SIMILAR PATTERNS OF AMINO ACIDS FOR 5JWA_H_ACTH612_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.
1b1y PROTEIN
(BETA-AMYLASE)

(Hordeum vulgare) 		PF01373
(Glyco_hydro_14) 		3 ARG A 186
PRO A 181
ASN A 129
 None
 0.95A 5jwaA-1b1yA:
0.6
5jwaH-1b1yA:
1.9		 5jwaA-1b1yA:
18.66
5jwaH-1b1yA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1btc BETA-AMYLASE

(Glycine max) 		PF01373
(Glyco_hydro_14) 		3 ARG A 188
PRO A 183
ASN A 131
 None
 1.00A 5jwaA-1btcA:
1.8
5jwaH-1btcA:
1.9		 5jwaA-1btcA:
22.68
5jwaH-1btcA:
22.68
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.
1cc1 HYDROGENASE (LARGE
SUBUNIT)

(Desulfomicrobium
baculatum) 		PF00374
(NiFeSe_Hases) 		3 ARG L 425
PRO L 424
ASN L 108
 FCO  L 499 (-4.1A)
FCO  L 499 ( 3.5A)
H2S  L 502 (-4.0A)
 0.98A 5jwaA-1cc1L:
0.0
5jwaH-1cc1L:
0.0		 5jwaA-1cc1L:
23.08
5jwaH-1cc1L:
23.08
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.
1e6v METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I GAMMA
SUBUNIT

(Methanopyrus
kandleri;
Methanopyrus
kandleri) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N)
PF02240
(MCR_gamma) 		3 ARG B  15
PRO C  69
ASN B 208
 None
 0.83A 5jwaA-1e6vB:
0.0
5jwaH-1e6vB:
0.0		 5jwaA-1e6vB:
19.96
5jwaH-1e6vB:
19.96
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.
1fpq ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		3 ARG A  90
PRO A 310
ASN A 314
 None
 0.96A 5jwaA-1fpqA:
2.7
5jwaH-1fpqA:
2.7		 5jwaA-1fpqA:
21.02
5jwaH-1fpqA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gju MALTODEXTRIN
GLYCOSYLTRANSFERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09083
(DUF1923) 		3 ARG A 322
PRO A 269
ASN A 271
 None
 0.90A 5jwaA-1gjuA:
0.0
5jwaH-1gjuA:
0.0		 5jwaA-1gjuA:
23.01
5jwaH-1gjuA:
23.01
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.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		3 ARG A  35
PRO A  10
ASN A 445
 None
 1.04A 5jwaA-1iduA:
undetectable
5jwaH-1iduA:
undetectable		 5jwaA-1iduA:
20.45
5jwaH-1iduA:
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.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		3 ARG A  35
PRO A  10
ASN A 448
 None
 0.92A 5jwaA-1iduA:
undetectable
5jwaH-1iduA:
undetectable		 5jwaA-1iduA:
20.45
5jwaH-1iduA:
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.
1ipf TROPINONE
REDUCTASE-II

(Datura
stramonium) 		PF13561
(adh_short_C2) 		3 ARG A 138
PRO A 238
ASN A   6
 None
 1.08A 5jwaA-1ipfA:
5.5
5jwaH-1ipfA:
5.5		 5jwaA-1ipfA:
18.09
5jwaH-1ipfA:
18.09
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.
1iyn CHLOROPLASTIC
ASCORBATE PEROXIDASE

(Nicotiana
tabacum) 		PF00141
(peroxidase) 		3 ARG A 129
PRO A 125
ASN A  53
 None
None
NA  A 298 (-2.9A)
 0.88A 5jwaA-1iynA:
undetectable
5jwaH-1iynA:
undetectable		 5jwaA-1iynA:
20.55
5jwaH-1iynA:
20.55
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.
1kzh PHOSPHOFRUCTOKINASE

(Borreliella
burgdorferi) 		PF00365
(PFK) 		3 ARG A  10
PRO A 435
ASN A  89
 None
 0.89A 5jwaA-1kzhA:
2.8
5jwaH-1kzhA:
undetectable		 5jwaA-1kzhA:
23.11
5jwaH-1kzhA:
23.11
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.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		3 ARG A 418
PRO A 673
ASN A 697
 None
 1.00A 5jwaA-1lzxA:
undetectable
5jwaH-1lzxA:
undetectable		 5jwaA-1lzxA:
19.74
5jwaH-1lzxA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		3 ARG A 187
PRO A 442
ASN A 466
 None
 1.01A 5jwaA-1m9qA:
undetectable
5jwaH-1m9qA:
undetectable		 5jwaA-1m9qA:
19.93
5jwaH-1m9qA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE
METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus;
Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox)
PF02332
(Phenol_Hydrox) 		3 ARG D 175
PRO B  58
ASN D 116
 None
 0.88A 5jwaA-1mtyD:
undetectable
5jwaH-1mtyD:
undetectable		 5jwaA-1mtyD:
20.58
5jwaH-1mtyD:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p16 MRNA CAPPING ENZYME
ALPHA SUBUNIT

(Candida
albicans) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		3 ARG A  35
PRO A  41
ASN A  94
 None
 1.01A 5jwaA-1p16A:
undetectable
5jwaH-1p16A:
undetectable		 5jwaA-1p16A:
22.08
5jwaH-1p16A:
22.08
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		3 ARG B 206
PRO B 113
ASN B 160
 None
 0.82A 5jwaA-1poiB:
undetectable
5jwaH-1poiB:
undetectable		 5jwaA-1poiB:
20.68
5jwaH-1poiB:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qhl PROTEIN (CELL
DIVISION PROTEIN
MUKB)

(Escherichia
coli) 		PF04310
(MukB) 		3 ARG A 146
PRO A 149
ASN A 151
 None
 1.03A 5jwaA-1qhlA:
undetectable
5jwaH-1qhlA:
undetectable		 5jwaA-1qhlA:
17.57
5jwaH-1qhlA:
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.
1qw5 NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Mus musculus) 		PF02898
(NO_synthase) 		3 ARG A 197
PRO A 452
ASN A 476
 None
 1.07A 5jwaA-1qw5A:
undetectable
5jwaH-1qw5A:
undetectable		 5jwaA-1qw5A:
22.06
5jwaH-1qw5A:
22.06
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.
1r30 BIOTIN SYNTHASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		3 ARG A 260
PRO A 220
ASN A 153
 FES  A 402 (-2.5A)
DTB  A 502 ( 4.7A)
DTB  A 502 ( 3.7A)
 0.98A 5jwaA-1r30A:
undetectable
5jwaH-1r30A:
undetectable		 5jwaA-1r30A:
20.42
5jwaH-1r30A:
20.42
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.
1td2 PYRIDOXAMINE KINASE

(Escherichia
coli) 		PF08543
(Phos_pyr_kin) 		3 ARG A  27
PRO A  35
ASN A  37
 None
 1.10A 5jwaA-1td2A:
2.4
5jwaH-1td2A:
undetectable		 5jwaA-1td2A:
20.20
5jwaH-1td2A:
20.20
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.
1uf2 CORE PROTEIN P3

(Rice dwarf
virus) 		PF09231
(RDV-p3) 		3 ARG A 503
PRO A 514
ASN A 516
 None
 0.96A 5jwaA-1uf2A:
undetectable
5jwaH-1uf2A:
undetectable		 5jwaA-1uf2A:
19.75
5jwaH-1uf2A:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ven BETA-AMYLASE

(Bacillus cereus) 		PF00686
(CBM_20)
PF01373
(Glyco_hydro_14) 		3 ARG A 174
PRO A 169
ASN A 126
 None
 0.87A 5jwaA-1venA:
undetectable
5jwaH-1venA:
undetectable		 5jwaA-1venA:
22.22
5jwaH-1venA:
22.22
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.
1wao SERINE/THREONINE
PROTEIN PHOSPHATASE
5

(Homo sapiens) 		PF00149
(Metallophos)
PF00515
(TPR_1)
PF08321
(PPP5) 		3 ARG 1 301
PRO 1 375
ASN 1 308
 None
 1.06A 5jwaA-1wao1:
undetectable
5jwaH-1wao1:
undetectable		 5jwaA-1wao1:
23.05
5jwaH-1wao1:
23.05
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.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		3 ARG A 148
PRO A  25
ASN A  73
 None
 1.10A 5jwaA-1wkbA:
undetectable
5jwaH-1wkbA:
undetectable		 5jwaA-1wkbA:
21.47
5jwaH-1wkbA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2exa PENICILLIN-BINDING
PROTEIN 4

(Escherichia
coli) 		PF02113
(Peptidase_S13) 		3 ARG A 361
PRO A 152
ASN A 154
 None
 0.88A 5jwaA-2exaA:
undetectable
5jwaH-2exaA:
undetectable		 5jwaA-2exaA:
21.44
5jwaH-2exaA:
21.44
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.
2f9y ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Escherichia
coli) 		PF01039
(Carboxyl_trans) 		3 ARG B 262
PRO B 264
ASN B  42
 None
 0.82A 5jwaA-2f9yB:
undetectable
5jwaH-2f9yB:
undetectable		 5jwaA-2f9yB:
18.86
5jwaH-2f9yB:
18.86
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.
2i1y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE

(Homo sapiens) 		PF00102
(Y_phosphatase) 		3 ARG A 899
PRO A 778
ASN A 927
 None
 1.07A 5jwaA-2i1yA:
undetectable
5jwaH-2i1yA:
undetectable		 5jwaA-2i1yA:
18.02
5jwaH-2i1yA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ipa PROTEIN ARSC

(Bacillus
subtilis) 		PF01451
(LMWPc) 		3 ARG B  16
PRO B 106
ASN B  47
 None
 1.08A 5jwaA-2ipaB:
4.7
5jwaH-2ipaB:
4.6		 5jwaA-2ipaB:
14.20
5jwaH-2ipaB:
14.20
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.
2mzw ELONGATION FACTOR G

(Staphylococcus
aureus) 		PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		3 ARG A 665
PRO A 612
ASN A 638
 None
 1.07A 5jwaA-2mzwA:
undetectable
5jwaH-2mzwA:
undetectable		 5jwaA-2mzwA:
18.34
5jwaH-2mzwA:
18.34
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.
2ome C-TERMINAL-BINDING
PROTEIN 2

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		3 ARG A 190
PRO A 127
ASN A 355
 NAD  A 901 (-4.0A)
None
None
 1.08A 5jwaA-2omeA:
4.1
5jwaH-2omeA:
4.5		 5jwaA-2omeA:
19.10
5jwaH-2omeA:
19.10
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.
2rb4 ATP-DEPENDENT RNA
HELICASE DDX25

(Homo sapiens) 		PF00271
(Helicase_C) 		3 ARG A 431
PRO A 416
ASN A 446
 None
 1.01A 5jwaA-2rb4A:
undetectable
5jwaH-2rb4A:
undetectable		 5jwaA-2rb4A:
16.27
5jwaH-2rb4A:
16.27
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		3 ARG A1934
PRO A1043
ASN A1018
 None
 0.89A 5jwaA-2vz9A:
undetectable
5jwaH-2vz9A:
undetectable		 5jwaA-2vz9A:
11.04
5jwaH-2vz9A:
11.04
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.
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		3 ARG A 703
PRO A 494
ASN A 860
 SO4  A 990 (-2.9A)
SO4  A 990 (-3.8A)
None
 0.92A 5jwaA-2wjvA:
undetectable
5jwaH-2wjvA:
undetectable		 5jwaA-2wjvA:
22.44
5jwaH-2wjvA:
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.
2y3c TREPONEMA DENTICOLA
VARIABLE PROTEIN 1

(Treponema
denticola) 		PF03781
(FGE-sulfatase) 		3 ARG A 317
PRO A 115
ASN A 113
 None
 0.97A 5jwaA-2y3cA:
undetectable
5jwaH-2y3cA:
undetectable		 5jwaA-2y3cA:
20.49
5jwaH-2y3cA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z37 CHITINASE

(Brassica juncea) 		PF00182
(Glyco_hydro_19) 		3 ARG A 353
PRO A 387
ASN A 389
 None
 1.03A 5jwaA-2z37A:
undetectable
5jwaH-2z37A:
undetectable		 5jwaA-2z37A:
18.58
5jwaH-2z37A:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bcq ALPHA-CHAIN
HEMOGLOBIN
BETA-CHAIN
HEMOGLOBIN

(Brycon
cephalus;
Brycon cephalus) 		PF00042
(Globin)
PF00042
(Globin) 		3 ARG B  30
PRO A 120
ASN B  55
 None
 1.09A 5jwaA-3bcqB:
undetectable
5jwaH-3bcqB:
undetectable		 5jwaA-3bcqB:
14.48
5jwaH-3bcqB:
14.48
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.
3ble CITRAMALATE SYNTHASE
FROM LEPTOSPIRA
INTERROGANS

(Leptospira
interrogans) 		PF00682
(HMGL-like) 		3 ARG A 287
PRO A 245
ASN A 210
 None
 1.06A 5jwaA-3bleA:
undetectable
5jwaH-3bleA:
undetectable		 5jwaA-3bleA:
22.46
5jwaH-3bleA:
22.46
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.
3blw ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF00180
(Iso_dh) 		3 ARG A  37
PRO A  24
ASN A  53
 None
 1.05A 5jwaA-3blwA:
2.6
5jwaH-3blwA:
undetectable		 5jwaA-3blwA:
21.01
5jwaH-3blwA:
21.01
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.
3brz TODX

(Pseudomonas
putida) 		PF03349
(Toluene_X) 		3 ARG A 329
PRO A 327
ASN A 181
 None
 0.87A 5jwaA-3brzA:
undetectable
5jwaH-3brzA:
undetectable		 5jwaA-3brzA:
20.70
5jwaH-3brzA:
20.70
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.
3cob KINESIN HEAVY
CHAIN-LIKE PROTEIN

(Solanum
tuberosum) 		PF00225
(Kinesin) 		3 ARG A 897
PRO A1189
ASN A 910
 None
 0.99A 5jwaA-3cobA:
undetectable
5jwaH-3cobA:
undetectable		 5jwaA-3cobA:
21.69
5jwaH-3cobA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE

(Homo sapiens) 		PF02898
(NO_synthase) 		3 ARG A 203
PRO A 458
ASN A 482
 None
 1.05A 5jwaA-3e7gA:
undetectable
5jwaH-3e7gA:
undetectable		 5jwaA-3e7gA:
21.38
5jwaH-3e7gA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fht ATP-DEPENDENT RNA
HELICASE DDX19B

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		3 ARG A 454
PRO A 418
ASN A 420
 None
 0.97A 5jwaA-3fhtA:
undetectable
5jwaH-3fhtA:
undetectable		 5jwaA-3fhtA:
21.12
5jwaH-3fhtA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hri HISTIDYL-TRNA
SYNTHETASE

(Trypanosoma
brucei) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		3 ARG A 123
PRO A 151
ASN A 171
 None
 1.07A 5jwaA-3hriA:
undetectable
5jwaH-3hriA:
undetectable		 5jwaA-3hriA:
22.11
5jwaH-3hriA:
22.11
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.
3jcc T-CELL SURFACE
GLYCOPROTEIN CD4

(Homo sapiens) 		PF00047
(ig)
PF05790
(C2-set) 		3 ARG D  58
PRO D  68
ASN D  66
 None
 0.98A 5jwaA-3jccD:
undetectable
5jwaH-3jccD:
undetectable		 5jwaA-3jccD:
16.46
5jwaH-3jccD:
16.46
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.
3k9t PUTATIVE PEPTIDASE

(Clostridium
acetobutylicum) 		PF09940
(DUF2172)
PF16221
(HTH_47)
PF16254
(DUF4910) 		3 ARG A 372
PRO A 367
ASN A 360
 None
 0.91A 5jwaA-3k9tA:
undetectable
5jwaH-3k9tA:
2.0		 5jwaA-3k9tA:
21.68
5jwaH-3k9tA:
21.68
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.
3ksy SON OF SEVENLESS
HOMOLOG 1

(Homo sapiens) 		PF00125
(Histone)
PF00169
(PH)
PF00617
(RasGEF)
PF00618
(RasGEF_N)
PF00621
(RhoGEF) 		3 ARG A 706
PRO A 819
ASN A 820
 None
 1.00A 5jwaA-3ksyA:
undetectable
5jwaH-3ksyA:
undetectable		 5jwaA-3ksyA:
19.26
5jwaH-3ksyA:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mkh NITROALKANE OXIDASE

(Podospora
anserina) 		PF00441
(Acyl-CoA_dh_1)
PF02771
(Acyl-CoA_dh_N) 		3 ARG A 218
PRO A 251
ASN A 254
 None
 1.06A 5jwaA-3mkhA:
undetectable
5jwaH-3mkhA:
undetectable		 5jwaA-3mkhA:
19.81
5jwaH-3mkhA:
19.81
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.
3odw RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		3 ARG A 514
PRO A 462
ASN A 459
 None
 0.99A 5jwaA-3odwA:
undetectable
5jwaH-3odwA:
undetectable		 5jwaA-3odwA:
20.66
5jwaH-3odwA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3odx RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 1

(Homo sapiens) 		PF00621
(RhoGEF) 		3 ARG A 514
PRO A 462
ASN A 459
 None
 1.01A 5jwaA-3odxA:
undetectable
5jwaH-3odxA:
undetectable		 5jwaA-3odxA:
18.59
5jwaH-3odxA:
18.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p1v METALLO-ENDOPEPTIDAS
E

(Bacteroides
ovatus) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		3 ARG A  60
PRO A  68
ASN A 293
 None
 1.02A 5jwaA-3p1vA:
undetectable
5jwaH-3p1vA:
undetectable		 5jwaA-3p1vA:
20.97
5jwaH-3p1vA:
20.97
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.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis) 		PF08543
(Phos_pyr_kin) 		3 ARG A  26
PRO A  34
ASN A  36
 None
 1.02A 5jwaA-3pzsA:
3.3
5jwaH-3pzsA:
undetectable		 5jwaA-3pzsA:
19.49
5jwaH-3pzsA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sn0 PUTATIVE
L-ALANINE-DL-GLUTAMA
TE EPIMERASE

(Paraburkholderia
xenovorans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ARG A 370
PRO A 368
ASN A 329
 None
 1.07A 5jwaA-3sn0A:
undetectable
5jwaH-3sn0A:
undetectable		 5jwaA-3sn0A:
19.89
5jwaH-3sn0A:
19.89
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.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		3 ARG A  33
PRO A 258
ASN A 254
 None
 0.95A 5jwaA-3tp9A:
undetectable
5jwaH-3tp9A:
undetectable		 5jwaA-3tp9A:
19.57
5jwaH-3tp9A:
19.57
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.
3v9e LACCASE

(Botrytis aclada) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		3 ARG A 461
PRO A 341
ASN A 253
 None
 1.03A 5jwaA-3v9eA:
undetectable
5jwaH-3v9eA:
undetectable		 5jwaA-3v9eA:
21.95
5jwaH-3v9eA:
21.95
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.
3voc BETA/ALPHA-AMYLASE

(Paenibacillus
polymyxa) 		PF01373
(Glyco_hydro_14) 		3 ARG A 165
PRO A 160
ASN A 118
 None
 0.82A 5jwaA-3vocA:
undetectable
5jwaH-3vocA:
undetectable		 5jwaA-3vocA:
21.65
5jwaH-3vocA:
21.65
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.
3vwx GLUTATHIONE
S-TRANSFERASE 6B

(Musca domestica) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		3 ARG A 122
PRO A 118
ASN A 114
 None
 1.07A 5jwaA-3vwxA:
undetectable
5jwaH-3vwxA:
undetectable		 5jwaA-3vwxA:
19.54
5jwaH-3vwxA:
19.54
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		3 ARG B 422
PRO B 421
ASN B 113
 FCO  B 500 (-4.2A)
FCO  B 500 ( 3.6A)
H2S  B 503 (-4.1A)
 0.93A 5jwaA-3ze7B:
undetectable
5jwaH-3ze7B:
undetectable		 5jwaA-3ze7B:
22.80
5jwaH-3ze7B:
22.80
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.
4a0h ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3)
PF13500
(AAA_26) 		3 ARG A 796
PRO A   7
ASN A 347
 None
 0.97A 5jwaA-4a0hA:
undetectable
5jwaH-4a0hA:
undetectable		 5jwaA-4a0hA:
20.74
5jwaH-4a0hA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aqq L2 PROTEIN III
(PENTON BASE)

(Human
mastadenovirus
B) 		PF01686
(Adeno_Penton_B) 		3 ARG A 222
PRO A 481
ASN A 194
 None
 1.09A 5jwaA-4aqqA:
undetectable
5jwaH-4aqqA:
undetectable		 5jwaA-4aqqA:
21.71
5jwaH-4aqqA:
21.71
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.
4c90 ALPHA-GLUCURONIDASE
GH115

(Bacteroides
ovatus) 		PF15979
(Glyco_hydro_115) 		3 ARG A 200
PRO A 195
ASN A 124
 None
 0.93A 5jwaA-4c90A:
undetectable
5jwaH-4c90A:
undetectable		 5jwaA-4c90A:
20.00
5jwaH-4c90A:
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.
4df9 PUTATIVE PEPTIDASE

(Bacteroides
fragilis) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		3 ARG A  60
PRO A  68
ASN A 293
 None
 1.08A 5jwaA-4df9A:
2.4
5jwaH-4df9A:
2.4		 5jwaA-4df9A:
22.47
5jwaH-4df9A:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		3 ARG A 828
PRO A 705
ASN A 707
 FAD  A1101 (-3.9A)
None
None
 1.10A 5jwaA-4dqkA:
3.8
5jwaH-4dqkA:
undetectable		 5jwaA-4dqkA:
22.20
5jwaH-4dqkA:
22.20
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.
4fe2 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Streptococcus
pneumoniae) 		PF01259
(SAICAR_synt) 		3 ARG A 155
PRO A 115
ASN A  94
 None
144  A 308 ( 4.9A)
144  A 308 (-4.8A)
 1.02A 5jwaA-4fe2A:
undetectable
5jwaH-4fe2A:
undetectable		 5jwaA-4fe2A:
21.67
5jwaH-4fe2A:
21.67
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.
4j34 KYNURENINE
3-MONOOXYGENASE

(Saccharomyces
cerevisiae) 		PF01494
(FAD_binding_3) 		3 ARG A  34
PRO A  37
ASN A 114
 FAD  A 401 (-4.0A)
None
None
 1.02A 5jwaA-4j34A:
11.9
5jwaH-4j34A:
10.6		 5jwaA-4j34A:
20.71
5jwaH-4j34A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ljs PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		3 ARG A 299
PRO A 328
ASN A 329
 None
 1.04A 5jwaA-4ljsA:
3.7
5jwaH-4ljsA:
3.1		 5jwaA-4ljsA:
20.95
5jwaH-4ljsA:
20.95
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.
4miv N-SULPHOGLUCOSAMINE
SULPHOHYDROLASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		3 ARG A 435
PRO A 483
ASN A 500
 None
 0.89A 5jwaA-4mivA:
undetectable
5jwaH-4mivA:
undetectable		 5jwaA-4mivA:
19.80
5jwaH-4mivA:
19.80
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.
4myw ENVELOPE
GLYCOPROTEIN D

(Human
alphaherpesvirus
2) 		PF01537
(Herpes_glycop_D) 		3 ARG A  36
PRO A 225
ASN A 148
 None
 1.06A 5jwaA-4mywA:
undetectable
5jwaH-4mywA:
undetectable		 5jwaA-4mywA:
18.66
5jwaH-4mywA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p7c TRNA
(MO5U34)-METHYLTRANS
FERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF08003
(Methyltransf_9) 		3 ARG A 103
PRO A  90
ASN A  92
 BTB  A 401 (-3.3A)
BTB  A 401 (-4.6A)
BTB  A 401 (-3.1A)
 1.02A 5jwaA-4p7cA:
2.0
5jwaH-4p7cA:
2.4		 5jwaA-4p7cA:
19.18
5jwaH-4p7cA:
19.18
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.
4qeo HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH4

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		3 ARG A 419
PRO A 406
ASN A 437
 None
 1.04A 5jwaA-4qeoA:
undetectable
5jwaH-4qeoA:
undetectable		 5jwaA-4qeoA:
21.27
5jwaH-4qeoA:
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.
4qko PYOCIN-S2 IMMUNITY
PROTEIN
PYOCIN-S2

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		PF01320
(Colicin_Pyocin)
no annotation 		3 ARG A  61
PRO A  57
ASN B 626
 None
 1.03A 5jwaA-4qkoA:
undetectable
5jwaH-4qkoA:
undetectable		 5jwaA-4qkoA:
11.90
5jwaH-4qkoA:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rr5 MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Synechocystis
sp. PCC 6803) 		PF00698
(Acyl_transf_1) 		3 ARG A 243
PRO A 221
ASN A 250
 None
 0.97A 5jwaA-4rr5A:
undetectable
5jwaH-4rr5A:
undetectable		 5jwaA-4rr5A:
18.16
5jwaH-4rr5A:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 ARG A 195
PRO A 194
ASN A 703
 None
 1.08A 5jwaA-4rvwA:
undetectable
5jwaH-4rvwA:
undetectable		 5jwaA-4rvwA:
20.95
5jwaH-4rvwA:
20.95
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.
4uy9 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		3 ARG A 393
PRO A 318
ASN A 364
 None
 1.06A 5jwaA-4uy9A:
undetectable
5jwaH-4uy9A:
undetectable		 5jwaA-4uy9A:
20.12
5jwaH-4uy9A:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wd1 ACETOACETATE-COA
LIGASE

(Streptomyces
lividans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		3 ARG A 188
PRO A 279
ASN A 637
 EDO  A 717 (-3.8A)
None
None
 0.97A 5jwaA-4wd1A:
undetectable
5jwaH-4wd1A:
undetectable		 5jwaA-4wd1A:
19.97
5jwaH-4wd1A:
19.97
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.
4x2h PUTATIVE MRNA EXPORT
PROTEIN
SER-SER-VAL-PHE-GLY-
ALA-PRO-ALA

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		no annotation
no annotation 		3 ARG A 542
PRO A 491
ASN C  17
 None
 1.06A 5jwaA-4x2hA:
undetectable
5jwaH-4x2hA:
undetectable		 5jwaA-4x2hA:
20.30
5jwaH-4x2hA:
20.30
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.
4xy3 ESX-1
SECRETION-ASSOCIATED
PROTEIN ESPB

(Mycobacterium
tuberculosis) 		no annotation 3 ARG A 121
PRO A 272
ASN A 274
 None
 0.96A 5jwaA-4xy3A:
undetectable
5jwaH-4xy3A:
undetectable		 5jwaA-4xy3A:
21.39
5jwaH-4xy3A:
21.39
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.
4y4v CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF03734
(YkuD) 		3 ARG A 168
PRO A 163
ASN A 165
 None
 1.03A 5jwaA-4y4vA:
undetectable
5jwaH-4y4vA:
undetectable		 5jwaA-4y4vA:
22.58
5jwaH-4y4vA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		3 ARG A 191
PRO A 639
ASN A 565
 None
 0.96A 5jwaA-4yj1A:
undetectable
5jwaH-4yj1A:
undetectable		 5jwaA-4yj1A:
20.69
5jwaH-4yj1A:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zch TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13,TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13B,TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
13B

(Homo sapiens) 		PF00229
(TNF) 		3 ARG A  98
PRO A  93
ASN A 101
 None
 1.06A 5jwaA-4zchA:
undetectable
5jwaH-4zchA:
undetectable		 5jwaA-4zchA:
22.46
5jwaH-4zchA:
22.46
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.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		3 ARG A 829
PRO A 651
ASN A1003
 ADP  A1102 ( 4.6A)
None
None
 0.93A 5jwaA-5eawA:
undetectable
5jwaH-5eawA:
undetectable		 5jwaA-5eawA:
18.83
5jwaH-5eawA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f6j ENVELOPE
GLYCOPROTEIN GP120
OF HIV-1 CLADE C

(Human
immunodeficiency
virus 1) 		no annotation 3 ARG G 379
PRO G 212
ASN G 262
 None
 0.86A 5jwaA-5f6jG:
undetectable
5jwaH-5f6jG:
undetectable		 5jwaA-5f6jG:
21.90
5jwaH-5f6jG:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gad SIGNAL RECOGNITION
PARTICLE RECEPTOR
FTSY

(Escherichia
coli) 		PF00238
(Ribosomal_L14) 		3 ARG l 374
PRO l 350
ASN l 348
 None
 1.05A 5jwaA-5gadl:
undetectable
5jwaH-5gadl:
undetectable		 5jwaA-5gadl:
21.51
5jwaH-5gadl:
21.51
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.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 3 ARG A 491
PRO A 466
ASN A 442
 None
 1.05A 5jwaA-5gqfA:
undetectable
5jwaH-5gqfA:
undetectable		 5jwaA-5gqfA:
21.93
5jwaH-5gqfA:
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.
5ip7 DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC1

(Saccharomyces
cerevisiae) 		PF01191
(RNA_pol_Rpb5_C)
PF03871
(RNA_pol_Rpb5_N) 		3 ARG E  55
PRO E  53
ASN E   5
 None
 1.09A 5jwaA-5ip7E:
undetectable
5jwaH-5ip7E:
undetectable		 5jwaA-5ip7E:
18.27
5jwaH-5ip7E:
18.27
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.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		3 ARG A 730
PRO A 567
ASN A 565
 None
 1.04A 5jwaA-5mqmA:
undetectable
5jwaH-5mqmA:
undetectable		 5jwaA-5mqmA:
18.17
5jwaH-5mqmA:
18.17
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.
5nmw FLAVIN-CONTAINING
MONOOXYGENASE

(Zonocerus
variegatus) 		no annotation 3 ARG A 335
PRO A 283
ASN A 290
 None
 1.07A 5jwaA-5nmwA:
10.1
5jwaH-5nmwA:
10.0		 5jwaA-5nmwA:
undetectable
5jwaH-5nmwA:
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.
5ocs PUTATIVE
NADH-DEPENTDENT
FLAVIN
OXIDOREDUCTASE

(Cupriavidus
metallidurans) 		PF00724
(Oxidored_FMN) 		3 ARG A  18
PRO A   2
ASN A 316
 None
 0.97A 5jwaA-5ocsA:
undetectable
5jwaH-5ocsA:
undetectable		 5jwaA-5ocsA:
19.56
5jwaH-5ocsA:
19.56
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.
5opt 40S RIBOSOMAL
PROTEIN S3A-2

(Trypanosoma
cruzi) 		no annotation 3 ARG W  41
PRO W 238
ASN W  97
 None
 0.99A 5jwaA-5optW:
undetectable
5jwaH-5optW:
undetectable		 5jwaA-5optW:
19.48
5jwaH-5optW:
19.48
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		3 ARG A 372
PRO A 600
ASN A 195
 None
 1.02A 5jwaA-5t0lA:
undetectable
5jwaH-5t0lA:
2.1		 5jwaA-5t0lA:
21.39
5jwaH-5t0lA:
21.39
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.
5trw PYRIDOXAL KINASE
PDXY

(Paraburkholderia
xenovorans) 		PF08543
(Phos_pyr_kin) 		3 ARG A  27
PRO A  35
ASN A  37
 CL  A 404 (-4.5A)
None
None
 1.02A 5jwaA-5trwA:
3.2
5jwaH-5trwA:
3.1		 5jwaA-5trwA:
18.01
5jwaH-5trwA:
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.
5txe ATXE2

(Asticcacaulis
excentricus) 		PF00326
(Peptidase_S9) 		3 ARG A 646
PRO A 643
ASN A  84
 None
 1.04A 5jwaA-5txeA:
undetectable
5jwaH-5txeA:
undetectable		 5jwaA-5txeA:
19.62
5jwaH-5txeA:
19.62
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.
5udh E3 UBIQUITIN-PROTEIN
LIGASE ARIH1

(Homo sapiens) 		PF01485
(IBR) 		3 ARG A 271
PRO A 290
ASN A 306
 None
 0.96A 5jwaA-5udhA:
undetectable
5jwaH-5udhA:
undetectable		 5jwaA-5udhA:
21.21
5jwaH-5udhA:
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.
5v33 REACTION CENTER
PROTEIN H CHAIN

(Rhodobacter
sphaeroides) 		PF03967
(PRCH)
PF05239
(PRC) 		3 ARG H  70
PRO H 121
ASN H 129
 None
 0.93A 5jwaA-5v33H:
undetectable
5jwaH-5v33H:
undetectable		 5jwaA-5v33H:
17.59
5jwaH-5v33H:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v76 MICROCOMPARTMENTS
PROTEIN

(Haliangium
ochraceum) 		no annotation 3 ARG A   4
PRO A 145
ASN A 204
 None
 0.98A 5jwaA-5v76A:
undetectable
5jwaH-5v76A:
undetectable		 5jwaA-5v76A:
16.89
5jwaH-5v76A:
16.89
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.
5vbn DNA POLYMERASE
EPSILON SUBUNIT 2

(Homo sapiens) 		PF04042
(DNA_pol_E_B)
PF12213
(Dpoe2NT) 		3 ARG A 404
PRO A  95
ASN A 259
 None
 1.07A 5jwaA-5vbnA:
undetectable
5jwaH-5vbnA:
undetectable		 5jwaA-5vbnA:
21.53
5jwaH-5vbnA:
21.53
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.
5wwp ORF1AB

(Middle East
respiratory
syndrome-related
coronavirus) 		no annotation 3 ARG B 443
PRO B 284
ASN B 562
 SO4  B 604 (-3.4A)
SO4  B 604 (-4.5A)
None
 0.99A 5jwaA-5wwpB:
undetectable
5jwaH-5wwpB:
undetectable		 5jwaA-5wwpB:
21.68
5jwaH-5wwpB:
21.68
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.
6az1 RIBOSOMAL PROTEIN
S1E

(Leishmania
donovani) 		no annotation 3 ARG A  41
PRO A 238
ASN A  97
 None
 1.02A 5jwaA-6az1A:
undetectable
5jwaH-6az1A:
undetectable		 5jwaA-6az1A:
19.19
5jwaH-6az1A:
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.
6b0k IOTA-CARRAGEENAN
SULFATASE

(Pseudoalteromonas) 		no annotation 3 ARG A 398
PRO A 338
ASN A 376
 None
 0.93A 5jwaA-6b0kA:
undetectable
5jwaH-6b0kA:
undetectable		 5jwaA-6b0kA:
undetectable
5jwaH-6b0kA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 3 ARG A1545
PRO A 858
ASN A1585
 None
 1.05A 5jwaA-6emkA:
undetectable
5jwaH-6emkA:
undetectable		 5jwaA-6emkA:
undetectable
5jwaH-6emkA:
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.
6fae IQ MOTIF AND SEC7
DOMAIN-CONTAINING
PROTEIN 2
ADP-RIBOSYLATION
FACTOR 1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		3 ARG A 494
PRO B  47
ASN B  52
 None
 1.07A 5jwaA-6faeA:
undetectable
5jwaH-6faeA:
undetectable		 5jwaA-6faeA:
undetectable
5jwaH-6faeA:
undetectable