SIMILAR PATTERNS OF AMINO ACIDS FOR 5JWA_A_ACTA612

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.
1aux SYNAPSIN IA

(Bos taurus) 		PF02078
(Synapsin)
PF02750
(Synapsin_C) 		3 LYS A 403
ASP A 402
ARG A 186
 None
 1.08A 5jwaA-1auxA:
2.5
5jwaH-1auxA:
3.3		 5jwaA-1auxA:
20.42
5jwaH-1auxA:
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.
1bco BACTERIOPHAGE MU
TRANSPOSASE

(Escherichia
virus Mu) 		PF02914
(DDE_2)
PF09299
(Mu-transpos_C) 		3 LYS A 364
ASP A 362
ARG A 315
 None
 1.04A 5jwaA-1bcoA:
0.3
5jwaH-1bcoA:
0.4		 5jwaA-1bcoA:
20.11
5jwaH-1bcoA:
20.11
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.
1d7m CORTEXILLIN I

(Dictyostelium
discoideum) 		PF09304
(Cortex-I_coil) 		3 LYS A 320
ASP A 324
ARG A 317
 None
 1.09A 5jwaA-1d7mA:
undetectable
5jwaH-1d7mA:
undetectable		 5jwaA-1d7mA:
12.16
5jwaH-1d7mA:
12.16
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.
1ems NIT-FRAGILE
HISTIDINE TRIAD
FUSION PROTEIN

(Caenorhabditis
elegans) 		PF00795
(CN_hydrolase)
PF01230
(HIT) 		3 LYS A 382
ASP A 383
ARG A 342
 None
 0.80A 5jwaA-1emsA:
0.7
5jwaH-1emsA:
0.5		 5jwaA-1emsA:
20.48
5jwaH-1emsA:
20.48
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.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		3 LYS B 196
ASP B 195
ARG B 171
 None
 1.06A 5jwaA-1gl9B:
0.0
5jwaH-1gl9B:
0.0		 5jwaA-1gl9B:
19.64
5jwaH-1gl9B:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mcv HEI-TOE I

(-) 		PF00299
(Squash) 		3 LYS I  10
ASP I  14
ARG I   8
 None
 1.01A 5jwaA-1mcvI:
undetectable
5jwaH-1mcvI:
undetectable		 5jwaA-1mcvI:
3.67
5jwaH-1mcvI:
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.
1no4 HEAD MORPHOGENESIS
PROTEIN

(Bacillus virus
phi29) 		PF11418
(Scaffolding_pro) 		3 LYS A  14
ASP A  17
ARG A  25
 None
 1.07A 5jwaA-1no4A:
undetectable
5jwaH-1no4A:
undetectable		 5jwaA-1no4A:
11.69
5jwaH-1no4A:
11.69
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.
1ox4 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
HISHF

(Saccharomyces
cerevisiae) 		PF00117
(GATase)
PF00977
(His_biosynth) 		3 LYS B  35
ASP B  36
ARG B  63
 None
 1.06A 5jwaA-1ox4B:
2.0
5jwaH-1ox4B:
undetectable		 5jwaA-1ox4B:
23.39
5jwaH-1ox4B:
23.39
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.
1poq YPM

(Yersinia
pseudotuberculosis) 		PF09144
(YpM) 		3 LYS A  37
ASP A 118
ARG A  14
 None
 0.77A 5jwaA-1poqA:
undetectable
5jwaH-1poqA:
undetectable		 5jwaA-1poqA:
12.74
5jwaH-1poqA:
12.74
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.
1qjs HEMOPEXIN

(Oryctolagus
cuniculus) 		PF00045
(Hemopexin) 		3 LYS A  48
ASP A  49
ARG A  60
 None
 0.92A 5jwaA-1qjsA:
undetectable
5jwaH-1qjsA:
undetectable		 5jwaA-1qjsA:
19.89
5jwaH-1qjsA:
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.
1udq RIBONUCLEASE PH

(Aquifex
aeolicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 LYS A  34
ASP A 122
ARG A   6
 None
 1.10A 5jwaA-1udqA:
undetectable
5jwaH-1udqA:
undetectable		 5jwaA-1udqA:
18.52
5jwaH-1udqA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uf3 HYPOTHETICAL PROTEIN
TT1561

(Thermus
thermophilus) 		PF14582
(Metallophos_3) 		3 LYS A 221
ASP A 216
ARG A 220
 None
 1.08A 5jwaA-1uf3A:
undetectable
5jwaH-1uf3A:
undetectable		 5jwaA-1uf3A:
16.18
5jwaH-1uf3A:
16.18
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.
1vkz PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermotoga
maritima) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		3 LYS A 206
ASP A 204
ARG A 362
 None
 0.97A 5jwaA-1vkzA:
3.5
5jwaH-1vkzA:
3.8		 5jwaA-1vkzA:
21.98
5jwaH-1vkzA:
21.98
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.
1wmw GERANYLGERANYL
DIPHOSPHATE
SYNTHETASE

(Thermus
thermophilus) 		PF00348
(polyprenyl_synt) 		3 LYS A 235
ASP A 230
ARG A 263
 None
 0.54A 5jwaA-1wmwA:
undetectable
5jwaH-1wmwA:
undetectable		 5jwaA-1wmwA:
18.06
5jwaH-1wmwA:
18.06
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.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		3 LYS A 221
ASP A 180
ARG A  33
 None
 0.80A 5jwaA-1wn1A:
undetectable
5jwaH-1wn1A:
undetectable		 5jwaA-1wn1A:
21.77
5jwaH-1wn1A:
21.77
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.
1ygg PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Actinobacillus
succinogenes) 		PF01293
(PEPCK_ATP) 		3 LYS A 239
ASP A 240
ARG A 263
 None
 1.00A 5jwaA-1yggA:
undetectable
5jwaH-1yggA:
undetectable		 5jwaA-1yggA:
24.80
5jwaH-1yggA:
24.80
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.
1zi7 KES1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01237
(Oxysterol_BP) 		3 LYS A 190
ASP A 191
ARG A  81
 None
 0.73A 5jwaA-1zi7A:
undetectable
5jwaH-1zi7A:
undetectable		 5jwaA-1zi7A:
22.20
5jwaH-1zi7A:
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.
1zjc AMINOPEPTIDASE AMPS

(Staphylococcus
aureus) 		PF02073
(Peptidase_M29) 		3 LYS A 170
ASP A 173
ARG A 332
 None
 0.89A 5jwaA-1zjcA:
undetectable
5jwaH-1zjcA:
undetectable		 5jwaA-1zjcA:
21.09
5jwaH-1zjcA:
21.09
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.
2a6c HELIX-TURN-HELIX
MOTIF

(Nitrosomonas
europaea) 		PF13744
(HTH_37) 		3 LYS A  43
ASP A  45
ARG A  35
 None
 0.73A 5jwaA-2a6cA:
undetectable
5jwaH-2a6cA:
undetectable		 5jwaA-2a6cA:
8.70
5jwaH-2a6cA:
8.70
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.
2dw6 BLL6730 PROTEIN

(Bradyrhizobium
japonicum) 		PF13378
(MR_MLE_C) 		3 LYS A  78
ASP A  76
ARG A   4
 None
 0.74A 5jwaA-2dw6A:
undetectable
5jwaH-2dw6A:
undetectable		 5jwaA-2dw6A:
20.30
5jwaH-2dw6A:
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.
2ip4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermus
thermophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		3 LYS A   1
ASP A  63
ARG A  24
 None
 1.06A 5jwaA-2ip4A:
3.8
5jwaH-2ip4A:
4.0		 5jwaA-2ip4A:
18.53
5jwaH-2ip4A:
18.53
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.
2l69 ROSSMANN 2X3 FOLD
PROTEIN

(synthetic
construct) 		no annotation 3 LYS A  61
ASP A  60
ARG A  89
 None
 0.98A 5jwaA-2l69A:
undetectable
5jwaH-2l69A:
undetectable		 5jwaA-2l69A:
11.71
5jwaH-2l69A:
11.71
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.
2p4o HYPOTHETICAL PROTEIN

(Nostoc
punctiforme) 		no annotation 3 LYS A 200
ASP A 196
ARG A 175
 None
 1.06A 5jwaA-2p4oA:
undetectable
5jwaH-2p4oA:
undetectable		 5jwaA-2p4oA:
19.92
5jwaH-2p4oA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		3 LYS A1460
ASP A1461
ARG A1455
 None
 0.67A 5jwaA-2pffA:
4.6
5jwaH-2pffA:
4.5		 5jwaA-2pffA:
13.05
5jwaH-2pffA:
13.05
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.
2psy KALLIKREIN-5

(Homo sapiens) 		PF00089
(Trypsin) 		3 LYS A 116
ASP A 117
ARG A 113
 None
ZN  A2001 (-2.8A)
None
 0.75A 5jwaA-2psyA:
undetectable
5jwaH-2psyA:
undetectable		 5jwaA-2psyA:
15.78
5jwaH-2psyA:
15.78
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.
2r94 2-KETO-3-DEOXY-(6-PH
OSPHO-)GLUCONATE
ALDOLASE

(Thermoproteus
tenax) 		PF00701
(DHDPS) 		3 LYS A  21
ASP A  54
ARG A 193
 None
 0.97A 5jwaA-2r94A:
undetectable
5jwaH-2r94A:
undetectable		 5jwaA-2r94A:
18.29
5jwaH-2r94A:
18.29
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.
2x3c TOXIC EXTRACELLULAR
ENDOPEPTIDASE

(Aeromonas
salmonicida) 		PF14521
(Aspzincin_M35) 		3 LYS A  92
ASP A  93
ARG A  53
 None
 0.98A 5jwaA-2x3cA:
undetectable
5jwaH-2x3cA:
undetectable		 5jwaA-2x3cA:
19.25
5jwaH-2x3cA:
19.25
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.
2x75 ADENYLOSUCCINATE
LYASE

(Staphylococcus
aureus) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		3 LYS A 415
ASP A 413
ARG A 342
 None
 0.96A 5jwaA-2x75A:
undetectable
5jwaH-2x75A:
undetectable		 5jwaA-2x75A:
20.64
5jwaH-2x75A:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsj SULFITE REDUCTASE
ALPHA SUBUNIT
SULFITE REDUCTASE
BETA SUBUNIT

(Desulfomicrobium
norvegicum;
Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF12838
(Fer4_7) 		3 LYS A 278
ASP A 282
ARG B 337
 None
 0.77A 5jwaA-2xsjA:
undetectable
5jwaH-2xsjA:
undetectable		 5jwaA-2xsjA:
18.45
5jwaH-2xsjA:
18.45
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.
2yzw ADP-RIBOSYLGLYCOHYDR
OLASE

(Thermus
thermophilus) 		PF03747
(ADP_ribosyl_GH) 		3 LYS A  77
ASP A  75
ARG A 153
 None
 1.01A 5jwaA-2yzwA:
undetectable
5jwaH-2yzwA:
undetectable		 5jwaA-2yzwA:
16.70
5jwaH-2yzwA:
16.70
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.
2zu6 PROGRAMMED CELL
DEATH PROTEIN 4

(Homo sapiens) 		PF02847
(MA3) 		3 LYS B 311
ASP B 312
ARG B 267
 None
 1.05A 5jwaA-2zu6B:
undetectable
5jwaH-2zu6B:
undetectable		 5jwaA-2zu6B:
20.12
5jwaH-2zu6B:
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.
3b2d CD180 ANTIGEN

(Homo sapiens) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		3 LYS A 165
ASP A 192
ARG A 194
 None
 0.88A 5jwaA-3b2dA:
undetectable
5jwaH-3b2dA:
undetectable		 5jwaA-3b2dA:
23.24
5jwaH-3b2dA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b73 PHIH1 REPRESSOR-LIKE
PROTEIN

(Haloarcula
marismortui) 		no annotation 3 LYS A  48
ASP A  52
ARG A  46
 None
 0.98A 5jwaA-3b73A:
undetectable
5jwaH-3b73A:
undetectable		 5jwaA-3b73A:
11.13
5jwaH-3b73A:
11.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c6l TCR 2W20 ALPHA CHAIN
TCR 2W20 BETA CHAIN

(Mus musculus;
Mus musculus) 		PF07686
(V-set)
PF09291
(DUF1968)
PF07654
(C1-set)
PF07686
(V-set) 		3 LYS A 124
ASP A 125
ARG B 234
 None
 0.80A 5jwaA-3c6lA:
undetectable
5jwaH-3c6lA:
undetectable		 5jwaA-3c6lA:
15.65
5jwaH-3c6lA:
15.65
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.
3dto BH2835 PROTEIN

(Bacillus
halodurans) 		PF01966
(HD) 		3 LYS A 181
ASP A 182
ARG A 123
 None
 0.79A 5jwaA-3dtoA:
undetectable
5jwaH-3dtoA:
undetectable		 5jwaA-3dtoA:
18.61
5jwaH-3dtoA:
18.61
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.
3e38 TWO-DOMAIN PROTEIN
CONTAINING PREDICTED
PHP-LIKE
METAL-DEPENDENT
PHOSPHOESTERASE

(Bacteroides
vulgatus) 		PF16392
(DUF5001) 		3 LYS A 140
ASP A 141
ARG A 116
 None
 1.10A 5jwaA-3e38A:
undetectable
5jwaH-3e38A:
undetectable		 5jwaA-3e38A:
20.39
5jwaH-3e38A:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f4w PUTATIVE HEXULOSE 6
PHOSPHATE SYNTHASE

(Salmonella
enterica) 		PF00215
(OMPdecase) 		3 LYS A   1
ASP A  27
ARG A 161
 None
 0.88A 5jwaA-3f4wA:
undetectable
5jwaH-3f4wA:
undetectable		 5jwaA-3f4wA:
17.72
5jwaH-3f4wA:
17.72
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.
3g8r PROBABLE SPORE COAT
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
E

(Chromobacterium
violaceum) 		PF03102
(NeuB)
PF08666
(SAF) 		3 LYS A   5
ASP A  40
ARG A 196
 None
 0.99A 5jwaA-3g8rA:
undetectable
5jwaH-3g8rA:
undetectable		 5jwaA-3g8rA:
20.48
5jwaH-3g8rA:
20.48
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.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 LYS B 275
ASP B 157
ARG B 398
 None
 1.00A 5jwaA-3hhsB:
undetectable
5jwaH-3hhsB:
undetectable		 5jwaA-3hhsB:
21.52
5jwaH-3hhsB:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igh UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
horikoshii) 		PF07969
(Amidohydro_3) 		3 LYS X 403
ASP X 404
ARG X 434
 None
 1.01A 5jwaA-3ighX:
undetectable
5jwaH-3ighX:
undetectable		 5jwaA-3ighX:
22.38
5jwaH-3ighX:
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.
3ld8 BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6

(Homo sapiens) 		PF02373
(JmjC) 		3 LYS A  21
ASP A  25
ARG A  17
 None
 0.95A 5jwaA-3ld8A:
undetectable
5jwaH-3ld8A:
undetectable		 5jwaA-3ld8A:
19.49
5jwaH-3ld8A:
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.
3m7n PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Archaeoglobus
fulgidus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		3 LYS D  49
ASP D 133
ARG D  21
 None
 0.92A 5jwaA-3m7nD:
undetectable
5jwaH-3m7nD:
undetectable		 5jwaA-3m7nD:
19.85
5jwaH-3m7nD:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o0t SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PGAM5, MITOCHONDRIAL

(Homo sapiens) 		PF00300
(His_Phos_1) 		3 LYS A  -1
ASP A  90
ARG A 240
 EDO  A   5 ( 4.8A)
EDO  A   5 (-3.3A)
EDO  A   5 (-3.3A)
 0.90A 5jwaA-3o0tA:
undetectable
5jwaH-3o0tA:
undetectable		 5jwaA-3o0tA:
13.65
5jwaH-3o0tA:
13.65
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.
3qr1 PHOSPHOLIPASE C-BETA
(PLC-BETA)

(Doryteuthis
pealeii) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		3 LYS A 665
ASP A 664
ARG A 188
 None
 1.02A 5jwaA-3qr1A:
undetectable
5jwaH-3qr1A:
undetectable		 5jwaA-3qr1A:
21.03
5jwaH-3qr1A:
21.03
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.
3tgn ADC OPERON REPRESSOR
ADCR

(Streptococcus
pneumoniae) 		PF01047
(MarR) 		3 LYS A   6
ASP A   7
ARG A   2
 None
 1.09A 5jwaA-3tgnA:
undetectable
5jwaH-3tgnA:
undetectable		 5jwaA-3tgnA:
15.46
5jwaH-3tgnA:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tma METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01170
(UPF0020)
PF02926
(THUMP) 		3 LYS A  34
ASP A  31
ARG A  33
 None
 1.10A 5jwaA-3tmaA:
undetectable
5jwaH-3tmaA:
3.2		 5jwaA-3tmaA:
20.34
5jwaH-3tmaA:
20.34
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.
3u7v BETA-GALACTOSIDASE

(Caulobacter
vibrioides) 		PF02449
(Glyco_hydro_42) 		3 LYS A 147
ASP A 145
ARG A 151
 None
 1.09A 5jwaA-3u7vA:
undetectable
5jwaH-3u7vA:
undetectable		 5jwaA-3u7vA:
20.03
5jwaH-3u7vA:
20.03
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.
3ujq LEGUME LECTIN

(Lablab
purpureus) 		PF00139
(Lectin_legB) 		3 LYS A 124
ASP A 123
ARG A  70
 None
 0.96A 5jwaA-3ujqA:
undetectable
5jwaH-3ujqA:
undetectable		 5jwaA-3ujqA:
20.88
5jwaH-3ujqA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w36 NAPH1

(Streptomyces
sp. CNQ525) 		no annotation 3 LYS A  60
ASP A  61
ARG A 132
 None
 1.06A 5jwaA-3w36A:
undetectable
5jwaH-3w36A:
undetectable		 5jwaA-3w36A:
22.04
5jwaH-3w36A:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		3 LYS A 163
ASP A 164
ARG A  35
 None
 0.92A 5jwaA-3wiqA:
undetectable
5jwaH-3wiqA:
undetectable		 5jwaA-3wiqA:
22.27
5jwaH-3wiqA:
22.27
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.
3zdp NUCLEOCAPSID PROTEIN

(Influenza A
virus) 		PF00506
(Flu_NP) 		3 LYS A  90
ASP A  88
ARG A  74
 None
 1.07A 5jwaA-3zdpA:
undetectable
5jwaH-3zdpA:
undetectable		 5jwaA-3zdpA:
20.60
5jwaH-3zdpA:
20.60
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.
3zhc PHYTASE

(Citrobacter
braakii) 		PF00328
(His_Phos_2) 		3 LYS A 338
ASP A 345
ARG A 339
 None
 0.87A 5jwaA-3zhcA:
undetectable
5jwaH-3zhcA:
undetectable		 5jwaA-3zhcA:
21.09
5jwaH-3zhcA:
21.09
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.
3zzu ELONGATION FACTOR G

(Staphylococcus
aureus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		3 LYS A 606
ASP A 673
ARG A 629
 None
 1.02A 5jwaA-3zzuA:
undetectable
5jwaH-3zzuA:
undetectable		 5jwaA-3zzuA:
21.42
5jwaH-3zzuA:
21.42
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.
4a3t DNA MISMATCH REPAIR
PROTEIN HSM3

(Saccharomyces
cerevisiae) 		no annotation 3 LYS A  72
ASP A  74
ARG A  34
 None
 1.01A 5jwaA-4a3tA:
undetectable
5jwaH-4a3tA:
undetectable		 5jwaA-4a3tA:
23.56
5jwaH-4a3tA:
23.56
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.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		3 LYS A 117
ASP A 118
ARG A 153
 GOL  A1546 (-2.4A)
None
None
 0.80A 5jwaA-4aieA:
undetectable
5jwaH-4aieA:
undetectable		 5jwaA-4aieA:
22.59
5jwaH-4aieA:
22.59
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		3 LYS A 554
ASP A 550
ARG A 382
 None
 0.97A 5jwaA-4c30A:
undetectable
5jwaH-4c30A:
undetectable		 5jwaA-4c30A:
21.42
5jwaH-4c30A:
21.42
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.
4eae LMO1068 PROTEIN

(Listeria
monocytogenes) 		PF16781
(DUF5068) 		3 LYS A 193
ASP A 195
ARG A 265
 None
MLT  A 301 ( 4.9A)
None
 1.10A 5jwaA-4eaeA:
undetectable
5jwaH-4eaeA:
undetectable		 5jwaA-4eaeA:
19.02
5jwaH-4eaeA:
19.02
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.
4fdw LEUCINE RICH
HYPOTHETICAL PROTEIN

(Bacteroides
ovatus) 		PF07523
(Big_3)
PF13306
(LRR_5) 		3 LYS A 156
ASP A 178
ARG A 160
 None
CD  A 509 (-2.1A)
None
 1.02A 5jwaA-4fdwA:
undetectable
5jwaH-4fdwA:
undetectable		 5jwaA-4fdwA:
21.47
5jwaH-4fdwA:
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.
4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E

(Methylobacterium
extorquens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 LYS A 121
ASP A 124
ARG A 119
 None
 1.03A 5jwaA-4gi2A:
3.0
5jwaH-4gi2A:
2.8		 5jwaA-4gi2A:
19.75
5jwaH-4gi2A:
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.
4h18 CMT1

(Corynebacterium
glutamicum) 		PF00756
(Esterase) 		3 LYS A 141
ASP A 109
ARG A 233
 None
 1.09A 5jwaA-4h18A:
undetectable
5jwaH-4h18A:
undetectable		 5jwaA-4h18A:
19.02
5jwaH-4h18A:
19.02
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.
4hav RAN-SPECIFIC
GTPASE-ACTIVATING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00638
(Ran_BP1) 		3 LYS B  98
ASP B  99
ARG B  95
 None
 0.91A 5jwaA-4havB:
undetectable
5jwaH-4havB:
undetectable		 5jwaA-4havB:
13.59
5jwaH-4havB:
13.59
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.
4ict CYTOCHROME P450 121

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		3 LYS A 301
ASP A 291
ARG A  59
 None
 0.93A 5jwaA-4ictA:
undetectable
5jwaH-4ictA:
undetectable		 5jwaA-4ictA:
21.80
5jwaH-4ictA:
21.80
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.
4j57 THIOREDOXIN
REDUCTASE 2

(Plasmodium
falciparum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 LYS A 382
ASP A 383
ARG A 379
 None
 1.10A 5jwaA-4j57A:
22.5
5jwaH-4j57A:
22.6		 5jwaA-4j57A:
23.50
5jwaH-4j57A:
23.50
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.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		3 LYS A 302
ASP A 303
ARG A 437
 PGE  A 730 (-3.0A)
None
None
 1.00A 5jwaA-4jclA:
undetectable
5jwaH-4jclA:
undetectable		 5jwaA-4jclA:
21.04
5jwaH-4jclA:
21.04
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.
4mfi SN-GLYCEROL-3-PHOSPH
ATE ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN USPB

(Mycobacterium
tuberculosis) 		PF13416
(SBP_bac_8) 		3 LYS A 224
ASP A 223
ARG A 379
 None
 0.98A 5jwaA-4mfiA:
undetectable
5jwaH-4mfiA:
undetectable		 5jwaA-4mfiA:
20.75
5jwaH-4mfiA:
20.75
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.
4mnu SLYA-LIKE
TRANSCRIPTION
REGULATOR

(Listeria
monocytogenes) 		PF01047
(MarR) 		3 LYS A  49
ASP A  52
ARG A  38
 None
None
SO4  A 203 (-2.6A)
 0.95A 5jwaA-4mnuA:
undetectable
5jwaH-4mnuA:
undetectable		 5jwaA-4mnuA:
15.59
5jwaH-4mnuA:
15.59
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.
4muo UNCHARACTERIZED
PROTEIN YBIB

(Escherichia
coli) 		PF02885
(Glycos_trans_3N) 		3 LYS A 213
ASP A 217
ARG A 210
 None
 1.08A 5jwaA-4muoA:
3.1
5jwaH-4muoA:
3.1		 5jwaA-4muoA:
21.86
5jwaH-4muoA:
21.86
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.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		3 LYS A 435
ASP A 436
ARG A 373
 None
 0.85A 5jwaA-4nsxA:
undetectable
5jwaH-4nsxA:
undetectable		 5jwaA-4nsxA:
21.26
5jwaH-4nsxA:
21.26
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.
4nzp ARGININOSUCCINATE
SYNTHASE

(Campylobacter
jejuni) 		PF00764
(Arginosuc_synth) 		3 LYS A 215
ASP A 216
ARG A 261
 None
 0.81A 5jwaA-4nzpA:
undetectable
5jwaH-4nzpA:
2.8		 5jwaA-4nzpA:
22.45
5jwaH-4nzpA:
22.45
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.
4oyd COMPUTATIONALLY
DESIGNED INHIBITOR

(synthetic
construct) 		no annotation 3 LYS B  68
ASP B  72
ARG B  65
 None
 1.01A 5jwaA-4oydB:
undetectable
5jwaH-4oydB:
undetectable		 5jwaA-4oydB:
12.80
5jwaH-4oydB:
12.80
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.
4p2m ADENYLATE CYCLASE

(Mycobacterium
tuberculosis) 		PF00211
(Guanylate_cyc) 		3 LYS A 397
ASP A 398
ARG A 395
 None
 1.08A 5jwaA-4p2mA:
undetectable
5jwaH-4p2mA:
undetectable		 5jwaA-4p2mA:
15.90
5jwaH-4p2mA:
15.90
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.
4q3n MGS-M5

(unidentified) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		3 LYS A 215
ASP A 218
ARG A 152
 None
ACT  A 408 (-3.7A)
ACT  A 409 ( 4.8A)
 0.97A 5jwaA-4q3nA:
4.5
5jwaH-4q3nA:
5.1		 5jwaA-4q3nA:
18.60
5jwaH-4q3nA:
18.60
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.
4r0s PROTEIN TYROSINE
PHOSPHATASE TPBA

(Pseudomonas
aeruginosa) 		PF03162
(Y_phosphatase2) 		3 LYS A  83
ASP A  84
ARG A 138
 None
None
PO4  A 301 (-3.9A)
 1.02A 5jwaA-4r0sA:
undetectable
5jwaH-4r0sA:
undetectable		 5jwaA-4r0sA:
16.60
5jwaH-4r0sA:
16.60
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.
4r1k UNCHARACTERIZED
PROTEIN

([Eubacterium]
siraeum) 		PF17117
(DUF5104) 		3 LYS A  52
ASP A  55
ARG A  40
 None
 0.90A 5jwaA-4r1kA:
undetectable
5jwaH-4r1kA:
undetectable		 5jwaA-4r1kA:
14.85
5jwaH-4r1kA:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rco PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		3 LYS A 271
ASP A 301
ARG A 216
 None
 1.04A 5jwaA-4rcoA:
undetectable
5jwaH-4rcoA:
undetectable		 5jwaA-4rcoA:
20.11
5jwaH-4rcoA:
20.11
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.
4z9n AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Brucella ovis) 		PF00497
(SBP_bac_3) 		3 LYS A   2
ASP A   7
ARG A 211
 None
 1.01A 5jwaA-4z9nA:
undetectable
5jwaH-4z9nA:
undetectable		 5jwaA-4z9nA:
21.54
5jwaH-4z9nA:
21.54
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 5

(Homo sapiens) 		PF12862
(ANAPC5) 		3 LYS O 397
ASP O 400
ARG O 388
 None
 1.05A 5jwaA-5a31O:
undetectable
5jwaH-5a31O:
undetectable		 5jwaA-5a31O:
21.98
5jwaH-5a31O:
21.98
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.
5bv3 M7GPPPX
DIPHOSPHATASE

(Saccharomyces
cerevisiae) 		PF05652
(DcpS)
PF11969
(DcpS_C) 		3 LYS A 217
ASP A 221
ARG A 213
 None
 0.73A 5jwaA-5bv3A:
undetectable
5jwaH-5bv3A:
undetectable		 5jwaA-5bv3A:
19.89
5jwaH-5bv3A:
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.
5dwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		3 LYS C 150
ASP C  78
ARG C 184
 None
 0.63A 5jwaA-5dwzC:
undetectable
5jwaH-5dwzC:
undetectable		 5jwaA-5dwzC:
17.53
5jwaH-5dwzC:
17.53
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.
5ejk GAG-PRO-POL
POLYPROTEIN

(Rous sarcoma
virus) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		3 LYS A 164
ASP A 165
ARG A 158
 None
 1.06A 5jwaA-5ejkA:
undetectable
5jwaH-5ejkA:
undetectable		 5jwaA-5ejkA:
18.70
5jwaH-5ejkA:
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.
5ex8 CYTOCHROME P450

(Streptomyces
toyocaensis) 		PF00067
(p450) 		3 LYS A 281
ASP A 279
ARG A  16
 None
EDO  A 407 ( 3.5A)
None
 1.08A 5jwaA-5ex8A:
undetectable
5jwaH-5ex8A:
undetectable		 5jwaA-5ex8A:
21.77
5jwaH-5ex8A:
21.77
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.
5fgc ANTI-HCV E2 FAB
HC33.8 LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 LYS B 169
ASP B 167
ARG B  38
 None
 0.92A 5jwaA-5fgcB:
undetectable
5jwaH-5fgcB:
undetectable		 5jwaA-5fgcB:
17.02
5jwaH-5fgcB:
17.02
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.
5fmf RNA POLYMERASE II
PRE-INITIATION
COMPLEX, TFG1

(Saccharomyces
cerevisiae) 		PF05793
(TFIIF_alpha) 		3 LYS U 142
ASP U 143
ARG U 145
 None
 0.93A 5jwaA-5fmfU:
undetectable
5jwaH-5fmfU:
undetectable		 5jwaA-5fmfU:
13.94
5jwaH-5fmfU:
13.94
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.
5h6o PORPHOBILINOGEN
DEAMINASE

(Vibrio cholerae) 		no annotation 3 LYS A 121
ASP A 124
ARG A 190
 None
 0.83A 5jwaA-5h6oA:
undetectable
5jwaH-5h6oA:
undetectable		 5jwaA-5h6oA:
18.61
5jwaH-5h6oA:
18.61
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.
5hh3 OXYA PROTEIN

(Actinoplanes
teichomyceticus) 		PF00067
(p450) 		3 LYS A 281
ASP A 279
ARG A  16
 None
HEM  A 401 ( 4.7A)
None
 1.10A 5jwaA-5hh3A:
undetectable
5jwaH-5hh3A:
undetectable		 5jwaA-5hh3A:
18.79
5jwaH-5hh3A:
18.79
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.
5ij6 LIPOATE--PROTEIN
LIGASE

(Enterococcus
faecalis) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		3 LYS A  99
ASP A  97
ARG A 122
 None
 1.00A 5jwaA-5ij6A:
undetectable
5jwaH-5ij6A:
undetectable		 5jwaA-5ij6A:
22.74
5jwaH-5ij6A:
22.74
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.
5m42 PROLINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF01619
(Pro_dh) 		3 LYS A 171
ASP A 175
ARG A 168
 None
 0.94A 5jwaA-5m42A:
undetectable
5jwaH-5m42A:
2.1		 5jwaA-5m42A:
19.96
5jwaH-5m42A:
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.
5n5z RNA POLYMERASE
I-SPECIFIC
TRANSCRIPTION
INITIATION FACTOR
RRN3

(Saccharomyces
cerevisiae) 		PF05327
(RRN3) 		3 LYS O  65
ASP O  62
ARG O 106
 None
 1.02A 5jwaA-5n5zO:
undetectable
5jwaH-5n5zO:
undetectable		 5jwaA-5n5zO:
21.52
5jwaH-5n5zO:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ool 39S RIBOSOMAL
PROTEIN L37,
MITOCHONDRIAL

(Homo sapiens) 		PF07147
(PDCD9) 		3 LYS 5 233
ASP 5 234
ARG 5 201
 None
 0.70A 5jwaA-5ool5:
undetectable
5jwaH-5ool5:
undetectable		 5jwaA-5ool5:
19.44
5jwaH-5ool5:
19.44
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.
5tnv AP ENDONUCLEASE,
FAMILY PROTEIN 2

(Mycolicibacterium
smegmatis) 		PF01261
(AP_endonuc_2) 		3 LYS A  27
ASP A  28
ARG A  19
 None
 0.98A 5jwaA-5tnvA:
undetectable
5jwaH-5tnvA:
undetectable		 5jwaA-5tnvA:
21.58
5jwaH-5tnvA:
21.58
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.
5u22 N2152

(Neocallimastix
frontalis) 		PF01229
(Glyco_hydro_39) 		3 LYS A  64
ASP A  62
ARG A  98
 None
 1.06A 5jwaA-5u22A:
undetectable
5jwaH-5u22A:
undetectable		 5jwaA-5u22A:
22.49
5jwaH-5u22A:
22.49
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.
5vvr DNA REPAIR AND
RECOMBINATION
PROTEIN RAD26

(Saccharomyces
cerevisiae) 		no annotation 3 LYS M 239
ASP M 243
ARG M 230
 None
 0.99A 5jwaA-5vvrM:
undetectable
5jwaH-5vvrM:
undetectable		 5jwaA-5vvrM:
19.38
5jwaH-5vvrM:
19.38
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.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 3 LYS A 351
ASP A  44
ARG A 120
 None
GOL  A 801 (-3.0A)
GOL  A 801 (-3.6A)
 1.05A 5jwaA-5wabA:
undetectable
5jwaH-5wabA:
undetectable		 5jwaA-5wabA:
undetectable
5jwaH-5wabA:
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.
5wq8 TYPE II SECRETION
SYSTEM PROTEIN D

(Vibrio cholerae) 		PF00263
(Secretin)
PF03958
(Secretin_N) 		3 LYS A 251
ASP A 254
ARG A 317
 None
 1.10A 5jwaA-5wq8A:
undetectable
5jwaH-5wq8A:
undetectable		 5jwaA-5wq8A:
22.09
5jwaH-5wq8A:
22.09
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.
5x89 ENDA-LIKE
PROTEIN,TRNA-SPLICIN
G ENDONUCLEASE

(Methanopyrus
kandleri) 		no annotation 3 LYS A  14
ASP A  31
ARG A  63
 None
 0.68A 5jwaA-5x89A:
undetectable
5jwaH-5x89A:
undetectable		 5jwaA-5x89A:
undetectable
5jwaH-5x89A:
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.
5x9w DNA MISMATCH REPAIR
PROTEIN MUTS

(Neisseria
gonorrhoeae) 		no annotation 3 LYS A 414
ASP A 415
ARG A 357
 None
 0.67A 5jwaA-5x9wA:
undetectable
5jwaH-5x9wA:
undetectable		 5jwaA-5x9wA:
19.40
5jwaH-5x9wA:
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.
5ybb RESTRICTION
ENDONUCLEASE S
SUBUNITS

(Caldanaerobacter
subterraneus) 		no annotation 3 LYS D  51
ASP D  46
ARG D 124
 None
 1.02A 5jwaA-5ybbD:
undetectable
5jwaH-5ybbD:
undetectable		 5jwaA-5ybbD:
21.02
5jwaH-5ybbD:
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.
6az0 MITOCHONDRIAL INNER
MEMBRANE I-AAA
PROTEASE
SUPERCOMPLEX SUBUNIT
YME1

(Saccharomyces
cerevisiae) 		no annotation 3 LYS A 279
ASP A 282
ARG A 332
 None
None
ATP  A 801 ( 4.1A)
 0.92A 5jwaA-6az0A:
undetectable
5jwaH-6az0A:
undetectable		 5jwaA-6az0A:
20.75
5jwaH-6az0A:
20.75
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.
6az6 GNTR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptococcus
agalactiae) 		no annotation 3 LYS A 152
ASP A 160
ARG A 112
 None
 1.10A 5jwaA-6az6A:
undetectable
5jwaH-6az6A:
undetectable		 5jwaA-6az6A:
undetectable
5jwaH-6az6A:
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.
6bq6 THERMOSPERMINE
SYNTHASE

(Medicago
truncatula) 		no annotation 3 LYS A 100
ASP A 173
ARG A 279
 None
 0.63A 5jwaA-6bq6A:
3.5
5jwaH-6bq6A:
3.6		 5jwaA-6bq6A:
undetectable
5jwaH-6bq6A:
undetectable