SIMILAR PATTERNS OF AMINO ACIDS FOR 1IEP_A_STIA201_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


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

(Aspergillus
nidulans)
PF00463
(ICL)
4 LYS A  47
VAL A 187
ILE A  48
ARG A  26
None
1.13A 1iepA-1dquA:
undetectable
1iepA-1dquA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jr1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2


(Cricetulus
griseus)
PF00478
(IMPDH)
PF00571
(CBS)
4 VAL A 323
VAL A  66
ILE A 300
MET A  82
None
1.14A 1iepA-1jr1A:
undetectable
1iepA-1jr1A:
19.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k9a CARBOXYL-TERMINAL
SRC KINASE


(Rattus
norvegicus)
PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr)
5 LYS A 222
VAL A 239
VAL A 249
ILE A 264
ARG A 313
None
1.01A 1iepA-1k9aA:
30.9
1iepA-1k9aA:
30.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k9a CARBOXYL-TERMINAL
SRC KINASE


(Rattus
norvegicus)
PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr)
5 VAL A 239
VAL A 249
ILE A 264
MET A 269
ARG A 313
None
0.91A 1iepA-1k9aA:
30.9
1iepA-1k9aA:
30.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1luf MUSCLE-SPECIFIC
TYROSINE KINASE
RECEPTOR MUSK


(Rattus
norvegicus)
PF07714
(Pkinase_Tyr)
4 LYS A 608
VAL A 638
MET A 657
ARG A 723
None
0.95A 1iepA-1lufA:
35.4
1iepA-1lufA:
37.22
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.
1lw3 MYOTUBULARIN-RELATED
PROTEIN 2


(Homo sapiens)
PF02893
(GRAM)
PF06602
(Myotub-related)
4 VAL A 479
VAL A 358
ILE A 353
ARG A 459
None
1.10A 1iepA-1lw3A:
undetectable
1iepA-1lw3A:
17.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1


(Mus musculus)
PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr)
4 LYS A 290
VAL A 308
VAL A 318
ILE A 332
P16  A   2 (-4.5A)
None
P16  A   2 ( 4.7A)
P16  A   2 (-4.1A)
0.60A 1iepA-1opkA:
34.6
1iepA-1opkA:
58.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1


(Mus musculus)
PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr)
4 VAL A 308
VAL A 318
ILE A 332
MET A 337
None
P16  A   2 ( 4.7A)
P16  A   2 (-4.1A)
None
0.50A 1iepA-1opkA:
34.6
1iepA-1opkA:
58.99
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.
1r0v TRNA-INTRON
ENDONUCLEASE


(Archaeoglobus
fulgidus)
PF01974
(tRNA_int_endo)
PF02778
(tRNA_int_endo_N)
4 VAL A 121
VAL A 133
ILE A 102
ARG A 280
None
1.13A 1iepA-1r0vA:
undetectable
1iepA-1r0vA:
22.38
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.
1stu MATERNAL EFFECT
PROTEIN STAUFEN


(Drosophila
melanogaster)
PF00035
(dsrm)
4 VAL A  63
VAL A  38
ILE A   8
ARG A  56
None
1.12A 1iepA-1stuA:
undetectable
1iepA-1stuA:
14.63
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.
1sxj ACTIVATOR 1 95 KDA
SUBUNIT


(Saccharomyces
cerevisiae)
PF00004
(AAA)
PF08519
(RFC1)
4 VAL A 382
VAL A 426
MET A 350
ARG A 434
None
1.10A 1iepA-1sxjA:
undetectable
1iepA-1sxjA:
16.96
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.
1v4a GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE


(Escherichia
coli)
PF03710
(GlnE)
PF08335
(GlnD_UR_UTase)
4 VAL A 236
VAL A 222
ILE A 157
ARG A 201
None
1.13A 1iepA-1v4aA:
undetectable
1iepA-1v4aA:
20.45
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.
1vaj HYPOTHETICAL PROTEIN
PH0010


(Pyrococcus
horikoshii)
PF01871
(AMMECR1)
4 LYS A 203
VAL A  14
ILE A 190
ARG A  53
None
1.10A 1iepA-1vajA:
undetectable
1iepA-1vajA:
22.30
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.
1viw ALPHA-AMYLASE-INHIBI
TOR


(Phaseolus
vulgaris)
PF00139
(Lectin_legB)
4 VAL B 161
VAL B 165
ILE B 137
ARG B 108
None
1.14A 1iepA-1viwB:
undetectable
1iepA-1viwB:
22.44
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.
1w25 STALKED-CELL
DIFFERENTIATION
CONTROLLING PROTEIN


(Caulobacter
vibrioides)
PF00072
(Response_reg)
PF00990
(GGDEF)
4 VAL A 449
VAL A 395
ILE A 326
ARG A 386
None
0.93A 1iepA-1w25A:
undetectable
1iepA-1w25A:
20.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 VAL X  67
ILE X  80
MET X  85
ARG X 129
None
None
None
PTR  X 160 ( 3.4A)
1.06A 1iepA-2dq7X:
32.2
1iepA-2dq7X:
44.22
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.
2euh NADP DEPENDENT NON
PHOSPHORYLATING
GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE


(Streptococcus
mutans)
PF00171
(Aldedh)
4 VAL A  90
VAL A 101
ILE A  85
MET A  76
None
1.14A 1iepA-2euhA:
undetectable
1iepA-2euhA:
23.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hck HEMATOPOETIC CELL
KINASE HCK


(Homo sapiens)
PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr)
4 LYS A 295
VAL A 323
ILE A 336
MET A 341
None
0.89A 1iepA-2hckA:
29.9
1iepA-2hckA:
30.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hk5 TYROSINE-PROTEIN
KINASE HCK


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 LYS A 273
VAL A 291
VAL A 301
ILE A 314
1BM  A 499 (-3.8A)
None
None
1BM  A 499 (-3.9A)
0.68A 1iepA-2hk5A:
27.4
1iepA-2hk5A:
46.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hk5 TYROSINE-PROTEIN
KINASE HCK


(Homo sapiens)
PF07714
(Pkinase_Tyr)
5 VAL A 291
VAL A 301
ILE A 314
MET A 319
ARG A 363
None
None
1BM  A 499 (-3.9A)
None
None
1.01A 1iepA-2hk5A:
27.4
1iepA-2hk5A:
46.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1


(Homo sapiens)
PF07714
(Pkinase_Tyr)
5 VAL A 289
VAL A 299
ILE A 313
MET A 318
ARG A 362
None
GIN  A 600 (-4.6A)
GIN  A 600 (-3.8A)
None
None
1.03A 1iepA-2hz0A:
35.0
1iepA-2hz0A:
97.45
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.
2iyo 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING


(Lactococcus
lactis)
PF00393
(6PGD)
PF03446
(NAD_binding_2)
4 VAL A 152
VAL A   8
ILE A 159
MET A  11
None
1.13A 1iepA-2iyoA:
undetectable
1iepA-2iyoA:
21.17
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.
2j0j FOCAL ADHESION
KINASE 1


(Gallus gallus)
PF00373
(FERM_M)
PF07714
(Pkinase_Tyr)
4 LYS A 454
VAL A 484
ILE A 497
ARG A 545
4ST  A1687 (-3.4A)
None
None
None
0.60A 1iepA-2j0jA:
32.4
1iepA-2j0jA:
20.72
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.
2j1q ARGININE KINASE

(Trypanosoma
cruzi)
PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN)
4 VAL A 252
VAL A 152
ILE A 230
ARG A 164
None
0.89A 1iepA-2j1qA:
undetectable
1iepA-2j1qA:
23.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 VAL A 301
ILE A 314
MET A 319
ARG A 363
None
1N8  A 501 ( 4.6A)
1N8  A 501 ( 4.4A)
None
0.47A 1iepA-2og8A:
27.0
1iepA-2og8A:
45.30
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.
2omj RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 12


(Homo sapiens)
PF00595
(PDZ)
4 VAL A  32
VAL A  60
ILE A  72
ARG A   9
None
1.06A 1iepA-2omjA:
undetectable
1iepA-2omjA:
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.
2p9r ALPHA-2-MACROGLOBULI
N


(Homo sapiens)
PF01835
(A2M_N)
4 VAL A 182
VAL A 198
ILE A 152
ARG A 124
None
1.13A 1iepA-2p9rA:
undetectable
1iepA-2p9rA:
17.67
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.
2qlv CARBON CATABOLITE
DEREPRESSING PROTEIN
KINASE
PROTEIN SIP2


(Saccharomyces
cerevisiae)
PF04739
(AMPKBI)
PF16561
(AMPK1_CBM)
PF16579
(AdenylateSensor)
4 VAL B 382
VAL A 582
ILE A 623
MET A 519
None
1.08A 1iepA-2qlvB:
undetectable
1iepA-2qlvB:
22.12
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.
2rpb HYPOTHETICAL
MEMBRANE PROTEIN


(Pyrococcus
horikoshii)
PF01145
(Band_7)
4 VAL A 164
VAL A 159
ILE A  73
ARG A 145
None
1.14A 1iepA-2rpbA:
undetectable
1iepA-2rpbA:
18.46
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.
2w38 SIALIDASE

(Pseudomonas
aeruginosa)
PF13088
(BNR_2)
4 VAL A 196
VAL A 188
ILE A 211
ARG A 268
None
None
None
GOL  A1441 ( 4.1A)
1.14A 1iepA-2w38A:
undetectable
1iepA-2w38A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wp4 MOLYBDOPTERIN-CONVER
TING FACTOR SUBUNIT
2 1


(Mycobacterium
tuberculosis)
PF02391
(MoaE)
4 LYS A 125
VAL A  87
ILE A 121
MET A  70
None
1.11A 1iepA-2wp4A:
undetectable
1iepA-2wp4A:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wtk STE20-RELATED KINASE
ADAPTER PROTEIN
ALPHA


(Homo sapiens)
PF00069
(Pkinase)
4 VAL B 121
VAL B 131
MET B 150
ARG B 194
None
1.09A 1iepA-2wtkB:
22.4
1iepA-2wtkB:
23.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfk ASPARTATE/ORNITHINE
CARBAMOYLTRANSFERASE


(Enterococcus
faecalis)
PF00185
(OTCace)
PF02729
(OTCace_N)
4 VAL A 377
VAL A  38
ILE A 372
MET A 170
None
1.14A 1iepA-2yfkA:
undetectable
1iepA-2yfkA:
22.63
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.
2ys6 PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE


(Geobacillus
kaustophilus)
PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N)
4 VAL A  30
VAL A  25
ILE A  63
ARG A  11
None
1.06A 1iepA-2ys6A:
undetectable
1iepA-2ys6A:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zf5 GLYCEROL KINASE

(Thermococcus
kodakarensis)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
4 VAL O 385
ILE O 299
MET O 485
ARG O 470
None
1.02A 1iepA-2zf5O:
undetectable
1iepA-2zf5O:
22.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zv7 TYROSINE-PROTEIN
KINASE LYN


(Mus musculus)
PF07714
(Pkinase_Tyr)
4 VAL A 303
ILE A 317
MET A 322
ARG A 366
None
1.05A 1iepA-2zv7A:
26.2
1iepA-2zv7A:
46.08
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.
2zyg 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING


(Klebsiella
pneumoniae)
PF00393
(6PGD)
PF03446
(NAD_binding_2)
4 VAL A 152
VAL A   8
ILE A 159
MET A  11
None
1.13A 1iepA-2zygA:
undetectable
1iepA-2zygA:
20.17
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like)
4 LYS A 206
VAL A 149
ILE A 211
ARG A 167
None
1.02A 1iepA-3abzA:
undetectable
1iepA-3abzA:
16.75
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.
3c2g SYS-1 PROTEIN

(Caenorhabditis
elegans)
no annotation 4 VAL A 710
VAL A 661
ILE A 674
ARG A 645
None
1.05A 1iepA-3c2gA:
undetectable
1iepA-3c2gA:
17.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d7u TYROSINE-PROTEIN
KINASE CSK


(Homo sapiens)
PF07714
(Pkinase_Tyr)
5 LYS A 222
VAL A 239
VAL A 249
ILE A 264
ARG A 313
None
1.01A 1iepA-3d7uA:
27.0
1iepA-3d7uA:
44.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d7u TYROSINE-PROTEIN
KINASE CSK


(Homo sapiens)
PF07714
(Pkinase_Tyr)
5 VAL A 239
VAL A 249
ILE A 264
MET A 269
ARG A 313
None
0.91A 1iepA-3d7uA:
27.0
1iepA-3d7uA:
44.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dko EPHRIN TYPE-A
RECEPTOR 7


(Homo sapiens)
PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM)
4 LYS A 665
VAL A 695
ILE A 709
MET A 714
IHZ  A1001 ( 4.5A)
IHZ  A1001 ( 4.9A)
None
None
0.62A 1iepA-3dkoA:
31.0
1iepA-3dkoA:
35.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dko EPHRIN TYPE-A
RECEPTOR 7


(Homo sapiens)
PF07714
(Pkinase_Tyr)
PF14575
(EphA2_TM)
4 VAL A 695
ILE A 709
MET A 714
ARG A 757
IHZ  A1001 ( 4.9A)
None
None
None
0.73A 1iepA-3dkoA:
31.0
1iepA-3dkoA:
35.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwl ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 4
ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 5


(Schizosaccharomyces
pombe)
PF04699
(P16-Arc)
PF05856
(ARPC4)
4 VAL F  53
VAL G 145
ILE G 111
ARG F  13
None
1.03A 1iepA-3dwlF:
undetectable
1iepA-3dwlF:
20.14
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.
3ec3 PROTEIN
DISULFIDE-ISOMERASE
A4


(Rattus
norvegicus)
PF13848
(Thioredoxin_6)
4 VAL A 413
VAL A 472
ILE A 450
ARG A 497
None
1.08A 1iepA-3ec3A:
undetectable
1iepA-3ec3A:
21.93
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.
3ffs INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE


(Cryptosporidium
parvum)
PF00478
(IMPDH)
4 LYS A 180
VAL A 161
VAL A 153
ILE A 179
None
1.02A 1iepA-3ffsA:
undetectable
1iepA-3ffsA:
24.10
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.
3fme DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6


(Homo sapiens)
PF00069
(Pkinase)
4 LYS A  82
VAL A 113
ILE A 127
MET A 132
STU  A   1 ( 4.2A)
None
None
None
0.67A 1iepA-3fmeA:
17.7
1iepA-3fmeA:
26.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gei TRNA MODIFICATION
GTPASE MNME


(Chlorobaculum
tepidum)
PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical)
4 VAL A  30
VAL A  22
ILE A 471
ARG A 107
None
1.04A 1iepA-3geiA:
2.6
1iepA-3geiA:
22.73
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.
3k5z FEM-3 MRNA-BINDING
FACTOR 2


(Caenorhabditis
elegans)
PF00806
(PUF)
4 VAL A 344
VAL A 306
ILE A 328
ARG A 390
None
1.03A 1iepA-3k5zA:
undetectable
1iepA-3k5zA:
22.57
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.
3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE


(Cryptosporidium
parvum)
PF00478
(IMPDH)
4 LYS A 180
VAL A 161
VAL A 153
ILE A 179
None
1.02A 1iepA-3khjA:
undetectable
1iepA-3khjA:
24.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mx0 EPHRIN TYPE-A
RECEPTOR 2


(Homo sapiens)
PF00041
(fn3)
PF01404
(Ephrin_lbd)
4 VAL A 194
VAL A 189
ILE A 145
ARG A  82
None
1.10A 1iepA-3mx0A:
undetectable
1iepA-3mx0A:
21.08
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.
3my9 MUCONATE
CYCLOISOMERASE


(Azorhizobium
caulinodans)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 VAL A   6
VAL A  86
ILE A 114
MET A 279
None
1.08A 1iepA-3my9A:
undetectable
1iepA-3my9A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n0c THYMIDYLATE SYNTHASE
THYX


(Thermotoga
maritima)
PF02511
(Thy1)
4 VAL A  14
VAL A 162
ILE A 193
ARG A 157
None
1.12A 1iepA-3n0cA:
undetectable
1iepA-3n0cA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nnr TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY


(Marinobacter
hydrocarbonoclasticus)
PF00440
(TetR_N)
PF13972
(TetR)
4 VAL A 157
VAL A  87
ILE A 126
ARG A 209
None
UNL  A 230 ( 4.7A)
UNL  A 230 ( 4.9A)
None
1.04A 1iepA-3nnrA:
undetectable
1iepA-3nnrA:
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.
3pen TRANSLATION
INITIATION FACTOR 2
SUBUNIT GAMMA


(Sulfolobus
solfataricus)
PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C)
4 VAL A 118
VAL A 178
ILE A 115
ARG A 130
None
1.05A 1iepA-3penA:
undetectable
1iepA-3penA:
21.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ppz SERINE/THREONINE-PRO
TEIN KINASE CTR1


(Arabidopsis
thaliana)
PF07714
(Pkinase_Tyr)
4 LYS A 578
VAL A 609
ILE A 623
ARG A 675
STU  A   1 (-3.5A)
None
None
SEP  A 710 ( 3.6A)
1.13A 1iepA-3ppzA:
28.9
1iepA-3ppzA:
35.23
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.
3qtp ENOLASE 1

(Entamoeba
histolytica)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
5 VAL A 344
VAL A 348
ILE A 361
MET A 114
ARG A 331
None
1.42A 1iepA-3qtpA:
undetectable
1iepA-3qtpA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3


(Homo sapiens)
PF00069
(Pkinase)
4 LYS A  73
VAL A  98
ILE A 116
ARG A 165
I85  A 350 (-2.8A)
None
None
None
1.15A 1iepA-3sheA:
18.4
1iepA-3sheA:
24.48
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.
3uve CARVEOL
DEHYDROGENASE
((+)-TRANS-CARVEOL
DEHYDROGENASE)


(Mycobacterium
avium)
PF13561
(adh_short_C2)
4 VAL A  12
VAL A   5
ILE A 157
ARG A  21
None
1.11A 1iepA-3uveA:
undetectable
1iepA-3uveA:
21.32
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.
3vn9 DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6


(Homo sapiens)
PF00069
(Pkinase)
4 LYS A  82
VAL A 113
ILE A 127
MET A 132
ANK  A 401 (-2.4A)
None
None
None
1.02A 1iepA-3vn9A:
21.5
1iepA-3vn9A:
26.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wv4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE


(Streptomyces
halstedii)
PF00501
(AMP-binding)
4 LYS A 235
VAL A 212
ILE A 238
ARG A 322
None
1.15A 1iepA-3wv4A:
undetectable
1iepA-3wv4A:
20.37
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.
3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE


(Streptomyces
halstedii)
PF00501
(AMP-binding)
4 LYS A 235
VAL A 212
ILE A 238
ARG A 322
None
1.11A 1iepA-3wvnA:
undetectable
1iepA-3wvnA:
19.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4at3 BDNF/NT-3 GROWTH
FACTORS RECEPTOR


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 LYS A 588
VAL A 617
MET A 636
ARG A 691
None
0.96A 1iepA-4at3A:
33.4
1iepA-4at3A:
37.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dx8 KREV INTERACTION
TRAPPED PROTEIN 1


(Homo sapiens)
PF16705
(NUDIX_5)
4 VAL H  92
VAL H  14
ILE H  68
ARG H 179
None
1.03A 1iepA-4dx8H:
undetectable
1iepA-4dx8H:
21.15
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.
4eut SERINE/THREONINE-PRO
TEIN KINASE TBK1


(Homo sapiens)
PF00069
(Pkinase)
4 LYS A  38
VAL A  58
VAL A  68
ARG A 134
BX7  A 401 ( 4.0A)
None
None
None
1.12A 1iepA-4eutA:
11.2
1iepA-4eutA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4f0i HIGH AFFINITY NERVE
GROWTH FACTOR
RECEPTOR


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 LYS A 543
VAL A 572
MET A 591
ARG A 648
None
0.89A 1iepA-4f0iA:
27.6
1iepA-4f0iA:
36.71
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.
4gq2 NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe)
PF11715
(Nup160)
4 VAL M  26
VAL M 102
ILE M 128
ARG M  81
None
1.12A 1iepA-4gq2M:
undetectable
1iepA-4gq2M:
15.87
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.
4jdu AEROTOLERANCE-RELATE
D MEMBRANE PROTEIN


(Bacteroides
fragilis)
PF00092
(VWA)
4 VAL A 225
VAL A 194
ILE A 271
ARG A 117
None
0.89A 1iepA-4jduA:
undetectable
1iepA-4jduA:
22.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lgg PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC


(Gallus gallus)
PF07714
(Pkinase_Tyr)
5 VAL A 313
VAL A 323
ILE A 336
MET A 341
ARG A 385
None
VGG  A 601 ( 4.8A)
VGG  A 601 (-4.2A)
None
None
0.99A 1iepA-4lggA:
29.4
1iepA-4lggA:
45.73
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.
4lwo ARGININE
N-METHYLTRANSFERASE,
PUTATIVE


(Trypanosoma
brucei)
no annotation 4 VAL B  57
VAL B  61
ILE B 177
MET B 153
None
0.82A 1iepA-4lwoB:
undetectable
1iepA-4lwoB:
23.45
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.
4m0x CHLOROMUCONATE
CYCLOISOMERASE


(Rhodococcus
opacus)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 VAL A 305
VAL A 123
ILE A 272
ARG A  37
None
1.05A 1iepA-4m0xA:
undetectable
1iepA-4m0xA:
22.19
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.
4mz1 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Campylobacter
jejuni)
PF00478
(IMPDH)
4 LYS A 261
VAL A 242
VAL A 234
ILE A 260
None
0.99A 1iepA-4mz1A:
undetectable
1iepA-4mz1A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pu6 L-ASPARAGINASE ALPHA
SUBUNIT
L-ASPARAGINASE BETA
SUBUNIT


(Phaseolus
vulgaris)
PF01112
(Asparaginase_2)
4 VAL B 197
ILE B 292
MET B 320
ARG A  56
None
1.05A 1iepA-4pu6B:
undetectable
1iepA-4pu6B:
18.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL


(synthetic
construct)
PF07714
(Pkinase_Tyr)
4 LYS A  37
VAL A  65
ILE A  79
ARG A 128
None
0.85A 1iepA-4ueuA:
32.8
1iepA-4ueuA:
62.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ueu TYROSINE KINASE AS -
A COMMON ANCESTOR OF
SRC AND ABL


(synthetic
construct)
PF07714
(Pkinase_Tyr)
4 VAL A  65
ILE A  79
MET A  84
ARG A 128
None
0.58A 1iepA-4ueuA:
32.8
1iepA-4ueuA:
62.80
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.
4uvk ZYRO0D15994P

(Zygosaccharomyces
rouxii)
PF08514
(STAG)
4 VAL A 926
VAL A 858
ILE A 900
ARG A 918
None
0.92A 1iepA-4uvkA:
undetectable
1iepA-4uvkA:
13.91
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.
4wwx V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1


(Mus musculus)
PF12940
(RAG1)
4 VAL B 987
VAL B 472
MET B1003
ARG B 969
None
1.00A 1iepA-4wwxB:
undetectable
1iepA-4wwxB:
18.70
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.
4x8r TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT


(Rhodobacter
sphaeroides)
PF03480
(DctP)
4 LYS A 294
VAL A 288
ILE A 292
MET A 179
None
1.01A 1iepA-4x8rA:
undetectable
1iepA-4x8rA:
23.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xey TYROSINE-PROTEIN
KINASE ABL1


(Homo sapiens)
no annotation 4 LYS B 290
VAL B 308
VAL B 318
ILE B 332
1N1  B 601 (-4.6A)
None
1N1  B 601 ( 4.3A)
1N1  B 601 (-4.1A)
0.85A 1iepA-4xeyB:
35.1
1iepA-4xeyB:
71.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xey TYROSINE-PROTEIN
KINASE ABL1


(Homo sapiens)
no annotation 4 VAL B 308
VAL B 318
ILE B 332
MET B 337
None
1N1  B 601 ( 4.3A)
1N1  B 601 (-4.1A)
None
0.55A 1iepA-4xeyB:
35.1
1iepA-4xeyB:
71.50
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.
5ahm INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Pseudomonas
aeruginosa)
PF00478
(IMPDH)
4 VAL A 296
VAL A  45
ILE A 273
MET A  61
None
1.07A 1iepA-5ahmA:
undetectable
1iepA-5ahmA:
22.63
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.
5ahn INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Pseudomonas
aeruginosa)
PF00478
(IMPDH)
PF00571
(CBS)
4 VAL A 296
VAL A  45
ILE A 273
MET A  61
None
1.10A 1iepA-5ahnA:
undetectable
1iepA-5ahnA:
22.54
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.
5an9 60S RIBOSOMAL
PROTEIN L3


(Dictyostelium
discoideum)
PF00297
(Ribosomal_L3)
4 VAL A 336
ILE A 218
MET A  53
ARG A  24
None
None
C  N3384 ( 3.5A)
G  N3339 ( 2.8A)
1.01A 1iepA-5an9A:
undetectable
1iepA-5an9A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron)
PF15979
(Glyco_hydro_115)
4 VAL A  70
VAL A  28
ILE A 123
ARG A  41
None
1.01A 1iepA-5by3A:
undetectable
1iepA-5by3A:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c7r FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND TYPE-3
ICE-STRUCTURING
PROTEIN HPLC 12


(Escherichia
coli;
Zoarces
americanus)
PF01547
(SBP_bac_1)
4 VAL A 375
VAL A 390
ILE A 381
ARG A 409
None
1.13A 1iepA-5c7rA:
undetectable
1iepA-5c7rA:
20.92
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.
5hxz BARBITURASE

(Rhodococcus
erythropolis)
PF09663
(Amido_AtzD_TrzD)
4 VAL A  35
VAL A 241
ILE A  80
ARG A   8
None
1.05A 1iepA-5hxzA:
undetectable
1iepA-5hxzA:
21.82
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.
5irp ALANINE RACEMASE 2

(Bacillus
subtilis)
PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N)
4 VAL A 314
VAL A 355
ILE A 341
ARG A 317
None
None
None
CL  A 416 (-4.5A)
1.15A 1iepA-5irpA:
undetectable
1iepA-5irpA:
22.63
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.
5jrl DIPEPTIDYL
AMINOPEPTIDASES/ACYL
AMINOACYL-PEPTIDASES
-LIKE PROTEIN


(Sphingopyxis
alaskensis)
PF00326
(Peptidase_S9)
4 VAL A 457
VAL A 442
ILE A 548
ARG A 486
None
1.03A 1iepA-5jrlA:
undetectable
1iepA-5jrlA:
16.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l6o EPHRIN TYPE-B
RECEPTOR 3


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 LYS A 665
ILE A 709
MET A 714
ARG A 757
None
6P6  A1001 ( 4.5A)
None
None
0.73A 1iepA-5l6oA:
33.3
1iepA-5l6oA:
37.95
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.
5o6k POLYPHOSPHATE:AMP
PHOSPHOTRANSFERASE


(Meiothermus
ruber)
no annotation 4 LYS A 165
VAL A 107
ILE A 163
ARG A 147
None
1.06A 1iepA-5o6kA:
undetectable
1iepA-5o6kA:
13.75
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.
5txv ATP-DEPENDENT
PROTEASE ATPASE
SUBUNIT HSLU


(Escherichia
coli)
PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small)
4 VAL A 285
VAL A 290
ILE A  99
ARG A 279
None
1.06A 1iepA-5txvA:
undetectable
1iepA-5txvA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u1h OUTER MEMBRANE PORIN
F


(Pseudomonas
aeruginosa)
PF00691
(OmpA)
4 VAL A 111
VAL A  85
ILE A  29
ARG A  65
None
0.85A 1iepA-5u1hA:
undetectable
1iepA-5u1hA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wvr KLLA0C04147P

(Kluyveromyces
lactis)
PF01237
(Oxysterol_BP)
4 VAL A1060
VAL A1079
ILE A1041
ARG A 900
None
0.88A 1iepA-5wvrA:
undetectable
1iepA-5wvrA:
21.56
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.
5xt3 PHOSPHODIESTERASE
ACTING ON CYCLIC
DINUCLEOTIDES


(Staphylococcus
aureus)
no annotation 4 VAL A 469
VAL A 438
ILE A 324
ARG A 359
None
1.11A 1iepA-5xt3A:
undetectable
1iepA-5xt3A:
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.
5xw6 P2X PURINOCEPTOR

(Gallus gallus)
no annotation 4 VAL C 306
VAL C  92
ILE C 222
ARG C  62
None
1.04A 1iepA-5xw6C:
undetectable
1iepA-5xw6C:
20.82
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.
5zzk MONOFUNCTIONAL
GLYCOSYLTRANSFERASE


(Staphylococcus
aureus)
no annotation 4 VAL A 223
VAL A 242
ILE A 231
MET A 264
None
1.13A 1iepA-5zzkA:
undetectable
1iepA-5zzkA:
16.10
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.
6bng 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE


(Acinetobacter
baumannii)
no annotation 4 VAL A  24
VAL A  94
ILE A  97
ARG A  11
None
1.15A 1iepA-6bngA:
undetectable
1iepA-6bngA:
13.61
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.
6cn0 16S RRNA
(GUANINE(1405)-N(7))
-METHYLTRANSFERASE


(Proteus
mirabilis)
no annotation 4 LYS A 267
VAL A 258
ILE A 264
MET A 202
None
0.99A 1iepA-6cn0A:
undetectable
1iepA-6cn0A:
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.
6ewp CENTROSOMAL PROTEIN
OF 120 KDA


(Mus musculus)
no annotation 4 VAL A 500
ILE A 596
MET A 504
ARG A 480
None
1.09A 1iepA-6ewpA:
undetectable
1iepA-6ewpA:
11.95
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.
6f3d INTERLEUKIN-1
RECEPTOR-ASSOCIATED
KINASE 4


(Homo sapiens)
no annotation 4 LYS A 213
VAL A 246
MET A 265
ARG A 310
CJT  A 502 (-3.0A)
None
CJT  A 502 (-4.9A)
TPO  A 345 ( 4.9A)
1.09A 1iepA-6f3dA:
23.3
1iepA-6f3dA:
13.82