SIMILAR PATTERNS OF AMINO ACIDS FOR 1I3W_E_DVAE2_0

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.
1c3l SUBTILISIN-CARLSBERG

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		3 THR A 213
PRO A 210
THR A 211
 None
 0.85A 1i3wE-1c3lA:
undetectable		 1i3wE-1c3lA:
4.46
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.
1cpt CYTOCHROME P450-TERP

(Pseudomonas sp.) 		PF00067
(p450) 		3 THR A 109
PRO A 107
THR A 111
 None
 0.72A 1i3wE-1cptA:
undetectable		 1i3wE-1cptA:
5.65
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.
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans) 		PF00374
(NiFeSe_Hases) 		3 THR B 493
PRO B 491
THR B 492
 None
FNE  B 543 (-3.7A)
FNE  B 543 (-3.8A)
 0.76A 1i3wE-1e3dB:
undetectable		 1i3wE-1e3dB:
4.27
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.
1eg1 ENDOGLUCANASE I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		3 THR A   5
PRO A   8
THR A   7
 None
 0.84A 1i3wE-1eg1A:
undetectable		 1i3wE-1eg1A:
4.37
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.
1eu1 DIMETHYL SULFOXIDE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 THR A 109
PRO A 106
THR A 107
 None
 0.87A 1i3wE-1eu1A:
undetectable		 1i3wE-1eu1A:
1.03
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.
1gz4 NAD-DEPENDENT MALIC
ENZYME

(Homo sapiens) 		PF00390
(malic)
PF03949
(Malic_M) 		3 THR A 115
PRO A 109
THR A 113
 None
 0.83A 1i3wE-1gz4A:
undetectable		 1i3wE-1gz4A:
2.22
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.
1h3p ANTIBODY FAB
FRAGMENT

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 THR H  64
PRO H  60
THR H  62
 None
 0.85A 1i3wE-1h3pH:
undetectable		 1i3wE-1h3pH:
13.11
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.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		3 THR A 555
PRO A 553
THR A 554
 None
 0.74A 1i3wE-1h7wA:
undetectable		 1i3wE-1h7wA:
1.34
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.
1he3 BILIVERDIN IX BETA
REDUCTASE

(Homo sapiens) 		PF13460
(NAD_binding_10) 		3 THR A 166
PRO A 201
THR A 199
 None
 0.80A 1i3wE-1he3A:
undetectable		 1i3wE-1he3A:
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.
1jio CYTOCHROME P450
107A1

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		3 THR A  97
PRO A  95
THR A  99
 None
 0.78A 1i3wE-1jioA:
undetectable		 1i3wE-1jioA:
7.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofu CELL DIVISION
PROTEIN FTSZ

(Pseudomonas
aeruginosa) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		3 THR A 133
PRO A 165
THR A 163
 GDP  A1318 ( 4.9A)
None
None
 0.87A 1i3wE-1ofuA:
undetectable		 1i3wE-1ofuA:
6.54
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.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		3 THR A 687
PRO A 614
THR A 688
 None
 0.85A 1i3wE-1qafA:
undetectable		 1i3wE-1qafA:
2.96
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.
1qqh PAPILLOMAVIRUS
TRANSCRIPTION FACTOR
E2

(Alphapapillomavirus
7) 		PF00508
(PPV_E2_N) 		3 THR A 104
PRO A 106
THR A 107
 None
 0.85A 1i3wE-1qqhA:
undetectable		 1i3wE-1qqhA:
24.14
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.
1tf1 NEGATIVE REGULATOR
OF ALLANTOIN AND
GLYOXYLATE
UTILIZATION OPERONS

(Escherichia
coli) 		PF01614
(IclR) 		3 THR A 100
PRO A  98
THR A  99
 None
 0.86A 1i3wE-1tf1A:
undetectable		 1i3wE-1tf1A:
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.
1tg5 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Arabidopsis
thaliana) 		PF00903
(Glyoxalase) 		3 THR A  95
PRO A  93
THR A  94
 None
 0.80A 1i3wE-1tg5A:
undetectable		 1i3wE-1tg5A:
3.19
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.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		3 THR A1032
PRO A1034
THR A1035
 None
 0.78A 1i3wE-1ux6A:
undetectable		 1i3wE-1ux6A:
4.78
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.
1wpi HYPOTHETICAL 15.6
KDA PROTEIN IN
NAP1-TRK2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF07955
(DUF1687) 		3 THR A  86
PRO A  88
THR A  89
 None
 0.85A 1i3wE-1wpiA:
undetectable		 1i3wE-1wpiA:
12.82
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.
1zlr COAGULATION FACTOR
XI

(Homo sapiens) 		PF00089
(Trypsin) 		3 THR A  36
PRO A  37
THR A  37
 None
 0.86A 1i3wE-1zlrA:
undetectable		 1i3wE-1zlrA:
4.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c34 INHIBITOR OF
CYSTEINE PEPTIDASES

(Leishmania
mexicana) 		PF09394
(Inhibitor_I42) 		3 THR A  32
PRO A  30
THR A  31
 None
 0.82A 1i3wE-2c34A:
undetectable		 1i3wE-2c34A:
8.25
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.
2cl2 PUTATIVE
LAMINARINASE

(Phanerochaete
chrysosporium) 		no annotation 3 THR A 252
PRO A 100
THR A  98
 None
 0.88A 1i3wE-2cl2A:
undetectable		 1i3wE-2cl2A:
10.00
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.
2f5u VIRION PROTEIN UL25

(Human
alphaherpesvirus
1) 		PF01499
(Herpes_UL25) 		3 THR A 186
PRO A 191
THR A 188
 None
 0.87A 1i3wE-2f5uA:
undetectable		 1i3wE-2f5uA:
2.33
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.
2ipi ACLACINOMYCIN
OXIDOREDUCTASE
(AKNOX)

(Streptomyces
galilaeus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		3 THR A 392
PRO A 388
THR A 390
 None
 0.84A 1i3wE-2ipiA:
undetectable		 1i3wE-2ipiA:
2.27
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.
2nnu REGULATORY PROTEIN
E2

(Alphapapillomavirus
9) 		PF00508
(PPV_E2_N) 		3 THR A 104
PRO A 106
THR A 107
 None
 0.72A 1i3wE-2nnuA:
undetectable		 1i3wE-2nnuA:
5.33
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.
2pff FATTY ACID SYNTHASE
SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF16073
(SAT) 		3 THR B  56
PRO B  54
THR B  55
 None
 0.71A 1i3wE-2pffB:
undetectable		 1i3wE-2pffB:
1.96
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.
2pwj MITOCHONDRIAL
PEROXIREDOXIN

(Pisum sativum) 		PF08534
(Redoxin) 		3 THR A  23
PRO A  36
THR A  34
 None
 0.88A 1i3wE-2pwjA:
undetectable		 1i3wE-2pwjA:
12.00
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.
2r6f EXCINUCLEASE ABC
SUBUNIT A

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		3 THR A 857
PRO A 855
THR A 856
 None
 0.84A 1i3wE-2r6fA:
undetectable		 1i3wE-2r6fA:
2.28
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.
2rfq 3-HSA HYDROXYLASE,
OXYGENASE

(Rhodococcus
jostii) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		3 THR A 237
PRO A 235
THR A 236
 None
 0.76A 1i3wE-2rfqA:
undetectable		 1i3wE-2rfqA:
3.45
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.
2rs5 HUMAN RHINOVIRUS 14
COAT PROTEIN
(SUBUNIT VP2)

(Rhinovirus B) 		PF00073
(Rhv) 		3 THR 2 145
PRO 2 149
THR 2 147
 None
 0.77A 1i3wE-2rs52:
undetectable		 1i3wE-2rs52:
7.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v7z HEAT SHOCK COGNATE
71 KDA PROTEIN

(Rattus
norvegicus) 		PF00012
(HSP70) 		3 THR A  66
PRO A  63
THR A  64
 None
 0.81A 1i3wE-2v7zA:
undetectable		 1i3wE-2v7zA:
3.40
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.
2v9q ROUNDABOUT HOMOLOG 1

(Homo sapiens) 		PF07679
(I-set)
PF13927
(Ig_3) 		3 THR A 230
PRO A 186
THR A 228
 None
 0.74A 1i3wE-2v9qA:
undetectable		 1i3wE-2v9qA:
10.17
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.
2wgr GLUTATHIONE
PEROXIDASE

(Schistosoma
mansoni) 		PF00255
(GSHPx) 		3 THR A 153
PRO A 151
THR A 152
 None
POP  A1170 (-4.4A)
None
 0.82A 1i3wE-2wgrA:
undetectable		 1i3wE-2wgrA:
10.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xn6 THYROXINE-BINDING
GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		3 THR A  38
PRO A  42
THR A  41
 None
None
EDO  A1363 ( 3.9A)
 0.86A 1i3wE-2xn6A:
undetectable		 1i3wE-2xn6A:
3.37
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		3 THR F 588
PRO F 586
THR F 587
 None
 0.86A 1i3wE-2xwbF:
undetectable		 1i3wE-2xwbF:
2.95
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.
2z5l TYLACTONE SYNTHASE
STARTER MODULE AND
MODULES 1 & 2

(Streptomyces
fradiae) 		PF08659
(KR) 		3 THR A  37
PRO A  35
THR A  36
 None
 0.73A 1i3wE-2z5lA:
undetectable		 1i3wE-2z5lA:
6.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		3 THR A 278
PRO A 274
THR A 276
 None
FAD  A 600 ( 4.9A)
None
 0.84A 1i3wE-2z5xA:
undetectable		 1i3wE-2z5xA:
1.77
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.
3a9x SELENOCYSTEINE LYASE

(Rattus
norvegicus) 		PF00266
(Aminotran_5) 		3 THR A 176
PRO A 174
THR A 175
 None
 0.86A 1i3wE-3a9xA:
undetectable		 1i3wE-3a9xA:
2.39
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.
3ayx MEMBRANE-BOUND
HYDROGENASE LARGE
SUBUNIT

(Hydrogenovibrio
marinus) 		PF00374
(NiFeSe_Hases) 		3 THR A 547
PRO A 545
THR A 546
 None
CYN  A 605 ( 3.6A)
CYN  A 605 (-3.7A)
 0.73A 1i3wE-3ayxA:
undetectable		 1i3wE-3ayxA:
1.96
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.
3csk PROBABLE
DIPEPTIDYL-PEPTIDASE
3

(Saccharomyces
cerevisiae) 		PF03571
(Peptidase_M49) 		3 THR A 236
PRO A 240
THR A 238
 None
 0.80A 1i3wE-3cskA:
undetectable		 1i3wE-3cskA:
1.80
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.
3dao PUTATIVE PHOSPHATE

([Eubacterium]
rectale) 		PF08282
(Hydrolase_3) 		3 THR A  69
PRO A  82
THR A  80
 None
 0.88A 1i3wE-3daoA:
undetectable		 1i3wE-3daoA:
9.43
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.
3h1q ETHANOLAMINE
UTILIZATION PROTEIN
EUTJ

(Carboxydothermus
hydrogenoformans) 		PF14450
(FtsA) 		3 THR A 166
PRO A 165
THR A 147
 None
 0.83A 1i3wE-3h1qA:
undetectable		 1i3wE-3h1qA:
4.97
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.
3ik4 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Herpetosiphon
aurantiacus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 THR A   4
PRO A   2
THR A   3
 None
 0.87A 1i3wE-3ik4A:
undetectable		 1i3wE-3ik4A:
3.11
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.
3ikm DNA POLYMERASE
SUBUNIT GAMMA-1

(Homo sapiens) 		PF00476
(DNA_pol_A) 		3 THR A 638
PRO A 635
THR A 636
 None
 0.80A 1i3wE-3ikmA:
undetectable		 1i3wE-3ikmA:
0.84
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.
3iq2 SORTING NEXIN-7

(Homo sapiens) 		PF00787
(PX) 		3 THR A 135
PRO A 132
THR A 133
 None
 0.87A 1i3wE-3iq2A:
undetectable		 1i3wE-3iq2A:
11.11
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.
3kh5 PROTEIN MJ1225

(Methanocaldococcus
jannaschii) 		PF00571
(CBS) 		3 THR A  21
PRO A  19
THR A  20
 None
 0.83A 1i3wE-3kh5A:
undetectable		 1i3wE-3kh5A:
3.67
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.
3krv HYDROLASE

(Geobacillus
stearothermophilus) 		PF04199
(Cyclase) 		3 THR A  48
PRO A 195
THR A  46
 None
 0.85A 1i3wE-3krvA:
undetectable		 1i3wE-3krvA:
5.73
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.
3lxm ASPARTATE
CARBAMOYLTRANSFERASE

(Yersinia pestis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		3 THR A 139
PRO A 136
THR A 137
 None
 0.87A 1i3wE-3lxmA:
undetectable		 1i3wE-3lxmA:
3.28
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.
3nz4 PHENYLALANINE
AMMONIA-LYASE

(Taxus
canadensis) 		PF00221
(Lyase_aromatic) 		3 THR A 129
PRO A 125
THR A 127
 None
 0.79A 1i3wE-3nz4A:
undetectable		 1i3wE-3nz4A:
1.63
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.
3op7 AMINOTRANSFERASE
CLASS I AND II

(Streptococcus
suis) 		PF00155
(Aminotran_1_2) 		3 THR A 154
PRO A 152
THR A 153
 None
 0.79A 1i3wE-3op7A:
undetectable		 1i3wE-3op7A:
2.87
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.
3otx ADENOSINE KINASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00294
(PfkB) 		3 THR A 270
PRO A 282
THR A 280
 AP5  A 346 (-4.5A)
None
None
 0.83A 1i3wE-3otxA:
undetectable		 1i3wE-3otxA:
3.62
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.
3pdm COAT PROTEIN

(Hibiscus latent
Singapore virus) 		PF00721
(TMV_coat) 		3 THR P 104
PRO P 102
THR P 103
 None
 0.85A 1i3wE-3pdmP:
undetectable		 1i3wE-3pdmP:
21.21
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.
3q1y LIN2199 PROTEIN

(Listeria
innocua) 		PF00294
(PfkB) 		3 THR A 270
PRO A 266
THR A 268
 None
 0.82A 1i3wE-3q1yA:
undetectable		 1i3wE-3q1yA:
5.06
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.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		3 THR L 554
PRO L 552
THR L 553
 None
NFU  L1004 (-3.6A)
NFU  L1004 (-3.8A)
 0.74A 1i3wE-3rgwL:
undetectable		 1i3wE-3rgwL:
1.57
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		3 THR A 140
PRO A 479
THR A 477
 None
 0.87A 1i3wE-3rh9A:
undetectable		 1i3wE-3rh9A:
2.73
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.
3sc2 SERINE
CARBOXYPEPTIDASE II
(CPDW-II)

(Triticum
aestivum) 		PF00450
(Peptidase_S10) 		3 THR B 346
PRO B 342
THR B 344
 None
 0.71A 1i3wE-3sc2B:
undetectable		 1i3wE-3sc2B:
7.14
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.
3usc HYDROGENASE-1 LARGE
CHAIN

(Escherichia
coli) 		PF00374
(NiFeSe_Hases) 		3 THR L 533
PRO L 531
THR L 532
 None
FCO  L 601 (-3.5A)
FCO  L 601 (-3.7A)
 0.72A 1i3wE-3uscL:
undetectable		 1i3wE-3uscL:
2.00
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.
3wdy BETA-1,3-1,4-GLUCANA
SE

(Paecilomyces
sp.
'thermophila') 		no annotation 3 THR A 248
PRO A  98
THR A  96
 None
 0.88A 1i3wE-3wdyA:
undetectable		 1i3wE-3wdyA:
10.00
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.
3zsu TLL2057 PROTEIN

(Thermosynechococcus
elongatus) 		no annotation 3 THR A 105
PRO A 102
THR A 103
 None
 0.86A 1i3wE-3zsuA:
undetectable		 1i3wE-3zsuA:
7.14
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.
4a1r LIP

(Serratia
marcescens) 		PF12790
(T6SS-SciN) 		3 THR A 145
PRO A 142
THR A 143
 None
 0.85A 1i3wE-4a1rA:
undetectable		 1i3wE-4a1rA:
5.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4av6 K(+)-STIMULATED
PYROPHOSPHATE-ENERGI
ZED SODIUM PUMP

(Thermotoga
maritima) 		PF03030
(H_PPase) 		3 THR A 423
PRO A 420
THR A 421
 None
 0.84A 1i3wE-4av6A:
undetectable		 1i3wE-4av6A:
2.44
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.
4btp P1

(Pseudomonas
phage phi8) 		no annotation 3 THR A 297
PRO A 299
THR A 295
 None
 0.73A 1i3wE-4btpA:
undetectable		 1i3wE-4btpA:
3.03
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.
4byf UNCONVENTIONAL
MYOSIN-IC

(Homo sapiens) 		PF00063
(Myosin_head)
PF00612
(IQ) 		3 THR A 647
PRO A 649
THR A 650
 None
 0.78A 1i3wE-4byfA:
undetectable		 1i3wE-4byfA:
1.75
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.
4c3o HYDROGENASE-1 LARGE
SUBUNIT

(Salmonella
enterica) 		PF00374
(NiFeSe_Hases) 		3 THR A 536
PRO A 534
THR A 535
 None
NFU  A1004 (-3.8A)
NFU  A1004 (-3.7A)
 0.76A 1i3wE-4c3oA:
undetectable		 1i3wE-4c3oA:
2.81
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.
4dza LYSINE RACEMASE

(Proteus
mirabilis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		3 THR A 248
PRO A 252
THR A 250
 None
 0.80A 1i3wE-4dzaA:
undetectable		 1i3wE-4dzaA:
8.55
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.
4eog PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09455
(Cas_DxTHG) 		3 THR A 176
PRO A 173
THR A 174
 None
 0.82A 1i3wE-4eogA:
undetectable		 1i3wE-4eogA:
5.00
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.
4f1h TYROSYL-DNA
PHOSPHODIESTERASE 2

(Danio rerio) 		PF03372
(Exo_endo_phos) 		3 THR A 211
PRO A 209
THR A 210
 None
 0.69A 1i3wE-4f1hA:
undetectable		 1i3wE-4f1hA:
29.17
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.
4fd0 LEUCINE RICH
HYPOTHETICAL PROTEIN

(Bacteroides
caccae) 		PF07523
(Big_3)
PF13306
(LRR_5) 		3 THR A 217
PRO A 192
THR A 193
 None
 0.85A 1i3wE-4fd0A:
undetectable		 1i3wE-4fd0A:
9.80
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.
4h16 SHORT CHAIN ALCOHOL
DEHYDROGENASE-RELATE
D DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		3 THR A 148
PRO A 145
THR A 149
 P6G  A 305 ( 4.5A)
None
None
 0.78A 1i3wE-4h16A:
undetectable		 1i3wE-4h16A:
3.27
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.
4k24 ANTI-UPAR ANTIBODY,
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 THR H 117
PRO H 147
THR H 116
 None
 0.84A 1i3wE-4k24H:
undetectable		 1i3wE-4k24H:
7.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l2j OSMOTIN: ANTIFUNGAL
LATICIFER PROTEIN

(Calotropis
procera) 		PF00314
(Thaumatin) 		3 THR A 189
PRO A 186
THR A 187
 None
 0.80A 1i3wE-4l2jA:
undetectable		 1i3wE-4l2jA:
3.92
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.
4lmp ALANINE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		3 THR A 308
PRO A 306
THR A 310
 None
 0.77A 1i3wE-4lmpA:
undetectable		 1i3wE-4lmpA:
4.10
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.
4mqd DNA-ENTRY NUCLEASE
INHIBITOR

(Bacillus
subtilis) 		PF11033
(ComJ) 		3 THR A 124
PRO A 114
THR A 112
 None
 0.88A 1i3wE-4mqdA:
undetectable		 1i3wE-4mqdA:
7.83
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.
4pmh PECTINESTERASE

(Sitophilus
oryzae) 		PF01095
(Pectinesterase) 		3 THR A 111
PRO A 113
THR A 143
 None
 0.80A 1i3wE-4pmhA:
undetectable		 1i3wE-4pmhA:
3.06
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.
4qor CATALASE

(Bacillus
pumilus) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		3 THR A 169
PRO A 172
THR A 171
 None
 0.84A 1i3wE-4qorA:
undetectable		 1i3wE-4qorA:
2.48
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		3 THR A 726
PRO A 730
THR A 728
 None
 0.85A 1i3wE-4r04A:
undetectable		 1i3wE-4r04A:
0.92
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.
4uob ENDONUCLEASE III-3

(Deinococcus
radiodurans) 		PF00730
(HhH-GPD) 		3 THR A 150
PRO A 154
THR A 152
 None
 0.87A 1i3wE-4uobA:
undetectable		 1i3wE-4uobA:
5.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uz1 NOTUM

(Homo sapiens) 		PF03283
(PAE) 		3 THR A 282
PRO A 287
THR A 284
 None
 0.81A 1i3wE-4uz1A:
undetectable		 1i3wE-4uz1A:
2.53
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.
4xvh CARBOHYDRATE
ESTERASE FAMILY 2
(CE2)

(Chaetomium) 		PF13472
(Lipase_GDSL_2) 		3 THR A 285
PRO A 287
THR A 288
 None
 0.67A 1i3wE-4xvhA:
undetectable		 1i3wE-4xvhA:
3.60
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.
4yk2 BARTONELLA EFFECTOR
PROTEIN (BEP)
SUBSTRATE OF VIRB
T4SS

(Bartonella
clarridgeiae) 		no annotation 3 THR A 129
PRO A 134
THR A 131
 None
 0.85A 1i3wE-4yk2A:
undetectable		 1i3wE-4yk2A:
4.08
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.
5ac9 VP1

(Foot-and-mouth
disease virus) 		PF00073
(Rhv) 		3 THR 1  70
PRO 1 188
THR 1  68
 None
 0.87A 1i3wE-5ac91:
undetectable		 1i3wE-5ac91:
4.86
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.
5bw8 UBIQUITIN-LIKE
PROTEIN MDY2

(Saccharomyces
cerevisiae) 		PF16843
(Get5_bdg) 		3 THR D  23
PRO D  25
THR D  21
 None
 0.83A 1i3wE-5bw8D:
undetectable		 1i3wE-5bw8D:
17.07
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.
5bwy PLASMEPSIN-2

(Plasmodium
falciparum) 		PF00026
(Asp) 		3 THR A 116
PRO A 113
THR A 114
 None
 0.79A 1i3wE-5bwyA:
undetectable		 1i3wE-5bwyA:
2.78
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.
5dis MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR PORE
COMPLEX PROTEIN
NUP214

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		3 THR D1946
PRO D1943
THR D1944
 None
 0.73A 1i3wE-5disD:
undetectable		 1i3wE-5disD:
2.42
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.
5dyn PUTATIVE PEPTIDASE

(Bacteroides
fragilis) 		PF03415
(Peptidase_C11) 		3 THR B 282
PRO B 278
THR B 388
 None
 0.80A 1i3wE-5dynB:
undetectable		 1i3wE-5dynB:
11.11
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.
5eod COAGULATION FACTOR
XI

(Homo sapiens) 		PF00024
(PAN_1)
PF00089
(Trypsin) 		3 THR A 390
PRO A 392
THR A 393
 None
 0.68A 1i3wE-5eodA:
undetectable		 1i3wE-5eodA:
1.75
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.
5has SEC7

(Thielavia
terrestris) 		PF12783
(Sec7_N)
PF16213
(DCB) 		3 THR A  64
PRO A  62
THR A  66
 None
 0.71A 1i3wE-5hasA:
undetectable		 1i3wE-5hasA:
2.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hs8 HTH-TYPE
TRANSCRIPTIONAL
REGULATOR YODB

(Bacillus
subtilis) 		PF01638
(HxlR) 		3 THR A  39
PRO A  43
THR A  41
 None
 0.64A 1i3wE-5hs8A:
undetectable		 1i3wE-5hs8A:
11.94
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.
5ify GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Burkholderia
vietnamiensis) 		PF00483
(NTP_transferase) 		3 THR A  56
PRO A  83
THR A  81
 None
 0.79A 1i3wE-5ifyA:
undetectable		 1i3wE-5ifyA:
6.72
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.
5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)

(Parageobacillus
thermoglucosidasius) 		PF00171
(Aldedh) 		3 THR A 146
PRO A 143
THR A 144
 None
ACT  A1005 (-3.9A)
ACT  A1005 (-3.3A)
 0.86A 1i3wE-5j78A:
undetectable		 1i3wE-5j78A:
2.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		3 THR A 203
PRO A 200
THR A 201
 None
 0.88A 1i3wE-5jfmA:
undetectable		 1i3wE-5jfmA:
3.61
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.
5k9x TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Legionella
pneumophila) 		PF00290
(Trp_syntA) 		3 THR A 158
PRO A 156
THR A 157
 None
 0.86A 1i3wE-5k9xA:
undetectable		 1i3wE-5k9xA:
3.75
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.
5m1m MATRIX PROTEIN 1

(Influenza C
virus) 		PF03026
(CM1) 		3 THR A  21
PRO A  19
THR A  23
 None
 0.82A 1i3wE-5m1mA:
undetectable		 1i3wE-5m1mA:
9.18
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.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Archaeoglobus
fulgidus) 		no annotation 3 THR A 199
PRO A 201
THR A 228
 None
None
TAM  A 303 (-3.9A)
 0.88A 1i3wE-5mqzA:
undetectable		 1i3wE-5mqzA:
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.
5ngk GLUCOSYLCERAMIDASE

(Bacteroides
thetaiotaomicron) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		3 THR A  69
PRO A  67
THR A  68
 None
 0.87A 1i3wE-5ngkA:
undetectable		 1i3wE-5ngkA:
1.86
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.
5of4 GENERAL
TRANSCRIPTION FACTOR
IIH SUBUNIT
4,P52,GENERAL
TRANSCRIPTION FACTOR
IIH SUBUNIT 4

(Homo sapiens) 		no annotation 3 THR D 388
PRO D 385
THR D 386
 None
 0.81A 1i3wE-5of4D:
undetectable		 1i3wE-5of4D:
10.61
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.
5tte E3 UBIQUITIN-PROTEIN
LIGASE ARIH1

(Homo sapiens) 		PF01485
(IBR) 		3 THR B 131
PRO B 127
THR B 129
 None
 0.77A 1i3wE-5tteB:
undetectable		 1i3wE-5tteB:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w0a GLUCANASE

(Trichoderma
harzianum) 		no annotation 3 THR A   5
PRO A   8
THR A   7
 THR  A   5 ( 0.8A)
PRO  A   8 ( 1.1A)
THR  A   7 ( 0.8A)
 0.88A 1i3wE-5w0aA:
undetectable		 1i3wE-5w0aA:
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.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		3 THR A 502
PRO A 504
THR A 505
 None
 0.64A 1i3wE-5w1uA:
undetectable		 1i3wE-5w1uA:
2.15
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.
5xdr PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE DHX15

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		3 THR A 237
PRO A 193
THR A 191
 None
 0.85A 1i3wE-5xdrA:
undetectable		 1i3wE-5xdrA:
3.70
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.
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)

(Homo sapiens) 		no annotation 3 THR A1076
PRO A1073
THR A1074
 None
 0.80A 1i3wE-6bq1A:
undetectable		 1i3wE-6bq1A:
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.
6fa5 PUTATIVE MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		no annotation 3 THR A 395
PRO A 351
THR A 349
 None
 0.86A 1i3wE-6fa5A:
undetectable		 1i3wE-6fa5A:
undetectable