C_D) 		4 LYS B  52
ALA B  13
LEU B  15
ALA A 236
 None
 0.92A 1ie4B-3mmlB:
undetectable
1ie4D-3mmlB:
undetectable		 1ie4B-3mmlB:
17.75
1ie4D-3mmlB:
17.75
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.
3n28 PHOSPHOSERINE
PHOSPHATASE

(Vibrio cholerae) 		PF00702
(Hydrolase) 		4 ALA A 280
LEU A 282
ALA A 296
THR A 298
 None
 0.92A 1ie4B-3n28A:
undetectable
1ie4D-3n28A:
undetectable		 1ie4B-3n28A:
18.03
1ie4D-3n28A:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n9t PNPC

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 LEU A 219
LYS A 279
ALA A 130
THR A 188
 None
 0.94A 1ie4B-3n9tA:
2.4
1ie4D-3n9tA:
2.4		 1ie4B-3n9tA:
24.21
1ie4D-3n9tA:
24.21
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.
3nf4 ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A 306
GLU A  81
ALA A 327
THR A 326
 None
 0.88A 1ie4B-3nf4A:
undetectable
1ie4D-3nf4A:
undetectable		 1ie4B-3nf4A:
17.14
1ie4D-3nf4A:
17.14
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.
3ozb METHYLTHIOADENOSINE
PHOSPHORYLASE

(Pseudomonas
aeruginosa) 		PF01048
(PNP_UDP_1) 		4 ALA A  86
LEU A  84
GLU A  60
ALA A  19
 None
None
SO4  A 262 (-3.1A)
None
 0.93A 1ie4B-3ozbA:
undetectable
1ie4D-3ozbA:
undetectable		 1ie4B-3ozbA:
22.17
1ie4D-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.
3pgy SERINE
HYDROXYMETHYLTRANSFE
RASE

(Staphylococcus
aureus) 		PF00464
(SHMT) 		5 GLU A  41
LEU A  47
GLU A 272
ALA A 267
THR A  70
 None
 1.23A 1ie4B-3pgyA:
undetectable
1ie4D-3pgyA:
undetectable		 1ie4B-3pgyA:
14.22
1ie4D-3pgyA:
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.
3qyy RESPONSE REGULATOR

(Xanthomonas
campestris) 		PF00990
(GGDEF) 		4 ALA A 275
LEU A 287
GLU A 260
THR A 230
 None
 0.82A 1ie4B-3qyyA:
undetectable
1ie4D-3qyyA:
undetectable		 1ie4B-3qyyA:
19.64
1ie4D-3qyyA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qz3 FERRITIN

(Vibrio cholerae) 		PF00210
(Ferritin) 		4 ALA A  11
LEU A   8
ALA A 114
THR A 122
 None
 0.79A 1ie4B-3qz3A:
undetectable
1ie4D-3qz3A:
undetectable		 1ie4B-3qz3A:
18.18
1ie4D-3qz3A:
18.18
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.
3rwg MAJOR
HISTOCOMPATIBILITY
COMPLEX CLASS I

(Macaca mulatta) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 LEU A 272
LYS A 243
ALA A 205
THR A 187
 None
 0.94A 1ie4B-3rwgA:
undetectable
1ie4D-3rwgA:
undetectable		 1ie4B-3rwgA:
17.04
1ie4D-3rwgA:
17.04
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.
3ufa SERINE PROTEASE SPLA

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		4 GLU A   6
ALA A  10
ALA A  20
THR A  25
 None
 0.86A 1ie4B-3ufaA:
undetectable
1ie4D-3ufaA:
undetectable		 1ie4B-3ufaA:
23.23
1ie4D-3ufaA:
23.23
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.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		4 LYS A 323
GLU A 283
ALA A 168
THR A  94
 None
 0.70A 1ie4B-3ut3A:
undetectable
1ie4D-3ut3A:
undetectable		 1ie4B-3ut3A:
18.01
1ie4D-3ut3A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uv1 DER F 7 ALLERGEN

(Dermatophagoides
farinae) 		PF16984
(Grp7_allergen) 		4 LYS A 190
GLU A 194
ALA A 186
THR A 182
 None
 0.93A 1ie4B-3uv1A:
undetectable
1ie4D-3uv1A:
undetectable		 1ie4B-3uv1A:
20.40
1ie4D-3uv1A:
20.40
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.
3vf1 11R-LIPOXYGENASE

(Gersemia
fruticosa) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ALA A 193
LEU A 197
ALA A 220
THR A 218
 None
 0.88A 1ie4B-3vf1A:
undetectable
1ie4D-3vf1A:
undetectable		 1ie4B-3vf1A:
12.01
1ie4D-3vf1A:
12.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wzs UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		4 LEU A 788
LYS A 754
GLU A 757
ALA A 750
 None
 0.93A 1ie4B-3wzsA:
undetectable
1ie4D-3wzsA:
undetectable		 1ie4B-3wzsA:
19.05
1ie4D-3wzsA:
19.05
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.
3x17 ENDOGLUCANASE

(uncultured
bacterium) 		no annotation 4 ALA B 331
LEU B 329
ALA B 260
THR B 293
 None
 0.83A 1ie4B-3x17B:
4.1
1ie4D-3x17B:
4.3		 1ie4B-3x17B:
14.93
1ie4D-3x17B:
14.93
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.
4ade SUCCINYLORNITHINE
TRANSAMINASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		4 ALA A  96
LEU A 248
ALA A 262
THR A 250
 None
 0.80A 1ie4B-4adeA:
undetectable
1ie4D-4adeA:
undetectable		 1ie4B-4adeA:
17.37
1ie4D-4adeA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 GLU B3060
LEU B3179
GLU B3047
THR B3000
 None
 0.85A 1ie4B-4bedB:
undetectable
1ie4D-4bedB:
undetectable		 1ie4B-4bedB:
6.55
1ie4D-4bedB:
6.55
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.
4cak INTEGRIN ALPHA-IIB

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		4 GLU A  49
ALA A  89
LEU A  72
ALA A 108
 None
 0.91A 1ie4B-4cakA:
0.8
1ie4D-4cakA:
0.7		 1ie4B-4cakA:
10.80
1ie4D-4cakA:
10.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ce7 UNSATURATED
3S-RHAMNOGLYCURONYL
HYDROLASE

(Nonlabens
ulvanivorans) 		PF07470
(Glyco_hydro_88) 		4 GLU A  33
ALA A  28
ALA A  57
THR A  61
 None
 0.94A 1ie4B-4ce7A:
undetectable
1ie4D-4ce7A:
undetectable		 1ie4B-4ce7A:
16.99
1ie4D-4ce7A:
16.99
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.
4cgr PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		4 ALA A  42
LEU A  44
GLU A  32
ALA A  62
 None
 0.85A 1ie4B-4cgrA:
undetectable
1ie4D-4cgrA:
undetectable		 1ie4B-4cgrA:
23.40
1ie4D-4cgrA:
23.40
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.
4cvh ISOPRENOID SYNTHASE
DOMAIN-CONTAINING
PROTEIN

(Homo sapiens) 		PF01128
(IspD) 		4 GLU A 139
ALA A 136
LEU A 134
ALA A  48
 None
 0.91A 1ie4B-4cvhA:
undetectable
1ie4D-4cvhA:
undetectable		 1ie4B-4cvhA:
14.71
1ie4D-4cvhA:
14.71
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.
4d05 ATP-DEPENDENT DNA
LIGASE

(Psychromonas
sp. SP041) 		PF01068
(DNA_ligase_A_M)
PF14743
(DNA_ligase_OB_2) 		4 GLU A 207
ALA A 182
GLU A 178
ALA A 248
 None
 0.91A 1ie4B-4d05A:
undetectable
1ie4D-4d05A:
undetectable		 1ie4B-4d05A:
18.99
1ie4D-4d05A:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		5 GLU A 469
ALA A 336
GLU A 376
ALA A 356
THR A 319
 None
 1.47A 1ie4B-4e2oA:
undetectable
1ie4D-4e2oA:
undetectable		 1ie4B-4e2oA:
16.05
1ie4D-4e2oA:
16.05
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.
4f3l BMAL1B
CIRCADIAN LOCOMOTER
OUTPUT CYCLES
PROTEIN KAPUT

(Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		4 ALA A 117
LEU A 115
ALA B 154
THR A 254
 None
 0.93A 1ie4B-4f3lA:
undetectable
1ie4D-4f3lA:
undetectable		 1ie4B-4f3lA:
17.32
1ie4D-4f3lA:
17.32
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		4 GLU A  51
LEU A 255
ALA A 293
THR A 278
 None
 0.80A 1ie4B-4gfhA:
undetectable
1ie4D-4gfhA:
undetectable		 1ie4B-4gfhA:
7.57
1ie4D-4gfhA:
7.57
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.
4jm2 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 ALA E 266
LEU E 288
LYS E 348
GLU E 351
THR E 341
 None
 1.48A 1ie4B-4jm2E:
undetectable
1ie4D-4jm2E:
undetectable		 1ie4B-4jm2E:
16.46
1ie4D-4jm2E:
16.46