SIMILAR PATTERNS OF AMINO ACIDS FOR 5YW0_A_ACTA410_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.
1a80 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE A

(Corynebacterium
sp.) 		PF00248
(Aldo_ket_red) 		4 GLY A 137
LEU A 106
VAL A 159
GLU A 185
 None
 1.42A 5yw0A-1a80A:
0.0		 5yw0A-1a80A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bhg BETA-GLUCURONIDASE

(Homo sapiens) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 GLY A 145
LEU A 147
VAL A 429
GLU A 432
 None
 1.39A 5yw0A-1bhgA:
0.6		 5yw0A-1bhgA:
21.31
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.
1fsl LEGHEMOGLOBIN A

(Glycine max) 		PF00042
(Globin) 		4 GLY A  80
LEU A  76
VAL A   1
GLU A 135
 None
 1.48A 5yw0A-1fslA:
undetectable		 5yw0A-1fslA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hyn BAND 3 ANION
TRANSPORT PROTEIN

(Homo sapiens) 		PF07565
(Band_3_cyto) 		4 GLY P 282
LEU P  61
VAL P 231
GLU P  63
 None
 1.18A 5yw0A-1hynP:
0.0		 5yw0A-1hynP:
21.78
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.
1i6a HYDROGEN
PEROXIDE-INDUCIBLE
GENES ACTIVATOR

(Escherichia
coli) 		PF03466
(LysR_substrate) 		4 GLY A 269
LEU A 148
VAL A 271
GLU A 157
 None
 1.45A 5yw0A-1i6aA:
0.0		 5yw0A-1i6aA:
23.44
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.
1ldk CULLIN HOMOLOG

(Homo sapiens) 		PF00888
(Cullin) 		4 GLY A 212
LEU A 213
VAL A 227
GLU A 230
 None
 1.42A 5yw0A-1ldkA:
undetectable		 5yw0A-1ldkA:
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.
1ps9 2,4-DIENOYL-COA
REDUCTASE

(Escherichia
coli) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 GLY A 541
LEU A 543
VAL A 221
GLU A 222
 None
 1.16A 5yw0A-1ps9A:
0.0		 5yw0A-1ps9A:
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.
1sq2 NOVEL ANTIGEN
RECEPTOR

(Ginglymostoma
cirratum) 		PF07686
(V-set) 		4 GLY N  84
LEU N  85
VAL N   3
GLU N 103
 None
 1.04A 5yw0A-1sq2N:
0.0		 5yw0A-1sq2N:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uzj FIBRILLIN-1

(Homo sapiens) 		PF00683
(TB)
PF07645
(EGF_CA) 		4 GLY A1554
LEU A1613
VAL A1557
GLU A1612
 None
 0.98A 5yw0A-1uzjA:
0.0		 5yw0A-1uzjA:
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.
1wue MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A1046
LEU A1033
VAL A1297
GLU A1047
 None
 1.45A 5yw0A-1wueA:
0.0		 5yw0A-1wueA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z2i MALATE DEHYDROGENASE

(Agrobacterium
tumefaciens) 		PF02615
(Ldh_2) 		4 GLY A 116
LEU A 109
VAL A 118
GLU A  86
 None
 1.34A 5yw0A-1z2iA:
0.0		 5yw0A-1z2iA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z6x ADP-RIBOSYLATION
FACTOR 4

(Homo sapiens) 		PF00025
(Arf) 		4 GLY A  24
LEU A  25
VAL A  68
GLU A 106
 None
 1.21A 5yw0A-1z6xA:
undetectable		 5yw0A-1z6xA:
20.85
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.
2d3t FATTY OXIDATION
COMPLEX ALPHA
SUBUNIT

(Pseudomonas
fragi) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 GLY A 661
LEU A 461
VAL A 500
GLU A 463
 None
 1.32A 5yw0A-2d3tA:
undetectable		 5yw0A-2d3tA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 GLY A  68
LEU A 434
VAL A 100
GLU A  69
 None
 1.25A 5yw0A-2g3nA:
undetectable		 5yw0A-2g3nA:
18.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gl5 PUTATIVE DEHYDRATASE
PROTEIN

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A  40
LEU A  27
VAL A 330
GLU A  41
 None
 1.22A 5yw0A-2gl5A:
undetectable		 5yw0A-2gl5A:
24.59
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.
2iuc ALKALINE PHOSPHATASE

(Antarctic
bacterium TAB5) 		PF00245
(Alk_phosphatase) 		4 GLY B 350
LEU B  31
VAL B 370
GLU B 353
 None
 1.13A 5yw0A-2iucB:
undetectable		 5yw0A-2iucB:
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.
2noq 60S RIBOSOMAL
PROTEIN L11-B

(Saccharomyces
cerevisiae) 		PF00281
(Ribosomal_L5)
PF00673
(Ribosomal_L5_C) 		4 GLY H  82
LEU H  83
VAL H  85
GLU H  87
 None
 1.40A 5yw0A-2noqH:
undetectable		 5yw0A-2noqH:
19.94
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.
2o6x SECRETED CATHEPSIN L
1

(Fasciola
hepatica) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		4 GLY A 283
LEU A 284
VAL A 114
GLU A 113
 None
 1.18A 5yw0A-2o6xA:
undetectable		 5yw0A-2o6xA:
23.43
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.
2opj O-SUCCINYLBENZOATE-C
OA SYNTHASE

(Thermobifida
fusca) 		PF13378
(MR_MLE_C) 		4 GLY A  34
LEU A  26
VAL A 234
GLU A  35
 None
 1.46A 5yw0A-2opjA:
undetectable		 5yw0A-2opjA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ox4 PUTATIVE MANDELATE
RACEMASE

(Zymomonas
mobilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A  36
LEU A  23
VAL A 321
GLU A  37
 None
 1.37A 5yw0A-2ox4A:
undetectable		 5yw0A-2ox4A:
25.30
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.
2pfz PUTATIVE EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF03480
(DctP) 		4 GLY A  81
LEU A  82
VAL A 148
GLU A  78
 None
 1.07A 5yw0A-2pfzA:
undetectable		 5yw0A-2pfzA:
21.43
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.
2pqi RIBOSOME-INACTIVATIN
G PROTEIN 3

(Zea mays) 		PF00161
(RIP) 		4 GLY A 235
LEU A 139
VAL A 238
GLU A 207
 None
 1.38A 5yw0A-2pqiA:
undetectable		 5yw0A-2pqiA:
21.94
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.
2pvq GLUTATHIONE
S-TRANSFERASE

(Ochrobactrum
anthropi) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 GLY A 199
LEU A 200
VAL A   7
GLU A 198
 None
 1.28A 5yw0A-2pvqA:
undetectable		 5yw0A-2pvqA:
22.88
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.
2qcv PUTATIVE
5-DEHYDRO-2-DEOXYGLU
CONOKINASE

(Bacillus
halodurans) 		PF00294
(PfkB) 		4 GLY A  64
LEU A 125
VAL A  90
GLU A 129
 None
 1.42A 5yw0A-2qcvA:
undetectable		 5yw0A-2qcvA:
25.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qq6 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A  34
LEU A  22
VAL A 322
GLU A  35
 None
 1.27A 5yw0A-2qq6A:
undetectable		 5yw0A-2qq6A:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 GLY A 661
LEU A 459
VAL A 498
GLU A 461
 None
 1.37A 5yw0A-2wtbA:
undetectable		 5yw0A-2wtbA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z3k LEUCYL/PHENYLALANYL-
TRNA-PROTEIN
TRANSFERASE

(Escherichia
coli) 		PF03588
(Leu_Phe_trans) 		4 GLY A 142
LEU A 140
VAL A  98
GLU A 133
 None
 1.33A 5yw0A-2z3kA:
undetectable		 5yw0A-2z3kA:
22.67
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.
3cea MYO-INOSITOL
2-DEHYDROGENASE

(Lactobacillus
plantarum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 GLY A  19
LEU A  18
VAL A  77
GLU A 100
 NAD  A 400 ( 4.9A)
NAD  A 400 (-4.4A)
NAD  A 400 ( 4.6A)
NAD  A 400 (-3.2A)
 1.26A 5yw0A-3ceaA:
undetectable		 5yw0A-3ceaA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ckm YRAM (HI1655)

(Haemophilus
influenzae) 		PF04348
(LppC) 		4 GLY A 391
LEU A 390
VAL A 394
GLU A 363
 None
 1.32A 5yw0A-3ckmA:
undetectable		 5yw0A-3ckmA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		4 GLY A 105
LEU A 127
VAL A 169
GLU A 172
 NDP  A 610 (-3.3A)
NDP  A 610 (-4.0A)
NDP  A 610 (-3.9A)
NDP  A 610 (-2.8A)
 1.36A 5yw0A-3dg8A:
undetectable		 5yw0A-3dg8A:
23.96
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.
3eix HTSA PROTEIN

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		4 GLY A  77
LEU A 115
VAL A 101
GLU A 111
 None
 1.27A 5yw0A-3eixA:
undetectable		 5yw0A-3eixA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3euc HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE 2

(Cupriavidus
pinatubonensis) 		PF00155
(Aminotran_1_2) 		4 GLY A  90
LEU A  89
VAL A 256
GLU A 261
 None
 1.17A 5yw0A-3eucA:
undetectable		 5yw0A-3eucA:
25.13
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.
3f67 PUTATIVE
DIENELACTONE
HYDROLASE

(Klebsiella
pneumoniae) 		PF01738
(DLH) 		4 GLY A 171
LEU A 170
VAL A 202
GLU A 200
 None
 1.32A 5yw0A-3f67A:
undetectable		 5yw0A-3f67A:
20.06
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.
3ffc CF34 ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		4 GLY D  93
LEU D  92
VAL D 120
GLU D  15
 None
 1.45A 5yw0A-3ffcD:
undetectable		 5yw0A-3ffcD:
23.55
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.
3io0 ETUB PROTEIN

(Clostridium
kluyveri) 		PF00936
(BMC) 		4 GLY A  91
LEU A 178
VAL A  82
GLU A 175
 None
 1.24A 5yw0A-3io0A:
undetectable		 5yw0A-3io0A:
21.28
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF19

(Schizosaccharomyces
pombe) 		no annotation 4 GLY c 563
LEU c 562
VAL c 578
GLU c 580
 None
 1.20A 5yw0A-3jb9c:
undetectable		 5yw0A-3jb9c:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k7d GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		4 GLY A 687
LEU A 691
VAL A 793
GLU A 651
 None
 1.40A 5yw0A-3k7dA:
undetectable		 5yw0A-3k7dA:
21.83
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.
3kos HTH-TYPE
TRANSCRIPTIONAL
ACTIVATOR AMPR

(Citrobacter
freundii) 		PF03466
(LysR_substrate) 		4 GLY A  99
LEU A 141
VAL A 134
GLU A 139
 None
None
GOL  A   4 ( 4.9A)
GOL  A   4 (-3.2A)
 1.44A 5yw0A-3kosA:
undetectable		 5yw0A-3kosA:
22.67
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.
3mog PROBABLE
3-HYDROXYBUTYRYL-COA
DEHYDROGENASE

(Escherichia
coli) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 GLY A 422
LEU A 152
VAL A 191
GLU A 154
 None
 1.31A 5yw0A-3mogA:
undetectable		 5yw0A-3mogA:
22.52
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.
3nxl GLUCARATE
DEHYDRATASE

(Burkholderia
lata) 		PF13378
(MR_MLE_C) 		4 GLY A  57
LEU A  44
VAL A 366
GLU A  58
 None
 1.28A 5yw0A-3nxlA:
undetectable		 5yw0A-3nxlA:
22.64
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.
3o47 ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN 1,
ADP-RIBOSYLATION
FACTOR 1

(Homo sapiens) 		PF00025
(Arf)
PF01412
(ArfGap) 		4 GLY A 154
LEU A 155
VAL A 198
GLU A 236
 None
 1.20A 5yw0A-3o47A:
undetectable		 5yw0A-3o47A:
21.29
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.
3ome ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		4 GLY A 112
LEU A 115
VAL A 143
GLU A 144
 None
None
None
ZN  A 300 (-3.1A)
 1.25A 5yw0A-3omeA:
undetectable		 5yw0A-3omeA:
20.24
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.
3pei CYTOSOL
AMINOPEPTIDASE

(Francisella
tularensis) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 GLY A 335
LEU A 252
VAL A 220
GLU A 334
 CL  A 496 ( 3.9A)
None
None
None
 1.35A 5yw0A-3peiA:
undetectable		 5yw0A-3peiA:
21.14
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.
3rcy MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A  38
LEU A  25
VAL A 316
GLU A  39
 None
 1.39A 5yw0A-3rcyA:
undetectable		 5yw0A-3rcyA:
20.05
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.
3t3w ENOYL-COA HYDRATASE

(Mycolicibacterium
thermoresistibile) 		PF00378
(ECH_1) 		4 GLY A 128
LEU A 131
VAL A 159
GLU A 160
 None
None
None
ZN  A 301 (-3.0A)
 1.23A 5yw0A-3t3wA:
undetectable		 5yw0A-3t3wA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t4w MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A  38
LEU A  25
VAL A 316
GLU A  39
 None
 1.34A 5yw0A-3t4wA:
undetectable		 5yw0A-3t4wA:
21.30
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.
3tos CALS11

(Micromonospora
echinospora) 		PF05711
(TylF) 		4 GLY A 105
LEU A  84
VAL A  78
GLU A  75
 None
None
None
SAH  A 258 (-3.2A)
 1.17A 5yw0A-3tosA:
undetectable		 5yw0A-3tosA:
21.30
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 GLY A 105
LEU A 127
VAL A 169
GLU A 172
 NDP  A 610 (-3.2A)
NDP  A 610 (-3.9A)
NDP  A 610 (-4.2A)
NDP  A 610 (-2.9A)
 1.35A 5yw0A-3um6A:
undetectable		 5yw0A-3um6A:
19.45
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.
3va9 SENSOR HISTIDINE
KINASE

(Rhodopseudomonas
palustris) 		PF05227
(CHASE3) 		4 GLY A 134
LEU A  74
VAL A 130
GLU A  70
 None
 1.27A 5yw0A-3va9A:
undetectable		 5yw0A-3va9A:
22.67
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.
3wi5 MAJOR OUTER MEMBRANE
PROTEIN P.IB

(Neisseria
meningitidis) 		PF00267
(Porin_1) 		4 GLY A  12
LEU A  38
VAL A  36
GLU A  14
 None
 1.47A 5yw0A-3wi5A:
undetectable		 5yw0A-3wi5A:
23.65
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.
4a9w MONOOXYGENASE

(Stenotrophomonas
maltophilia) 		PF13738
(Pyr_redox_3) 		4 GLY A  11
LEU A  16
VAL A  93
GLU A  86
 FAD  A1353 ( 4.7A)
None
None
None
 1.42A 5yw0A-4a9wA:
undetectable		 5yw0A-4a9wA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 GLY B3203
LEU B3249
VAL B3293
GLU B3305
 None
 1.41A 5yw0A-4bedB:
undetectable		 5yw0A-4bedB:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hpn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A  46
LEU A  33
VAL A 302
GLU A  47
 None
 1.31A 5yw0A-4hpnA:
undetectable		 5yw0A-4hpnA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4il6 PHOTOSYSTEM Q(B)
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00124
(Photo_RC) 		4 GLY A 327
LEU A 326
VAL A 330
GLU A 329
 None
 1.31A 5yw0A-4il6A:
undetectable		 5yw0A-4il6A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j0x RIBOSOMAL
RNA-PROCESSING
PROTEIN 9

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 GLY A 562
LEU A 157
VAL A 152
GLU A 154
 None
 1.50A 5yw0A-4j0xA:
undetectable		 5yw0A-4j0xA:
20.65
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.
4j3z MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A  39
LEU A  26
VAL A 316
GLU A  40
 None
 1.39A 5yw0A-4j3zA:
undetectable		 5yw0A-4j3zA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4joq ABC RIBOSE
TRANSPORTER,
PERIPLASMIC
SOLUTE-BINDING
PROTEIN

(Rhodobacter
sphaeroides) 		PF13407
(Peripla_BP_4) 		4 GLY A 124
LEU A 125
VAL A 120
GLU A 131
 None
 1.39A 5yw0A-4joqA:
undetectable		 5yw0A-4joqA:
23.72
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.
4jwv SHORT CHAIN
ENOYL-COA HYDRATASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		4 GLY A 107
LEU A 129
VAL A 142
GLU A 111
 None
 1.24A 5yw0A-4jwvA:
undetectable		 5yw0A-4jwvA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ky9 BAND 3 ANION
TRANSPORT PROTEIN

(Homo sapiens) 		PF07565
(Band_3_cyto) 		4 GLY A 282
LEU A  61
VAL A 231
GLU A  63
 None
 1.26A 5yw0A-4ky9A:
undetectable		 5yw0A-4ky9A:
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		4 GLY A  43
LEU A  63
VAL A 102
GLU A 105
 NAP  A 201 (-3.3A)
NAP  A 201 (-4.0A)
NAP  A 201 (-4.1A)
NAP  A 201 (-2.7A)
 1.38A 5yw0A-4m7vA:
undetectable		 5yw0A-4m7vA:
17.55
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.
4mhb PUTATIVE ALDO/KETO
REDUCTASE

(Yersinia pestis) 		PF00248
(Aldo_ket_red) 		4 GLY A  30
LEU A  56
VAL A 238
GLU A 195
 None
 1.24A 5yw0A-4mhbA:
undetectable		 5yw0A-4mhbA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n54 INOSITOL
DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 GLY A  17
LEU A  16
VAL A  75
GLU A  98
 NAI  A 401 ( 4.9A)
NAI  A 401 (-3.9A)
NAI  A 401 (-4.6A)
NAI  A 401 (-3.3A)
 1.27A 5yw0A-4n54A:
undetectable		 5yw0A-4n54A:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q3k MGS-M1

(unidentified) 		PF00326
(Peptidase_S9)
PF07859
(Abhydrolase_3) 		4 GLY A 206
LEU A 203
VAL A 222
GLU A 219
 None
 1.42A 5yw0A-4q3kA:
undetectable		 5yw0A-4q3kA:
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.
4s28 PHOSPHOMETHYLPYRIMID
INE SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01964
(ThiC_Rad_SAM) 		4 GLY A 452
LEU A 454
VAL A 485
GLU A 489
 None
None
None
SAH  A 703 (-2.5A)
 1.39A 5yw0A-4s28A:
undetectable		 5yw0A-4s28A:
19.34
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.
4wd2 AROMATIC-AMINO-ACID
TRANSAMINASE TYRB

(Burkholderia
cenocepacia) 		PF00155
(Aminotran_1_2) 		4 GLY A 290
LEU A 250
VAL A 293
GLU A  53
 None
 1.33A 5yw0A-4wd2A:
undetectable		 5yw0A-4wd2A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x0e PROBABLE
NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01467
(CTP_transf_like) 		4 GLY A   7
LEU A   6
VAL A  37
GLU A  35
 None
 1.27A 5yw0A-4x0eA:
undetectable		 5yw0A-4x0eA:
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.
4ybr NICOTINATE-NUCLEOTID
E
ADENYLYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01467
(CTP_transf_like) 		4 GLY A   7
LEU A   6
VAL A  37
GLU A  35
 None
 1.24A 5yw0A-4ybrA:
undetectable		 5yw0A-4ybrA:
21.97
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.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 GLY A 776
LEU A 789
VAL A 584
GLU A 582
 None
 1.48A 5yw0A-4zdnA:
undetectable		 5yw0A-4zdnA:
19.01
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 4 GLY B 482
LEU B 524
VAL B 598
GLU B 597
 None
 1.28A 5yw0A-5eduB:
undetectable		 5yw0A-5eduB:
18.24
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASC

(Escherichia
coli) 		PF09344
(Cas_CT1975) 		4 GLY D 157
LEU D 154
VAL D 115
GLU D 118
 None
 1.32A 5yw0A-5h9fD:
undetectable		 5yw0A-5h9fD:
23.04
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.
5i4q CONTACT-DEPENDENT
INHIBITOR A
ELONGATION FACTOR TU

(Escherichia
coli;
Escherichia
coli) 		no annotation
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		4 GLY C 258
LEU C 278
VAL A 205
GLU A 209
 None
 1.42A 5yw0A-5i4qC:
undetectable		 5yw0A-5i4qC:
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		4 GLY A 593
LEU A 434
VAL A 414
GLU A 590
 None
 1.27A 5yw0A-5ijlA:
undetectable		 5yw0A-5ijlA:
15.09
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.
5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA

(Homo sapiens;
synthetic
construct) 		no annotation 4 GLY B 934
LEU B 937
VAL B 973
GLU B 974
 None
 1.25A 5yw0A-5jcpB:
undetectable		 5yw0A-5jcpB:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jho ELECTRONEUTRAL
SODIUM BICARBONATE
EXCHANGER 1

(Homo sapiens) 		PF07565
(Band_3_cyto) 		4 GLY A 304
LEU A  67
VAL A 252
GLU A  69
 None
 1.23A 5yw0A-5jhoA:
undetectable		 5yw0A-5jhoA:
21.16
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.
5ly3 ACTIN/ACTIN FAMILY
PROTEIN

(Pyrobaculum
calidifontis) 		PF00022
(Actin) 		4 GLY A  40
LEU A  63
VAL A  65
GLU A 106
 None
 1.39A 5yw0A-5ly3A:
undetectable		 5yw0A-5ly3A:
21.79
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.
5mmh HTH-TYPE
TRANSCRIPTIONAL
ACTIVATOR AMPR

(Pseudomonas
aeruginosa) 		PF03466
(LysR_substrate) 		4 GLY A  99
LEU A 141
VAL A 134
GLU A 139
 None
 1.40A 5yw0A-5mmhA:
undetectable		 5yw0A-5mmhA:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o34 ENOYL-COA HYDRATASE
CARB HOMOLOGUE

(Streptomyces
cattleya) 		no annotation 4 GLY A 166
LEU A 165
VAL A 224
GLU A 222
 None
 1.22A 5yw0A-5o34A:
undetectable		 5yw0A-5o34A:
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.
5t3p PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7

(Homo sapiens) 		PF00293
(NUDIX) 		4 GLY A 127
LEU A 128
VAL A 108
GLU A 106
 None
None
EDO  A 302 (-4.6A)
None
 1.22A 5yw0A-5t3pA:
undetectable		 5yw0A-5t3pA:
24.91
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.
5t7k AOAA13

(Aspergillus
oryzae) 		PF03067
(LPMO_10) 		4 GLY A  46
LEU A 225
VAL A  42
GLU A 125
 None
 1.21A 5yw0A-5t7kA:
undetectable		 5yw0A-5t7kA:
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.
5ugj 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 4 GLY A  48
LEU A  53
VAL A  51
GLU A  21
 None
 1.16A 5yw0A-5ugjA:
undetectable		 5yw0A-5ugjA:
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.
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 4 GLY A 261
LEU A 338
VAL A 336
GLU A 183
 None
 1.47A 5yw0A-5xstA:
undetectable		 5yw0A-5xstA:
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.
5z96 SHORT TRANSIENT
RECEPTOR POTENTIAL
CHANNEL 4

(Mus musculus) 		no annotation 4 GLY A 110
LEU A  83
VAL A 108
GLU A  81
 None
 1.48A 5yw0A-5z96A:
undetectable		 5yw0A-5z96A:
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.
6eti ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2

(Homo sapiens) 		no annotation 4 GLY A 197
LEU A 168
VAL A 164
GLU A 167
 None
 1.49A 5yw0A-6etiA:
undetectable		 5yw0A-6etiA:
undetectable