SIMILAR PATTERNS OF AMINO ACIDS FOR 4XDR_A_ADNA402_1

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.
1eiz FTSJ

(Escherichia
coli) 		PF01728
(FtsJ) 		5 PHE A  95
GLY A  59
ALA A  60
ILE A  79
ILE A  80
 None
SAM  A 301 (-3.6A)
None
None
None
 0.87A 4xdrA-1eizA:
undetectable		 4xdrA-1eizA:
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.
1h76 SEROTRANSFERRIN

(Sus scrofa) 		PF00405
(Transferrin) 		5 LEU A 659
ALA A 591
HIS A 594
ILE A 400
THR A 463
 None
None
FE  A 703 ( 3.4A)
None
CO3  A 701 (-4.3A)
 0.94A 4xdrA-1h76A:
0.0		 4xdrA-1h76A:
19.77
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.
1ktn 2-DEOXYRIBOSE-5-PHOS
PHATE ALDOLASE

(Escherichia
coli) 		PF01791
(DeoC) 		5 VAL A 138
GLY A 162
ALA A 161
ILE A 157
PRO A 106
 None
 0.94A 4xdrA-1ktnA:
0.0		 4xdrA-1ktnA:
22.60
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.
1lgy TRIACYLGLYCEROL
LIPASE

(Rhizopus niveus) 		PF01764
(Lipase_3) 		5 PHE A  80
VAL A 139
ALA A 154
ILE A 172
ILE A 140
 None
 0.98A 4xdrA-1lgyA:
0.0		 4xdrA-1lgyA:
20.87
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.
1mlz 7,8-DIAMINO-PELARGON
IC ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 LEU A 276
GLY A 112
ALA A 115
THR A 286
VAL A 106
 None
PLP  A 430 (-3.3A)
None
None
None
 1.02A 4xdrA-1mlzA:
0.0		 4xdrA-1mlzA:
23.35
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.
1nfi I-KAPPA-B-ALPHA

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 LEU E  78
HIS E  84
ILE E  83
ILE E  82
PRO E 114
 None
 0.96A 4xdrA-1nfiE:
0.0		 4xdrA-1nfiE:
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.
1rh1 COLICIN B

(Escherichia
coli) 		PF01024
(Colicin)
PF03515
(Cloacin) 		6 LEU A 158
VAL A 165
GLY A 162
ALA A 161
ILE A 269
PRO A 280
 None
 1.47A 4xdrA-1rh1A:
0.0		 4xdrA-1rh1A:
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.
1rzw PROTEIN AF2095(GR4)

(Archaeoglobus
fulgidus) 		PF01981
(PTH2) 		5 VAL A 107
ALA A  68
ILE A  96
THR A  75
VAL A  94
 None
 1.03A 4xdrA-1rzwA:
undetectable		 4xdrA-1rzwA:
17.54
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.
1uap PROCOLLAGEN
C-PROTEINASE
ENHANCER PROTEIN

(Homo sapiens) 		PF01759
(NTR) 		6 LEU A  92
GLY A  74
ALA A  75
PRO A 122
THR A  78
VAL A 116
 None
 1.46A 4xdrA-1uapA:
0.0		 4xdrA-1uapA:
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.
1uqw PUTATIVE BINDING
PROTEIN YLIB

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		5 PHE A  81
GLY A  38
ILE A 143
PRO A 145
THR A 162
 None
 0.96A 4xdrA-1uqwA:
1.7		 4xdrA-1uqwA:
21.75
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.
1vc4 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00218
(IGPS) 		5 LEU A 178
GLY A 174
ALA A 173
ILE A 169
THR A 143
 None
 1.03A 4xdrA-1vc4A:
undetectable		 4xdrA-1vc4A:
24.86
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.
1vki HYPOTHETICAL PROTEIN
ATU3699

(Agrobacterium
fabrum) 		PF04073
(tRNA_edit) 		5 PHE A 154
VAL A  63
GLY A 110
PRO A 162
THR A 158
 None
 0.99A 4xdrA-1vkiA:
undetectable		 4xdrA-1vkiA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vmk PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermotoga
maritima) 		PF01048
(PNP_UDP_1) 		5 ASP A 200
GLY A 175
ILE A 130
ILE A 131
VAL A 207
 None
 1.03A 4xdrA-1vmkA:
undetectable		 4xdrA-1vmkA:
19.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vrm HYPOTHETICAL PROTEIN
TM1553

(Thermotoga
maritima) 		PF02424
(ApbE) 		8 PHE A 130
ASP A 188
GLY A 190
HIS A 276
ILE A 277
PRO A 280
THR A 307
VAL A 311
 UNL  A   4 ( 4.4A)
UNL  A   4 (-3.2A)
UNL  A   4 (-3.8A)
UNL  A   4 (-3.3A)
UNL  A   4 ( 4.0A)
UNL  A   4 (-4.1A)
UNL  A   4 (-2.7A)
None
 0.69A 4xdrA-1vrmA:
37.4		 4xdrA-1vrmA:
31.44
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.
1wr8 PHOSPHOGLYCOLATE
PHOSPHATASE

(Pyrococcus
horikoshii) 		PF08282
(Hydrolase_3) 		5 LEU A 182
ASP A 181
GLY A 176
ALA A 193
ILE A 200
 None
 1.00A 4xdrA-1wr8A:
undetectable		 4xdrA-1wr8A:
21.61
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.
1xi9 PUTATIVE
TRANSAMINASE

(Pyrococcus
furiosus) 		PF00155
(Aminotran_1_2) 		5 GLY A 196
ALA A 195
ILE A 191
PRO A 220
VAL A 172
 None
 1.02A 4xdrA-1xi9A:
undetectable		 4xdrA-1xi9A:
22.70
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.
1z9d URIDYLATE KINASE

(Streptococcus
pyogenes) 		PF00696
(AA_kinase) 		5 GLY A  97
HIS A  43
ILE A  39
THR A 100
VAL A 131
 None
 1.00A 4xdrA-1z9dA:
undetectable		 4xdrA-1z9dA:
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.
1z9d URIDYLATE KINASE

(Streptococcus
pyogenes) 		PF00696
(AA_kinase) 		5 GLY A  97
HIS A  43
ILE A 129
THR A 100
VAL A 131
 None
 0.96A 4xdrA-1z9dA:
undetectable		 4xdrA-1z9dA:
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.
2d1y HYPOTHETICAL PROTEIN
TT0321

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 LEU A  38
ASP A  37
GLY A  13
ALA A  85
ILE A  87
 NAD  A1001 (-4.2A)
NAD  A1001 (-2.8A)
NAD  A1001 (-3.5A)
NAD  A1001 (-3.6A)
NAD  A1001 (-4.3A)
 0.89A 4xdrA-2d1yA:
undetectable		 4xdrA-2d1yA:
25.94
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.
2eq5 228AA LONG
HYPOTHETICAL
HYDANTOIN RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		5 VAL A  86
ASP A  83
GLY A 101
ALA A 100
ILE A  77
 None
 0.89A 4xdrA-2eq5A:
undetectable		 4xdrA-2eq5A:
22.97
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.
2ewm (S)-1-PHENYLETHANOL
DEHYDROGENASE

(Azoarcus) 		PF13561
(adh_short_C2) 		5 LEU A  39
ASP A  38
GLY A  14
ALA A  90
ILE A  92
 NAD  A 257 (-4.1A)
NAD  A 257 (-2.8A)
NAD  A 257 (-3.3A)
NAD  A 257 ( 4.0A)
None
 0.99A 4xdrA-2ewmA:
undetectable		 4xdrA-2ewmA:
22.16
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.
2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE

(Sus scrofa) 		PF05187
(ETF_QO)
PF13450
(NAD_binding_8) 		5 GLY A 217
ALA A 220
ILE A 170
ILE A 181
VAL A 178
 None
 0.98A 4xdrA-2gmhA:
undetectable		 4xdrA-2gmhA:
21.48
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.
2i44 SERINE-THREONINE
PHOSPHATASE 2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		5 ASP A 164
GLY A 163
ILE A 216
PRO A 214
VAL A 204
 None
 0.87A 4xdrA-2i44A:
1.1		 4xdrA-2i44A:
24.27
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.
2jjq UNCHARACTERIZED RNA
METHYLTRANSFERASE
PYRAB10780

(Pyrococcus
abyssi) 		PF05958
(tRNA_U5-meth_tr) 		5 LEU A 288
VAL A 295
GLY A 282
ILE A 274
VAL A 363
 None
 0.96A 4xdrA-2jjqA:
undetectable		 4xdrA-2jjqA:
23.99
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.
2nv0 GLUTAMINE
AMIDOTRANSFERASE
SUBUNIT PDXT

(Bacillus
subtilis) 		PF01174
(SNO) 		5 VAL A  29
GLY A  11
ALA A  12
HIS A  16
ILE A  17
 None
 1.00A 4xdrA-2nv0A:
undetectable		 4xdrA-2nv0A:
21.88
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.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ASP A 333
GLY A 292
ALA A 291
ILE A 288
THR A 273
 None
 1.00A 4xdrA-2qghA:
undetectable		 4xdrA-2qghA:
23.02
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.
2qy1 PECTATE LYASE II

(Xanthomonas
campestris) 		PF00544
(Pec_lyase_C) 		6 LEU A 141
GLY A 183
ALA A 215
ILE A 152
THR A 217
VAL A 189
 None
 1.38A 4xdrA-2qy1A:
undetectable		 4xdrA-2qy1A:
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.
2wm4 PUTATIVE CYTOCHROME
P450 124

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 GLY A 169
ALA A 168
ILE A 420
PRO A 314
THR A 277
 None
None
None
HEM  A 450 ( 4.2A)
None
 0.99A 4xdrA-2wm4A:
undetectable		 4xdrA-2wm4A:
24.40
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.
2xfs ORF12

(Streptomyces
clavuligerus) 		PF13354
(Beta-lactamase2) 		5 LEU A 270
VAL A 275
GLY A 172
HIS A 320
ILE A 324
 None
 1.02A 4xdrA-2xfsA:
undetectable		 4xdrA-2xfsA:
23.64
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.
3awd PUTATIVE POLYOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 LEU A  42
ASP A  41
GLY A  17
ALA A  95
ILE A  97
 None
 0.93A 4xdrA-3awdA:
undetectable		 4xdrA-3awdA:
23.14
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.
3cwv DNA GYRASE, B
SUBUNIT, TRUNCATED

(Myxococcus
xanthus) 		PF00204
(DNA_gyraseB) 		5 LEU A 352
VAL A 295
GLY A 277
ALA A 278
VAL A 227
 None
 1.02A 4xdrA-3cwvA:
undetectable		 4xdrA-3cwvA:
23.74
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.
3eb8 CYSTEINE
PROTEASE-LIKE VIRA

(Shigella
flexneri) 		PF06872
(EspG) 		5 VAL A 154
GLY A 357
HIS A 352
ILE A 395
ILE A 396
 None
 0.93A 4xdrA-3eb8A:
undetectable		 4xdrA-3eb8A:
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.
3ed0 (3R)-HYDROXYMYRISTOY
L-ACYL CARRIER
PROTEIN DEHYDRATASE

(Helicobacter
pylori) 		PF07977
(FabA) 		5 VAL A  30
GLY A  78
ILE A  20
ILE A  17
THR A  84
 None
 0.91A 4xdrA-3ed0A:
undetectable		 4xdrA-3ed0A:
18.42
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.
3eh0 UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF04613
(LpxD)
PF14602
(Hexapep_2) 		5 LEU A 154
GLY A 139
ALA A 122
ILE A 160
VAL A 128
 None
 0.87A 4xdrA-3eh0A:
undetectable		 4xdrA-3eh0A:
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 VAL A 475
GLY A 518
ALA A 519
ILE A 473
THR A 522
 None
 0.84A 4xdrA-3eqnA:
undetectable		 4xdrA-3eqnA:
19.29
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 GLY A 241
ALA A 240
PRO A 230
THR A 277
VAL A 232
 None
 0.88A 4xdrA-3go7A:
undetectable		 4xdrA-3go7A:
24.72
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.
3h3e UNCHARACTERIZED
PROTEIN TM1679

(Thermotoga
maritima) 		PF00753
(Lactamase_B) 		5 LEU A  81
GLY A  92
ALA A  93
ILE A  55
VAL A  74
 None
 0.98A 4xdrA-3h3eA:
undetectable		 4xdrA-3h3eA:
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.
3h5q PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE

(Staphylococcus
aureus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 VAL A 407
GLY A 362
ALA A 363
ILE A 247
VAL A  87
 None
 1.02A 4xdrA-3h5qA:
undetectable		 4xdrA-3h5qA:
24.28
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.
3id3 REGULATOR OF SIGMA E
PROTEASE

(Escherichia
coli) 		PF00595
(PDZ) 		5 LEU A 226
VAL A 229
GLY A 239
ALA A 238
VAL A 264
 None
 1.02A 4xdrA-3id3A:
undetectable		 4xdrA-3id3A:
15.15
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.
3ipo PUTATIVE THIOSULFATE
SULFURTRANSFERASE
YNJE

(Escherichia
coli) 		PF00581
(Rhodanese) 		5 VAL A 251
GLY A 247
ALA A 246
ILE A 242
VAL A 197
 None
 0.91A 4xdrA-3ipoA:
undetectable		 4xdrA-3ipoA:
24.09
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.
3iuv UNCHARACTERIZED TETR
FAMILY PROTEIN

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 LEU A  29
VAL A  20
ALA A  35
ILE A  13
THR A  45
 None
 0.87A 4xdrA-3iuvA:
undetectable		 4xdrA-3iuvA:
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.
3k1t GLUTAMATE--CYSTEINE
LIGASE GSHA

(Methylobacillus
flagellatus) 		PF08886
(GshA) 		5 LEU A  97
VAL A 128
GLY A 125
ALA A 124
ILE A 120
 None
 1.02A 4xdrA-3k1tA:
undetectable		 4xdrA-3k1tA:
24.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kh8 MAOC-LIKE
DEHYDRATASE

(Phytophthora
capsici) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		5 PHE A 271
GLY A 222
ALA A 224
ILE A 282
THR A 259
 None
 1.02A 4xdrA-3kh8A:
undetectable		 4xdrA-3kh8A:
22.37
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.
3lad DIHYDROLIPOAMIDE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  12
ALA A  11
ILE A 109
ILE A  20
VAL A 114
 FAD  A 480 (-3.1A)
None
None
None
None
 0.90A 4xdrA-3ladA:
undetectable		 4xdrA-3ladA:
23.78
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.
3lm7 PUTATIVE
4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE /
2-DEHYDRO-3-DEOXYPHO
SPHOGLUCONATE
ALDOLASE

(Yersinia
enterocolitica) 		PF07071
(KDGP_aldolase) 		5 LEU A 187
VAL A 213
GLY A 209
ALA A 208
ILE A 204
 None
 0.76A 4xdrA-3lm7A:
undetectable		 4xdrA-3lm7A:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mcp GLUCOKINASE

(Parabacteroides
distasonis) 		PF00480
(ROK) 		5 PHE A 158
VAL A 340
GLY A 247
ALA A 246
ILE A 274
 None
 0.95A 4xdrA-3mcpA:
undetectable		 4xdrA-3mcpA:
22.48
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.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA

(Archaeoglobus
fulgidus) 		PF00037
(Fer4)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 VAL B 185
GLY B 194
ALA B 264
ILE B 266
VAL B 303
 None
 1.02A 4xdrA-3mm5B:
undetectable		 4xdrA-3mm5B:
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.
3nix FLAVOPROTEIN/DEHYDRO
GENASE

(Cytophaga
hutchinsonii) 		PF01494
(FAD_binding_3) 		5 LEU A 292
VAL A 291
GLY A 315
ALA A  16
PRO A 169
 None
None
None
FAD  A 501 (-3.2A)
None
 1.02A 4xdrA-3nixA:
undetectable		 4xdrA-3nixA:
20.90
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.
3pdg FIBRONECTIN(III)-LIK
E MODULE

(Ruminiclostridium
thermocellum) 		no annotation 6 ASP A  18
GLY A  57
ALA A  58
ILE A  21
PRO A   7
VAL A  84
 None
 1.24A 4xdrA-3pdgA:
undetectable		 4xdrA-3pdgA:
15.88
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.
3pdk PHOSPHOGLUCOSAMINE
MUTASE

(Bacillus
anthracis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		6 PHE A 112
GLY A  81
ILE A  44
ILE A  45
THR A  86
VAL A  43
 None
 1.28A 4xdrA-3pdkA:
2.5		 4xdrA-3pdkA:
24.23
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.
3pnd THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE

(Salmonella
enterica) 		PF02424
(ApbE) 		6 VAL A 128
ASP A 181
ILE A 272
PRO A 274
THR A 302
VAL A 306
 FAD  A 500 ( 4.6A)
FAD  A 500 (-3.2A)
FAD  A 500 (-4.5A)
FAD  A 500 ( 4.6A)
None
None
 0.50A 4xdrA-3pndA:
15.9		 4xdrA-3pndA:
28.53
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.
3q58 N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Salmonella
enterica) 		PF04131
(NanE) 		5 LEU A 174
GLY A 200
ALA A 201
ILE A 182
ILE A 150
 None
 0.97A 4xdrA-3q58A:
undetectable		 4xdrA-3q58A:
22.87
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.
3svt SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
ulcerans) 		PF13561
(adh_short_C2) 		5 VAL A 167
GLY A  96
ALA A  95
THR A  13
VAL A  91
 None
 0.91A 4xdrA-3svtA:
undetectable		 4xdrA-3svtA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3two MANNITOL
DEHYDROGENASE

(Helicobacter
pylori) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 158
VAL A 303
GLY A  87
ALA A  67
PRO A 313
 None
 1.00A 4xdrA-3twoA:
undetectable		 4xdrA-3twoA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v78 PROBABLE
TRANSCRIPTIONAL
REGULATORY PROTEIN
(PROBABLY
DEOR-FAMILY)

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N) 		5 LEU A  35
VAL A  26
ALA A  41
ILE A  19
THR A  52
 None
 1.03A 4xdrA-3v78A:
undetectable		 4xdrA-3v78A:
24.71
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.
3vv3 DESEASIN MCP-01

(Pseudoalteromonas
sp. SM9913) 		PF00082
(Peptidase_S8) 		5 LEU A 298
GLY A 247
ALA A 248
ILE A  28
VAL A 125
 None
 0.83A 4xdrA-3vv3A:
undetectable		 4xdrA-3vv3A:
23.54
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.
4a0h ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3)
PF13500
(AAA_26) 		5 LEU A 646
GLY A 431
ALA A 434
THR A 656
VAL A 425
 None
PLP  A1644 (-3.0A)
None
None
None
 1.01A 4xdrA-4a0hA:
undetectable		 4xdrA-4a0hA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b45 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 LEU A 115
VAL A  99
GLY A 108
ILE A   6
VAL A  52
 None
None
GSP  A1342 (-4.0A)
None
None
 1.03A 4xdrA-4b45A:
undetectable		 4xdrA-4b45A:
25.50
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 PHE B 308
LEU A 352
GLY A 326
ILE B 304
THR B 328
 None
 0.90A 4xdrA-4cakB:
undetectable		 4xdrA-4cakB:
18.50
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.
4gqa NAD BINDING
OXIDOREDUCTASE

(Klebsiella
pneumoniae) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A  58
ALA A  59
HIS A  38
ILE A   7
VAL A  75
 None
 0.95A 4xdrA-4gqaA:
undetectable		 4xdrA-4gqaA:
24.42
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.
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 LEU A 207
GLY A 201
ALA A 200
ILE A 196
THR A  76
 None
 1.01A 4xdrA-4i3uA:
undetectable		 4xdrA-4i3uA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jbh ALCOHOL
DEHYDROGENASE (ZINC)

(Pyrobaculum
aerophilum) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 213
GLY A 209
ALA A 208
ILE A 204
VAL A 324
 None
 0.87A 4xdrA-4jbhA:
undetectable		 4xdrA-4jbhA:
24.00
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.
4l3w LIPASE

(Rhizopus
microsporus) 		PF01764
(Lipase_3) 		5 PHE A 107
VAL A 166
ALA A 181
ILE A 199
ILE A 167
 None
 0.98A 4xdrA-4l3wA:
undetectable		 4xdrA-4l3wA:
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.
4lhs UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF14606
(Lipase_GDSL_3)
PF14607
(GxDLY) 		5 VAL A 124
ASP A 110
ILE A 126
PRO A 127
THR A 102
 None
 1.01A 4xdrA-4lhsA:
undetectable		 4xdrA-4lhsA:
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.
4lkr PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		5 VAL A  70
GLY A 187
ALA A 189
ILE A  77
VAL A  82
 None
 0.98A 4xdrA-4lkrA:
undetectable		 4xdrA-4lkrA:
19.78
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.
4lom IMIDAZOLEGLYCEROL-PH
OSPHATE DEHYDRATASE

(Mycobacterium
tuberculosis) 		PF00475
(IGPD) 		6 LEU A  49
VAL A  38
ASP A  46
GLY A  41
ILE A  24
THR A  75
 None
 1.30A 4xdrA-4lomA:
2.6		 4xdrA-4lomA:
22.32
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.
4nbr HYPOTHETICAL
3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 LEU A  51
ASP A  50
GLY A  26
ALA A 102
ILE A 104
 None
 0.85A 4xdrA-4nbrA:
undetectable		 4xdrA-4nbrA:
22.92
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.
4nbt 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Acholeplasma
laidlawii) 		PF13561
(adh_short_C2) 		5 LEU A  38
ASP A  37
GLY A  13
ALA A  82
ILE A  84
 NAD  A 301 (-4.4A)
NAD  A 301 (-2.5A)
NAD  A 301 (-3.0A)
NAD  A 301 (-3.6A)
NAD  A 301 ( 4.5A)
 1.01A 4xdrA-4nbtA:
undetectable		 4xdrA-4nbtA:
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.
4nbw SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Plesiocystis
pacifica) 		PF13561
(adh_short_C2) 		5 LEU A  44
ASP A  43
GLY A  19
ALA A  97
ILE A  99
 NAD  A 301 (-4.3A)
NAD  A 301 (-2.4A)
NAD  A 301 (-3.2A)
NAD  A 301 (-3.8A)
NAD  A 301 ( 4.6A)
 0.96A 4xdrA-4nbwA:
undetectable		 4xdrA-4nbwA:
25.29
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.
4ne4 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(PROLINE/GLYCINE/BET
AINE)

(Agrobacterium
fabrum) 		PF04069
(OpuAC) 		5 LEU A  29
VAL A  10
ILE A  24
ILE A  25
VAL A 248
 None
 1.02A 4xdrA-4ne4A:
undetectable		 4xdrA-4ne4A:
23.45
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.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		5 GLY A 109
ALA A 110
ILE A 157
ILE A 159
THR A 142
 2F6  A 301 (-3.6A)
None
None
None
None
 0.93A 4xdrA-4p58A:
undetectable		 4xdrA-4p58A:
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.
4qav 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Neisseria
meningitidis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 VAL A  94
GLY A 252
ALA A 253
THR A   9
VAL A 241
 None
 0.93A 4xdrA-4qavA:
undetectable		 4xdrA-4qavA:
23.67
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 LEU A2382
GLY A2386
ILE A2400
ILE A2402
PRO A2286
 None
 0.92A 4xdrA-4rh7A:
undetectable		 4xdrA-4rh7A:
7.59
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.
4rzi 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Synechocystis
sp. PCC 6803) 		no annotation 5 VAL B 154
GLY B  84
ALA B  83
THR B  14
VAL B  79
 None
 1.03A 4xdrA-4rziB:
undetectable		 4xdrA-4rziB:
23.32
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.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 LEU A  95
VAL A 112
GLY A 108
ALA A 107
VAL A  23
 None
 0.84A 4xdrA-4twiA:
undetectable		 4xdrA-4twiA:
20.94
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.
4w8i PROBABLE
SPHINGOSINE-1-PHOSPH
ATE LYASE

(Legionella
pneumophila) 		PF00282
(Pyridoxal_deC) 		5 PHE A 336
LEU A 333
GLY A 362
HIS A 505
ILE A 430
 None
 0.99A 4xdrA-4w8iA:
undetectable		 4xdrA-4w8iA:
20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xdt FAD:PROTEIN FMN
TRANSFERASE

(Treponema
pallidum) 		PF02424
(ApbE) 		12 PHE A  97
LEU A 101
VAL A 105
ASP A 159
GLY A 161
ALA A 162
HIS A 256
ILE A 257
ILE A 258
PRO A 260
THR A 288
VAL A 292
 FAD  A 401 (-3.4A)
FAD  A 401 (-4.7A)
FAD  A 401 ( 3.9A)
FAD  A 401 (-2.3A)
FAD  A 401 (-3.2A)
FAD  A 401 ( 3.2A)
FAD  A 401 (-3.4A)
FAD  A 401 (-4.3A)
FAD  A 401 (-4.4A)
EDO  A 414 ( 3.6A)
FAD  A 401 ( 3.1A)
EDO  A 414 (-4.2A)
 0.29A 4xdrA-4xdtA:
54.7		 4xdrA-4xdtA:
99.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgx FAD:PROTEIN FMN
TRANSFERASE

(Escherichia
coli) 		PF02424
(ApbE) 		5 ASP A 163
ILE A 254
PRO A 256
THR A 284
VAL A 288
 ADP  A 403 (-3.0A)
ADP  A 403 (-4.5A)
ADP  A 403 ( 4.1A)
MG  A 401 (-3.6A)
ADP  A 403 ( 4.9A)
 0.53A 4xdrA-4xgxA:
14.8		 4xdrA-4xgxA:
27.27
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.
4xgx FAD:PROTEIN FMN
TRANSFERASE

(Escherichia
coli) 		PF02424
(ApbE) 		5 VAL A 110
ILE A 254
PRO A 256
THR A 284
VAL A 288
 ADP  A 403 ( 3.7A)
ADP  A 403 (-4.5A)
ADP  A 403 ( 4.1A)
MG  A 401 (-3.6A)
ADP  A 403 ( 4.9A)
 0.69A 4xdrA-4xgxA:
14.8		 4xdrA-4xgxA:
27.27
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.
4yai C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 ASP A  36
GLY A  12
ALA A  92
ILE A  94
PRO A 203
 NAI  A 500 (-2.2A)
NAI  A 500 (-2.8A)
NAI  A 500 (-3.7A)
NAI  A 500 ( 4.7A)
NAI  A 500 ( 4.7A)
 0.78A 4xdrA-4yaiA:
undetectable		 4xdrA-4yaiA:
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.
4yzz TRAP TRANSPORTER
SOLUTE BINDING
PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		5 LEU A 226
ASP A 223
GLY A 219
ILE A  49
THR A  48
 None
 0.93A 4xdrA-4yzzA:
undetectable		 4xdrA-4yzzA:
21.89
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.
5c5y DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Colwellia
psychrerythraea) 		PF01791
(DeoC) 		5 VAL A 137
GLY A 161
ALA A 160
ILE A 156
PRO A 106
 None
GOL  A 303 ( 3.8A)
None
None
None
 0.91A 4xdrA-5c5yA:
undetectable		 4xdrA-5c5yA:
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.
5da8 60 KDA CHAPERONIN

(Chlorobaculum
tepidum) 		PF00118
(Cpn60_TCP1) 		5 LEU A 489
VAL A 413
ASP A 476
GLY A 475
ILE A 420
 None
 0.98A 4xdrA-5da8A:
undetectable		 4xdrA-5da8A:
22.07
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.
5e6s INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 LEU A   3
ASP A   4
GLY A   7
ALA A   8
VAL A 576
 None
 0.98A 4xdrA-5e6sA:
undetectable		 4xdrA-5e6sA:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ei0 SERPIN A12

(Homo sapiens) 		PF00079
(Serpin) 		5 GLY A  89
ALA A  90
ILE A 331
THR A  94
VAL A 328
 None
 1.00A 4xdrA-5ei0A:
undetectable		 4xdrA-5ei0A:
20.53
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.
5gtq LUCIFERIN
REGENERATING ENZYME

(Photinus
pyralis) 		PF08450
(SGL) 		5 PHE A 227
GLY A 273
ALA A 272
ILE A 249
THR A 255
 MPD  A 405 (-3.6A)
None
None
None
None
 0.92A 4xdrA-5gtqA:
undetectable		 4xdrA-5gtqA:
23.46
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.
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		6 PHE A 208
GLY A  90
ALA A  89
ILE A  67
ILE A 221
THR A 207
 None
 1.22A 4xdrA-5hxwA:
1.1		 4xdrA-5hxwA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ilg PHOTORECEPTOR
DEHYDROGENASE,
ISOFORM C

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 LEU A  38
ASP A  37
GLY A  12
ALA A  91
ILE A  93
 NAD  A 302 (-4.2A)
NAD  A 302 ( 2.9A)
NAD  A 302 (-3.2A)
NAD  A 302 (-3.9A)
MG  A 301 ( 4.8A)
 0.92A 4xdrA-5ilgA:
undetectable		 4xdrA-5ilgA:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 GLY A  93
ALA A  94
ILE A 151
THR A  72
VAL A 153
 None
 0.92A 4xdrA-5jydA:
undetectable		 4xdrA-5jydA:
21.85
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.
5jyg ACTIN-LIKE ATPASE

(Magnetospirillum
magneticum) 		PF06723
(MreB_Mbl) 		6 VAL A 211
ASP A 193
GLY A 189
ALA A 164
THR A  20
VAL A  38
 None
None
None
ADP  A 402 (-3.4A)
ADP  A 402 (-3.4A)
None
 1.19A 4xdrA-5jygA:
undetectable		 4xdrA-5jygA:
25.38
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.
5k1r BURKHOLDERIA
PSEUDOMALLEI
SPHINGOSINE-1-PHOSPH
ATE LYASE BPSS2021

(Burkholderia
pseudomallei) 		PF00282
(Pyridoxal_deC) 		6 PHE A 162
VAL A 185
ASP A 214
GLY A 203
ILE A 153
VAL A 173
 None
 1.50A 4xdrA-5k1rA:
undetectable		 4xdrA-5k1rA:
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.
5ktk POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF08659
(KR) 		5 LEU A 351
GLY A 323
ALA A 322
THR A 224
VAL A 318
 None
NDP  A 601 (-3.5A)
NDP  A 601 (-3.5A)
None
None
 1.00A 4xdrA-5ktkA:
undetectable		 4xdrA-5ktkA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ly3 ACTIN/ACTIN FAMILY
PROTEIN

(Pyrobaculum
calidifontis) 		PF00022
(Actin) 		5 LEU A 351
GLY A 354
ALA A 355
ILE A 187
VAL A 326
 None
ADP  A 501 (-3.1A)
ADP  A 501 (-4.8A)
None
None
 0.95A 4xdrA-5ly3A:
undetectable		 4xdrA-5ly3A:
23.60
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.
5mg5 HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Pseudomonas
protegens) 		no annotation 5 LEU A  58
GLY A 141
ALA A 278
PRO A  16
VAL A 272
 None
 1.00A 4xdrA-5mg5A:
undetectable		 4xdrA-5mg5A:
12.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mgy FAD:PROTEIN FMN
TRANSFERASE

(Pseudomonas
stutzeri) 		no annotation 6 PHE H 124
LEU H 128
ASP H 180
PRO H 273
THR H 301
VAL H 305
 None
None
None
None
MG  H 401 (-3.6A)
None
 0.80A 4xdrA-5mgyH:
13.9		 4xdrA-5mgyH:
31.55
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 5 LEU A1264
GLY A1258
ALA A1259
ILE A 935
THR A 927
 None
 0.99A 4xdrA-5ng6A:
undetectable		 4xdrA-5ng6A:
13.46
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.
5o9h C5A ANAPHYLATOXIN
CHEMOTACTIC RECEPTOR
1

(Homo sapiens) 		no annotation 5 LEU A 323
GLY A 304
ALA A 303
ILE A 299
VAL A 247
 None
None
OLA  A 414 ( 4.3A)
OLA  A 414 ( 4.2A)
None
 0.91A 4xdrA-5o9hA:
undetectable		 4xdrA-5o9hA:
16.21
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.
5xwq FUNGAL CHITINASE
FROM RHIZOMUCOR
MIEHEI (NATIVE
PROTEIN)

(Rhizomucor
miehei) 		no annotation 5 VAL A 278
GLY A 267
ALA A 268
ILE A 384
THR A 387
 None
 1.02A 4xdrA-5xwqA:
undetectable		 4xdrA-5xwqA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c1q SOLUBLE CYTOCHROME
B562, C5A
ANAPHYLATOXIN
CHEMOTACTIC RECEPTOR
1 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 LEU B 409
GLY B 390
ALA B 389
ILE B 385
VAL B 333
 None
 0.99A 4xdrA-6c1qB:
undetectable		 4xdrA-6c1qB:
14.46
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.
6d9y SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		no annotation 5 LEU A  40
ASP A  39
GLY A  15
ALA A  92
ILE A  94
 None
 1.00A 4xdrA-6d9yA:
undetectable		 4xdrA-6d9yA:
12.94