SIMILAR PATTERNS OF AMINO ACIDS FOR 5L6E_B_ACTB401_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.
1abr ABRIN-A

(Abrus
precatorius) 		PF00161
(RIP) 		4 ARG A  27
LEU A  28
ARG A  29
ARG A  25
 None
 1.27A 5l6eA-1abrA:
undetectable
5l6eB-1abrA:
undetectable		 5l6eA-1abrA:
22.48
5l6eB-1abrA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b65 PROTEIN
(AMINOPEPTIDASE)

(Ochrobactrum
anthropi) 		PF03576
(Peptidase_S58) 		4 GLU A 362
ARG A 365
LEU A 364
ARG A 363
 None
 1.22A 5l6eA-1b65A:
undetectable
5l6eB-1b65A:
undetectable		 5l6eA-1b65A:
18.85
5l6eB-1b65A:
21.22
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.
1b9b PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Thermotoga
maritima) 		PF00121
(TIM) 		4 GLU A 130
ARG A 135
LEU A 132
ARG A 101
 None
 1.24A 5l6eA-1b9bA:
undetectable
5l6eB-1b9bA:
undetectable		 5l6eA-1b9bA:
23.46
5l6eB-1b9bA:
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.
1bft NUCLEAR FACTOR
NF-KAPPA-B P65

(Mus musculus) 		PF16179
(RHD_dimer) 		4 GLU A 225
ARG A 236
ARG A 274
ARG A 273
 None
 1.22A 5l6eA-1bftA:
undetectable
5l6eB-1bftA:
undetectable		 5l6eA-1bftA:
20.37
5l6eB-1bftA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dlc DELTA-ENDOTOXIN
CRYIIIA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 GLU A 174
ARG A 231
LEU A 235
ARG A 178
 None
 1.17A 5l6eA-1dlcA:
undetectable
5l6eB-1dlcA:
0.0		 5l6eA-1dlcA:
16.61
5l6eB-1dlcA:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 GLU A 175
ARG A 232
LEU A 236
ARG A 179
 None
 1.11A 5l6eA-1ji6A:
undetectable
5l6eB-1ji6A:
undetectable		 5l6eA-1ji6A:
16.93
5l6eB-1ji6A:
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.
1k3z TRANSCRIPTION FACTOR
P65

(Mus musculus) 		PF16179
(RHD_dimer) 		4 GLU A 225
ARG A 236
ARG A 274
ARG A 273
 None
 1.16A 5l6eA-1k3zA:
undetectable
5l6eB-1k3zA:
undetectable		 5l6eA-1k3zA:
20.69
5l6eB-1k3zA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kag SHIKIMATE KINASE I

(Escherichia
coli) 		PF01202
(SKI) 		4 ARG A  97
LEU A  94
ARG A  91
ARG A  93
 None
 1.24A 5l6eA-1kagA:
undetectable
5l6eB-1kagA:
0.0		 5l6eA-1kagA:
21.03
5l6eB-1kagA:
20.21
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.
1ko7 HPR
KINASE/PHOSPHATASE

(Staphylococcus
xylosus) 		PF02603
(Hpr_kinase_N)
PF07475
(Hpr_kinase_C) 		4 ARG A  78
LEU A  76
ARG A  74
ARG A  72
 None
 1.26A 5l6eA-1ko7A:
undetectable
5l6eB-1ko7A:
undetectable		 5l6eA-1ko7A:
22.71
5l6eB-1ko7A:
24.62
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.
1lc0 BILIVERDIN REDUCTASE
A

(Rattus
norvegicus) 		PF01408
(GFO_IDH_MocA)
PF09166
(Biliv-reduc_cat) 		4 GLU A 216
LEU A 149
ARG A 150
ARG A 171
 None
 1.00A 5l6eA-1lc0A:
undetectable
5l6eB-1lc0A:
undetectable		 5l6eA-1lc0A:
20.61
5l6eB-1lc0A:
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.
1my7 NF-KAPPAB P65 (RELA)
SUBUNIT

(Mus musculus) 		PF16179
(RHD_dimer) 		4 GLU A 225
ARG A 236
ARG A 274
ARG A 273
 None
 1.28A 5l6eA-1my7A:
undetectable
5l6eB-1my7A:
undetectable		 5l6eA-1my7A:
20.09
5l6eB-1my7A:
16.26
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 GLU A  29
LEU A  25
ARG A  31
ARG A 205
 None
 0.93A 5l6eA-1ofeA:
undetectable
5l6eB-1ofeA:
undetectable		 5l6eA-1ofeA:
9.67
5l6eB-1ofeA:
12.11
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.
1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Haemophilus
influenzae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 GLU A 360
ARG A  20
LEU A  17
ARG A 363
 None
 1.07A 5l6eA-1pquA:
undetectable
5l6eB-1pquA:
undetectable		 5l6eA-1pquA:
20.27
5l6eB-1pquA:
23.53
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.
1t4b ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Escherichia
coli) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 GLU A 357
ARG A  20
LEU A  17
ARG A 360
 None
 1.15A 5l6eA-1t4bA:
undetectable
5l6eB-1t4bA:
undetectable		 5l6eA-1t4bA:
21.62
5l6eB-1t4bA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ukf AVIRULENCE PROTEIN
AVRPPH3

(Pseudomonas
savastanoi) 		PF03543
(Peptidase_C58) 		4 GLU A 104
ARG A 134
LEU A 106
ARG A 117
 None
 1.05A 5l6eA-1ukfA:
undetectable
5l6eB-1ukfA:
undetectable		 5l6eA-1ukfA:
20.78
5l6eB-1ukfA:
19.24
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.
1ve1 O-ACETYLSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF00291
(PALP) 		4 GLU A 255
LEU A 252
ARG A 250
ARG A 251
 None
 1.29A 5l6eA-1ve1A:
1.5
5l6eB-1ve1A:
undetectable		 5l6eA-1ve1A:
23.55
5l6eB-1ve1A:
22.29
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.
1wmw GERANYLGERANYL
DIPHOSPHATE
SYNTHETASE

(Thermus
thermophilus) 		PF00348
(polyprenyl_synt) 		4 GLU A 245
ARG A 242
LEU A 238
ARG A 236
 None
 1.24A 5l6eA-1wmwA:
undetectable
5l6eB-1wmwA:
undetectable		 5l6eA-1wmwA:
21.30
5l6eB-1wmwA:
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.
1ws6 METHYLTRANSFERASE

(Thermus
thermophilus) 		PF03602
(Cons_hypoth95) 		4 GLU A  76
ARG A  50
LEU A  49
ARG A  56
 None
 1.16A 5l6eA-1ws6A:
2.5
5l6eB-1ws6A:
undetectable		 5l6eA-1ws6A:
20.80
5l6eB-1ws6A:
18.62
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.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		4 GLU A 274
ARG A 287
ARG A 273
ARG A 277
 None
 1.21A 5l6eA-1xhbA:
undetectable
5l6eB-1xhbA:
undetectable		 5l6eA-1xhbA:
18.14
5l6eB-1xhbA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yg2 GENE ACTIVATOR APHA

(Vibrio cholerae) 		PF03551
(PadR)
PF10400
(Vir_act_alpha_C) 		4 ARG A 151
LEU A 154
ARG A 156
ARG A 155
 None
 1.27A 5l6eA-1yg2A:
undetectable
5l6eB-1yg2A:
undetectable		 5l6eA-1yg2A:
21.65
5l6eB-1yg2A:
17.24
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.
2d7d UVRABC SYSTEM
PROTEIN B

(Bacillus
subtilis) 		PF00271
(Helicase_C)
PF02151
(UVR)
PF04851
(ResIII)
PF12344
(UvrB) 		4 GLU A 513
LEU A 493
ARG A 447
ARG A 492
 None
 1.24A 5l6eA-2d7dA:
undetectable
5l6eB-2d7dA:
undetectable		 5l6eA-2d7dA:
15.77
5l6eB-2d7dA:
17.18
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.
2dhb HEMOGLOBIN (DEOXY)
(BETA CHAIN)

(Equus caballus) 		PF00042
(Globin) 		4 GLU B  26
ARG B  30
LEU B 112
ARG B 116
 None
 0.97A 5l6eA-2dhbB:
undetectable
5l6eB-2dhbB:
undetectable		 5l6eA-2dhbB:
25.86
5l6eB-2dhbB:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2di3 BACTERIAL REGULATORY
PROTEINS, GNTR
FAMILY

(Corynebacterium
glutamicum) 		PF00392
(GntR)
PF07729
(FCD) 		4 GLU A 106
LEU A 167
ARG A 168
ARG A 102
 None
 1.03A 5l6eA-2di3A:
undetectable
5l6eB-2di3A:
undetectable		 5l6eA-2di3A:
18.58
5l6eB-2di3A:
19.60
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.
2eq9 PYRUVATE
DEHYDROGENASE
COMPLEX,
DIHYDROLIPOAMIDE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLU A 228
LEU A 204
ARG A 235
ARG A 224
 None
 1.04A 5l6eA-2eq9A:
undetectable
5l6eB-2eq9A:
undetectable		 5l6eA-2eq9A:
18.24
5l6eB-2eq9A:
19.70
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.
2gv8 MONOOXYGENASE

(Schizosaccharomyces
pombe) 		PF00743
(FMO-like)
PF13450
(NAD_binding_8) 		4 GLU A  28
ARG A 360
LEU A 361
ARG A 355
 None
 0.98A 5l6eA-2gv8A:
undetectable
5l6eB-2gv8A:
undetectable		 5l6eA-2gv8A:
18.35
5l6eB-2gv8A:
19.47
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		4 GLU A 453
ARG A 460
LEU A 468
ARG A 450
 None
 1.10A 5l6eA-2h1nA:
undetectable
5l6eB-2h1nA:
undetectable		 5l6eA-2h1nA:
18.01
5l6eB-2h1nA:
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.
2hq9 MLL6688 PROTEIN

(Mesorhizobium
loti) 		PF12900
(Pyridox_ox_2) 		4 GLU A 145
LEU A   2
ARG A 144
ARG A   4
 None
 1.26A 5l6eA-2hq9A:
undetectable
5l6eB-2hq9A:
undetectable		 5l6eA-2hq9A:
18.97
5l6eB-2hq9A:
19.30
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.
2jdf GAMMA CRYSTALLIN B

(Homo sapiens) 		PF00030
(Crystall) 		4 GLU A  97
LEU A  98
ARG A  99
ARG A 152
 None
 1.16A 5l6eA-2jdfA:
undetectable
5l6eB-2jdfA:
undetectable		 5l6eA-2jdfA:
20.37
5l6eB-2jdfA:
18.21
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.
2mbg RALA-BINDING PROTEIN
1

(Homo sapiens) 		PF00620
(RhoGAP) 		4 GLU A 302
ARG A 305
LEU A 283
ARG A 286
 None
 1.23A 5l6eA-2mbgA:
undetectable
5l6eB-2mbgA:
undetectable		 5l6eA-2mbgA:
19.06
5l6eB-2mbgA:
20.83
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.
2pc6 PROBABLE
ACETOLACTATE
SYNTHASE ISOZYME III
(SMALL SUBUNIT)

(Nitrosomonas
europaea) 		PF10369
(ALS_ss_C)
PF13710
(ACT_5) 		4 GLU A  85
ARG A 148
LEU A 124
ARG A  84
 None
 1.27A 5l6eA-2pc6A:
undetectable
5l6eB-2pc6A:
undetectable		 5l6eA-2pc6A:
22.36
5l6eB-2pc6A:
20.59
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.
2qq6 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A  69
ARG A  72
ARG A  66
ARG A  73
 None
 1.29A 5l6eA-2qq6A:
undetectable
5l6eB-2qq6A:
undetectable		 5l6eA-2qq6A:
18.60
5l6eB-2qq6A:
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.
2rq5 PROTEIN JUMONJI

(Mus musculus) 		PF01388
(ARID) 		4 GLU A 712
LEU A 717
ARG A 716
ARG A 715
 None
 1.25A 5l6eA-2rq5A:
undetectable
5l6eB-2rq5A:
undetectable		 5l6eA-2rq5A:
18.75
5l6eB-2rq5A:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wgb TETR FAMILY
TRANSCRIPTIONAL
REPRESSOR LFRR

(Mycolicibacterium
smegmatis) 		PF00440
(TetR_N) 		4 GLU A  12
LEU A  19
ARG A  64
ARG A  15
 None
None
SO4  A1186 (-3.0A)
None
 1.09A 5l6eA-2wgbA:
undetectable
5l6eB-2wgbA:
undetectable		 5l6eA-2wgbA:
21.65
5l6eB-2wgbA:
20.46
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.
2y4y PILP PROTEIN

(Pseudomonas
aeruginosa) 		PF04351
(PilP) 		4 GLU A 152
LEU A 133
ARG A 135
ARG A 166
 None
 1.05A 5l6eA-2y4yA:
undetectable
5l6eB-2y4yA:
undetectable		 5l6eA-2y4yA:
17.22
5l6eB-2y4yA:
15.11
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 GLU A 125
LEU A 231
ARG A 216
ARG A 230
 None
 1.00A 5l6eA-3bgaA:
undetectable
5l6eB-3bgaA:
undetectable		 5l6eA-3bgaA:
12.12
5l6eB-3bgaA:
14.75
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.
3csv AMINOGLYCOSIDE
PHOSPHOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF01636
(APH) 		4 GLU A 167
ARG A 163
ARG A 271
ARG A 144
 None
EDO  A 339 (-3.2A)
EDO  A 342 ( 3.1A)
EDO  A 339 (-3.3A)
 1.17A 5l6eA-3csvA:
undetectable
5l6eB-3csvA:
undetectable		 5l6eA-3csvA:
21.39
5l6eB-3csvA:
22.25
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.
3cuq VACUOLAR
PROTEIN-SORTING-ASSO
CIATED PROTEIN 36

(Homo sapiens) 		PF04157
(EAP30) 		4 GLU B 314
ARG B 302
LEU B 303
ARG B 304
 None
 1.10A 5l6eA-3cuqB:
undetectable
5l6eB-3cuqB:
undetectable		 5l6eA-3cuqB:
22.27
5l6eB-3cuqB:
20.21
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.
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A 293
LEU A 318
ARG A 322
ARG A 289
 None
 1.29A 5l6eA-3d46A:
undetectable
5l6eB-3d46A:
undetectable		 5l6eA-3d46A:
20.31
5l6eB-3d46A:
21.25
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.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus) 		PF01979
(Amidohydro_1) 		4 GLU A 168
LEU A 220
ARG A 223
ARG A 164
 None
 1.01A 5l6eA-3d6nA:
undetectable
5l6eB-3d6nA:
undetectable		 5l6eA-3d6nA:
19.63
5l6eB-3d6nA:
22.69
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.
3dbi SUGAR-BINDING
TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		4 ARG A 154
LEU A 153
ARG A 152
ARG A 151
 None
None
None
PO4  A 339 (-2.7A)
 1.24A 5l6eA-3dbiA:
1.9
5l6eB-3dbiA:
undetectable		 5l6eA-3dbiA:
20.88
5l6eB-3dbiA:
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 GLU A 101
LEU A 207
ARG A 192
ARG A 206
 None
 1.04A 5l6eA-3decA:
undetectable
5l6eB-3decA:
undetectable		 5l6eA-3decA:
12.95
5l6eB-3decA:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eh1 PROTEIN TRANSPORT
PROTEIN SEC24B

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 GLU A 663
ARG A 994
LEU A 982
ARG A 991
 None
 0.97A 5l6eA-3eh1A:
undetectable
5l6eB-3eh1A:
undetectable		 5l6eA-3eh1A:
16.12
5l6eB-3eh1A:
16.64
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.
3gut TRANSCRIPTION FACTOR
P65

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 GLU A 225
ARG A 236
ARG A 274
ARG A 273
 None
 1.25A 5l6eA-3gutA:
undetectable
5l6eB-3gutA:
undetectable		 5l6eA-3gutA:
21.55
5l6eB-3gutA:
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.
3ij5 3-DEOXY-D-MANNO-OCTU
LOSONATE 8-PHOSPHATE
PHOSPHATASE

(Yersinia pestis) 		PF08282
(Hydrolase_3) 		4 GLU A  49
LEU A  82
ARG A  78
ARG A  77
 None
 1.16A 5l6eA-3ij5A:
3.4
5l6eB-3ij5A:
3.0		 5l6eA-3ij5A:
21.34
5l6eB-3ij5A:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ikm DNA POLYMERASE
SUBUNIT GAMMA-1

(Homo sapiens) 		PF00476
(DNA_pol_A) 		4 GLU A1090
LEU A1025
ARG A1096
ARG A1030
 None
 1.27A 5l6eA-3ikmA:
undetectable
5l6eB-3ikmA:
undetectable		 5l6eA-3ikmA:
11.49
5l6eB-3ikmA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iom PURINE NUCLEOSIDE
PHOSPHORYLASE

(Mycobacterium
tuberculosis) 		PF01048
(PNP_UDP_1) 		4 GLU A 222
ARG A 217
ARG A 165
ARG A 163
 None
 1.24A 5l6eA-3iomA:
1.6
5l6eB-3iomA:
undetectable		 5l6eA-3iomA:
24.06
5l6eB-3iomA:
21.50
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.
3mcu DIPICOLINATE
SYNTHASE, B CHAIN

(Bacillus cereus) 		PF02441
(Flavoprotein) 		4 GLU A  35
ARG A  37
LEU A  85
ARG A   7
 None
 1.23A 5l6eA-3mcuA:
undetectable
5l6eB-3mcuA:
2.2		 5l6eA-3mcuA:
18.26
5l6eB-3mcuA:
18.21
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.
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacterium
smegmatis) 		PF02626
(CT_A_B) 		4 GLU A  57
ARG A 114
LEU A  13
ARG A 208
 None
 0.89A 5l6eA-3mmlA:
undetectable
5l6eB-3mmlA:
undetectable		 5l6eA-3mmlA:
23.12
5l6eB-3mmlA:
19.39
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 4 GLU A 347
ARG A 350
ARG A 480
ARG A 392
 None
 1.04A 5l6eA-3nlcA:
undetectable
5l6eB-3nlcA:
undetectable		 5l6eA-3nlcA:
19.47
5l6eB-3nlcA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o3p MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Rubrobacter
xylanophilus) 		PF00535
(Glycos_transf_2) 		4 GLU A 282
ARG A 284
LEU A 285
ARG A 277
 None
None
None
CL  A 337 (-4.1A)
 0.94A 5l6eA-3o3pA:
undetectable
5l6eB-3o3pA:
undetectable		 5l6eA-3o3pA:
19.30
5l6eB-3o3pA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p4s FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 GLU A 250
ARG A 327
ARG A 114
ARG A 115
 None
 1.20A 5l6eA-3p4sA:
undetectable
5l6eB-3p4sA:
undetectable		 5l6eA-3p4sA:
19.16
5l6eB-3p4sA:
18.71
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.
3pzr ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 GLU A 357
ARG A  19
LEU A  16
ARG A 360
 None
 1.19A 5l6eA-3pzrA:
undetectable
5l6eB-3pzrA:
undetectable		 5l6eA-3pzrA:
20.32
5l6eB-3pzrA:
23.75
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.
3rcy MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A 260
ARG A 261
LEU A 262
ARG A 286
 MG  A 500 (-2.6A)
None
RIB  A 433 (-4.7A)
None
 1.15A 5l6eA-3rcyA:
undetectable
5l6eB-3rcyA:
undetectable		 5l6eA-3rcyA:
20.24
5l6eB-3rcyA:
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.
3s2j DIPEPTIDASE

(Streptomyces
coelicolor) 		PF01244
(Peptidase_M19) 		4 ARG A   8
LEU A  11
ARG A  12
ARG A  56
 None
 1.16A 5l6eA-3s2jA:
undetectable
5l6eB-3s2jA:
undetectable		 5l6eA-3s2jA:
21.68
5l6eB-3s2jA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t4w MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A 260
ARG A 261
LEU A 262
ARG A 286
 None
 1.16A 5l6eA-3t4wA:
undetectable
5l6eB-3t4wA:
undetectable		 5l6eA-3t4wA:
18.39
5l6eB-3t4wA:
18.98
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.
3uw3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
thailandensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 GLU A 361
ARG A  19
LEU A  16
ARG A 364
 EDO  A 374 (-3.5A)
EDO  A 374 ( 4.9A)
None
EDO  A 374 (-4.3A)
 1.19A 5l6eA-3uw3A:
undetectable
5l6eB-3uw3A:
undetectable		 5l6eA-3uw3A:
20.21
5l6eB-3uw3A:
21.05
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.
3vj6 H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN, D-37 ALPHA
CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 ARG A  79
LEU A  78
ARG A  14
ARG A  75
 None
 1.28A 5l6eA-3vj6A:
undetectable
5l6eB-3vj6A:
undetectable		 5l6eA-3vj6A:
23.79
5l6eB-3vj6A:
24.55
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.
3w7b FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Thermus
thermophilus) 		PF00551
(Formyl_trans_N)
PF01842
(ACT) 		4 GLU A 258
LEU A 262
ARG A 259
ARG A 172
 None
 1.27A 5l6eA-3w7bA:
undetectable
5l6eB-3w7bA:
undetectable		 5l6eA-3w7bA:
21.52
5l6eB-3w7bA:
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.
4alz YOP PROTEINS
TRANSLOCATION
PROTEIN D

(Yersinia
enterocolitica) 		PF16693
(Yop-YscD_ppl) 		4 GLU A 159
LEU A 163
ARG A 162
ARG A 161
 None
 1.21A 5l6eA-4alzA:
undetectable
5l6eB-4alzA:
undetectable		 5l6eA-4alzA:
24.21
5l6eB-4alzA:
24.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 LEU A  42
ARG A  27
ARG A  26
ARG A  38
 None
 1.23A 5l6eA-4cw4A:
undetectable
5l6eB-4cw4A:
undetectable		 5l6eA-4cw4A:
18.68
5l6eB-4cw4A:
18.54
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.
4e4u MANDALATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A 259
ARG A 260
LEU A 261
ARG A 285
 None
 1.10A 5l6eA-4e4uA:
undetectable
5l6eB-4e4uA:
undetectable		 5l6eA-4e4uA:
19.51
5l6eB-4e4uA:
21.00
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.
4ern TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPB
SUBUNIT

(Homo sapiens) 		PF16203
(ERCC3_RAD25_C) 		4 GLU A 636
ARG A 676
ARG A 634
ARG A 633
 None
 1.28A 5l6eA-4ernA:
undetectable
5l6eB-4ernA:
undetectable		 5l6eA-4ernA:
19.67
5l6eB-4ernA:
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.
4etp SPINDLE POLE
BODY-ASSOCIATED
PROTEIN VIK1

(Saccharomyces
cerevisiae) 		PF16796
(Microtub_bd) 		4 GLU B 365
ARG B 412
LEU B 358
ARG B 360
 None
 1.21A 5l6eA-4etpB:
undetectable
5l6eB-4etpB:
undetectable		 5l6eA-4etpB:
20.42
5l6eB-4etpB:
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.
4guz PROBABLE ARYLAMINE
N-ACETYL TRANSFERASE

(Mycobacteroides
abscessus) 		PF00797
(Acetyltransf_2) 		4 GLU A  27
ARG A  31
ARG A  34
ARG A  30
 None
 1.22A 5l6eA-4guzA:
undetectable
5l6eB-4guzA:
undetectable		 5l6eA-4guzA:
21.99
5l6eB-4guzA:
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.
4j3z MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A 261
ARG A 262
LEU A 263
ARG A 286
 None
 1.27A 5l6eA-4j3zA:
undetectable
5l6eB-4j3zA:
undetectable		 5l6eA-4j3zA:
19.45
5l6eB-4j3zA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 GLU A 167
ARG A 137
LEU A 136
ARG A 228
 None
 1.09A 5l6eA-4kxbA:
undetectable
5l6eB-4kxbA:
undetectable		 5l6eA-4kxbA:
11.97
5l6eB-4kxbA:
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.
4li3 CYSTEINE SYNTHASE

(Haemophilus
influenzae) 		PF00291
(PALP) 		4 GLU X 264
LEU X 261
ARG X 259
ARG X 260
 None
 1.23A 5l6eA-4li3X:
undetectable
5l6eB-4li3X:
undetectable		 5l6eA-4li3X:
22.26
5l6eB-4li3X:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mhp GLUTAMINYL CYCLASE,
PUTATIVE

(Ixodes
scapularis) 		PF04389
(Peptidase_M28) 		4 GLU A 232
LEU A 123
ARG A 122
ARG A  32
 None
 1.24A 5l6eA-4mhpA:
2.1
5l6eB-4mhpA:
1.5		 5l6eA-4mhpA:
21.56
5l6eB-4mhpA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mhu ECTOINE HYDROXYLASE

(Sphingopyxis
alaskensis) 		PF05721
(PhyH) 		4 GLU A 122
LEU A 293
ARG A 294
ARG A 116
 None
 0.67A 5l6eA-4mhuA:
undetectable
5l6eB-4mhuA:
undetectable		 5l6eA-4mhuA:
22.74
5l6eB-4mhuA:
20.96
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.
4ml9 UNCHARACTERIZED
PROTEIN

(Sebaldella
termitidis) 		PF00977
(His_biosynth) 		4 GLU A   7
LEU A  14
ARG A  10
ARG A  11
 None
 1.21A 5l6eA-4ml9A:
undetectable
5l6eB-4ml9A:
undetectable		 5l6eA-4ml9A:
22.18
5l6eB-4ml9A:
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.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 GLU A 446
ARG A 426
ARG A 386
ARG A 388
 None
 1.00A 5l6eA-4oqjA:
undetectable
5l6eB-4oqjA:
undetectable		 5l6eA-4oqjA:
11.57
5l6eB-4oqjA:
16.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN

(Escherichia
coli) 		no annotation 4 GLU B 111
ARG B 347
ARG B 344
ARG B 114
 None
 1.20A 5l6eA-4pl2B:
undetectable
5l6eB-4pl2B:
undetectable		 5l6eA-4pl2B:
21.67
5l6eB-4pl2B:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r89 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF08774
(VRR_NUC) 		4 GLU A 255
LEU A 254
ARG A 257
ARG A 258
 None
 1.24A 5l6eA-4r89A:
undetectable
5l6eB-4r89A:
undetectable		 5l6eA-4r89A:
16.88
5l6eB-4r89A:
18.04
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.
4v2p KETOSYNTHASE

(Myxococcus
fulvus) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 LEU A  26
ARG A  50
ARG A  51
ARG A  48
 None
 1.05A 5l6eA-4v2pA:
undetectable
5l6eB-4v2pA:
undetectable		 5l6eA-4v2pA:
20.13
5l6eB-4v2pA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yxm DNA INTEGRITY
SCANNING PROTEIN
DISA

(Thermotoga
maritima) 		PF00633
(HHH)
PF02457
(DisA_N)
PF10635
(DisA-linker) 		4 ARG A 207
LEU A 224
ARG A 221
ARG A 225
 None
 1.22A 5l6eA-4yxmA:
undetectable
5l6eB-4yxmA:
undetectable		 5l6eA-4yxmA:
20.31
5l6eB-4yxmA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5axk TRNA(HIS)-5'-GUANYLY
LTRANSFERASE (THG1)
LIKE PROTEIN

(Methanosarcina
acetivorans) 		PF04446
(Thg1)
PF14413
(Thg1C) 		4 GLU A 133
LEU A 132
ARG A 130
ARG A 136
 None
 1.25A 5l6eA-5axkA:
undetectable
5l6eB-5axkA:
undetectable		 5l6eA-5axkA:
23.53
5l6eB-5axkA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bnt ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		no annotation 4 GLU C 358
ARG C  20
LEU C  17
ARG C 361
 None
 1.18A 5l6eA-5bntC:
undetectable
5l6eB-5bntC:
undetectable		 5l6eA-5bntC:
20.00
5l6eB-5bntC:
22.86
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.
5d39 SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION 6

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		4 ARG A 140
LEU A 137
ARG A 135
ARG A 136
 None
 1.10A 5l6eA-5d39A:
undetectable
5l6eB-5d39A:
undetectable		 5l6eA-5d39A:
19.38
5l6eB-5d39A:
18.71
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.
5d95 AMINOTRANSFERASE
CLASS-III

(Sphaerobacter
thermophilus) 		PF00202
(Aminotran_3) 		4 GLU A 215
ARG A 146
LEU A 216
ARG A 213
 None
 1.21A 5l6eA-5d95A:
undetectable
5l6eB-5d95A:
undetectable		 5l6eA-5d95A:
19.42
5l6eB-5d95A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5diz PROTEINACEOUS RNASE
P 2

(Arabidopsis
thaliana) 		PF16953
(PRORP)
PF17177
(PPR_long) 		4 GLU A 109
ARG A 145
LEU A 146
ARG A 147
 None
 0.92A 5l6eA-5dizA:
undetectable
5l6eB-5dizA:
undetectable		 5l6eA-5dizA:
17.68
5l6eB-5dizA:
19.69
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.
5fmf DNA REPAIR HELICASE
RAD25, SSL2

(Saccharomyces
cerevisiae) 		PF04851
(ResIII)
PF16203
(ERCC3_RAD25_C) 		4 GLU 1 683
ARG 1 722
ARG 1 681
ARG 1 680
 None
 1.28A 5l6eA-5fmf1:
undetectable
5l6eB-5fmf1:
0.7		 5l6eA-5fmf1:
18.61
5l6eB-5fmf1:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gtj DUAL SPECIFICITY
PROTEIN PHOSPHATASE
26

(Homo sapiens) 		PF00782
(DSPc) 		4 ARG A  80
LEU A  83
ARG A  85
ARG A  84
 None
 1.26A 5l6eA-5gtjA:
undetectable
5l6eB-5gtjA:
undetectable		 5l6eA-5gtjA:
20.94
5l6eB-5gtjA:
17.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h1z PUTATIVE CYP ALKANE
HYDROXYLASE
CYP153D17

(Sphingomonas
sp. PAMC 26605) 		PF00067
(p450) 		4 GLU A 272
ARG A 268
ARG A 406
ARG A 379
 None
 1.18A 5l6eA-5h1zA:
undetectable
5l6eB-5h1zA:
undetectable		 5l6eA-5h1zA:
21.03
5l6eB-5h1zA:
21.18
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.
5hax NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF08801
(Nucleoporin_N) 		4 GLU A 718
ARG A 721
LEU A 720
ARG A 719
 None
 1.14A 5l6eA-5haxA:
undetectable
5l6eB-5haxA:
undetectable		 5l6eA-5haxA:
15.51
5l6eB-5haxA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hb1 NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF03177
(Nucleoporin_C) 		4 GLU A 718
ARG A 721
LEU A 720
ARG A 719
 None
 1.18A 5l6eA-5hb1A:
undetectable
5l6eB-5hb1A:
undetectable		 5l6eA-5hb1A:
13.43
5l6eB-5hb1A:
16.34
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.
5jvo ARGININE REPRESSOR

(Corynebacterium
pseudotuberculosis) 		PF02863
(Arg_repressor_C) 		4 LEU A  87
ARG A  88
ARG A 160
ARG A 159
 None
 1.03A 5l6eA-5jvoA:
undetectable
5l6eB-5jvoA:
undetectable		 5l6eA-5jvoA:
17.18
5l6eB-5jvoA:
15.03
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.
5k7m N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14

(Homo sapiens) 		PF05063
(MT-A70) 		4 ARG B 245
LEU B 248
ARG B 254
ARG B 255
 None
 0.31A 5l6eA-5k7mB:
20.5
5l6eB-5k7mB:
33.0		 5l6eA-5k7mB:
25.76
5l6eB-5k7mB:
98.96
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.
5kuf GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		4 GLU A 192
LEU A 184
ARG A 189
ARG A 171
 None
 1.17A 5l6eA-5kufA:
1.7
5l6eB-5kufA:
undetectable		 5l6eA-5kufA:
13.89
5l6eB-5kufA:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l6e N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14

(Homo sapiens) 		PF05063
(MT-A70) 		5 ARG B 245
LEU B 248
ARG B 249
ARG B 254
ARG B 255
 None
ACT  B 401 ( 3.8A)
ACT  B 401 (-3.5A)
None
None
 0.00A 5l6eA-5l6eB:
20.3
5l6eB-5l6eB:
41.0		 5l6eA-5l6eB:
27.05
5l6eB-5l6eB:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE BETA
SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B)
PF08882
(Acetone_carb_G) 		4 GLU C  44
ARG C  69
ARG A 645
ARG C  46
 None
 1.28A 5l6eA-5l9wC:
undetectable
5l6eB-5l9wC:
undetectable		 5l6eA-5l9wC:
22.36
5l6eB-5l9wC:
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.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 4 GLU A 113
ARG A 121
LEU A 122
ARG A 362
 None
 0.98A 5l6eA-5nvaA:
undetectable
5l6eB-5nvaA:
undetectable		 5l6eA-5nvaA:
undetectable
5l6eB-5nvaA:
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.
5opt RIBOSOMAL PROTEIN
S7, PUTATIVE

(Trypanosoma
cruzi) 		no annotation 4 GLU Q  86
LEU Q  83
ARG Q  81
ARG Q  40
 C  E1166 ( 3.3A)
None
None
C  E1167 ( 4.0A)
 1.21A 5l6eA-5optQ:
undetectable
5l6eB-5optQ:
undetectable		 5l6eA-5optQ:
21.46
5l6eB-5optQ:
19.86
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.
5ovy PUTATIVE
TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Mycobacteroides
abscessus) 		no annotation 4 GLU B 150
LEU B 147
ARG B 191
ARG B 148
 None
 1.00A 5l6eA-5ovyB:
undetectable
5l6eB-5ovyB:
undetectable		 5l6eA-5ovyB:
undetectable
5l6eB-5ovyB:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tey N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT
N6-ADENOSINE-METHYLT
RANSFERASE SUBUNIT
METTL14

(Homo sapiens;
Homo sapiens) 		PF05063
(MT-A70)
PF05063
(MT-A70) 		5 GLU A 438
ARG B 245
LEU B 248
ARG B 249
ARG B 255
 UNX  B 405 ( 4.5A)
None
None
UNX  B 405 ( 4.8A)
None
 0.22A 5l6eA-5teyA:
36.0
5l6eB-5teyA:
20.7		 5l6eA-5teyA:
99.56
5l6eB-5teyA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 GLU B 489
ARG B 819
LEU B 807
ARG B 816
 None
 0.98A 5l6eA-5vniB:
1.5
5l6eB-5vniB:
1.7		 5l6eA-5vniB:
12.95
5l6eB-5vniB:
17.06
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.
5xev XAA-PRO
DIPEPTIDASE,PEPTIDAS
E-RELATED PROTEIN

(Deinococcus
radiodurans) 		no annotation 4 GLU A 282
LEU A 284
ARG A 287
ARG A 285
 None
 1.17A 5l6eA-5xevA:
undetectable
5l6eB-5xevA:
undetectable		 5l6eA-5xevA:
18.56
5l6eB-5xevA:
19.06
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.
5xnp LEUCINE-RICH REPEAT
AND FIBRONECTIN
TYPE-III
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		no annotation 4 GLU A 279
LEU A 254
ARG A 252
ARG A 253
 None
 1.13A 5l6eA-5xnpA:
undetectable
5l6eB-5xnpA:
undetectable		 5l6eA-5xnpA:
undetectable
5l6eB-5xnpA:
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.
6bac ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Neisseria
gonorrhoeae) 		no annotation 4 GLU A 358
ARG A  19
LEU A  16
ARG A 361
 None
 1.18A 5l6eA-6bacA:
undetectable
5l6eB-6bacA:
undetectable		 5l6eA-6bacA:
20.45
5l6eB-6bacA:
21.34
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.
6bog RNA
POLYMERASE-ASSOCIATE
D PROTEIN RAPA

(Escherichia
coli) 		no annotation 4 ARG A 599
LEU A 597
ARG A 593
ARG A 596
 None
None
None
SO4  A1002 (-2.2A)
 1.28A 5l6eA-6bogA:
undetectable
5l6eB-6bogA:
undetectable		 5l6eA-6bogA:
undetectable
5l6eB-6bogA:
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.
6ezy -

(-) 		no annotation 4 GLU A  96
ARG A  92
LEU A 163
ARG A  67
 GLU  A  96 ( 0.6A)
ARG  A  92 ( 0.6A)
LEU  A 163 ( 0.6A)
ARG  A  67 ( 0.6A)
 0.87A 5l6eA-6ezyA:
undetectable
5l6eB-6ezyA:
undetectable		 5l6eA-6ezyA:
undetectable
5l6eB-6ezyA:
undetectable