SIMILAR PATTERNS OF AMINO ACIDS FOR 3IK6_B_HCZB800

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.
1a5i PLASMINOGEN
ACTIVATOR

(Desmodus
rotundus) 		PF00089
(Trypsin) 		5 LEU A 209
ILE A  45
SER A 195
SER A 214
GLY A 196
 None
None
0GJ  A 245 (-1.4A)
None
None
 1.33A 3ik6B-1a5iA:
undetectable
3ik6E-1a5iA:
undetectable		 3ik6B-1a5iA:
20.79
3ik6E-1a5iA:
20.79
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.
1bh6 SUBTILISIN DY

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 LEU A 126
ILE A  31
SER A 109
SER A 105
GLY A 110
 1BH  A 300 (-4.0A)
None
None
None
None
 1.38A 3ik6B-1bh6A:
0.0
3ik6E-1bh6A:
0.0		 3ik6B-1bh6A:
22.45
3ik6E-1bh6A:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dab P.69 PERTACTIN

(Bordetella
pertussis) 		PF03212
(Pertactin) 		5 LEU A 417
ILE A 401
SER A 421
SER A 447
GLY A 423
 None
 1.42A 3ik6B-1dabA:
undetectable
3ik6E-1dabA:
undetectable		 3ik6B-1dabA:
17.26
3ik6E-1dabA:
17.26
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.
1euf DUODENASE

(Bos taurus) 		PF00089
(Trypsin) 		5 LEU A  53
ILE A 231
PRO A 124
SER A 126
SER A 236
 None
None
None
PO4  A 600 (-2.5A)
None
 1.36A 3ik6B-1eufA:
undetectable
3ik6E-1eufA:
undetectable		 3ik6B-1eufA:
21.01
3ik6E-1eufA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g0u PROTEASOME COMPONENT
PUP2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 LYS D 163
LEU D 137
ILE D 165
SER D 167
GLY D 166
 None
 1.40A 3ik6B-1g0uD:
undetectable
3ik6E-1g0uD:
0.0		 3ik6B-1g0uD:
20.60
3ik6E-1g0uD:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g0u PROTEASOME COMPONENT
PUP2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 LYS D 163
LEU D 137
SER D 167
SER D  35
GLY D 166
 None
 1.48A 3ik6B-1g0uD:
undetectable
3ik6E-1g0uD:
0.0		 3ik6B-1g0uD:
20.60
3ik6E-1g0uD:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h5q NADP-DEPENDENT
MANNITOL
DEHYDROGENASE

(Agaricus
bisporus) 		PF13561
(adh_short_C2) 		5 LEU A 136
ILE A 192
SER A  91
LYS A 141
GLY A 142
 None
 1.30A 3ik6B-1h5qA:
0.2
3ik6E-1h5qA:
0.5		 3ik6B-1h5qA:
20.29
3ik6E-1h5qA:
20.29
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.
1hyg L-LACTATE/MALATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 SER A  37
LEU A  69
ILE A   6
SER A   9
GLY A   7
 NAP  A 900 (-2.5A)
None
None
NAP  A 900 (-2.7A)
NAP  A 900 (-2.5A)
 1.12A 3ik6B-1hygA:
0.0
3ik6E-1hygA:
0.0		 3ik6B-1hygA:
22.12
3ik6E-1hygA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ldn L-LACTATE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 198
SER A 317
ILE A 190
SER A 273
GLY A 288
 None
 1.09A 3ik6B-1ldnA:
0.0
3ik6E-1ldnA:
undetectable		 3ik6B-1ldnA:
20.92
3ik6E-1ldnA:
20.92
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.
1lvl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LYS A 192
LEU A 225
ILE A 188
SER A 198
GLY A 187
 None
 1.24A 3ik6B-1lvlA:
0.0
3ik6E-1lvlA:
0.0		 3ik6B-1lvlA:
20.71
3ik6E-1lvlA:
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.
1pww LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		5 LEU A 129
ILE A 151
SER A 156
LYS A 153
GLY A 152
 None
 1.30A 3ik6B-1pwwA:
undetectable
3ik6E-1pwwA:
undetectable		 3ik6B-1pwwA:
17.43
3ik6E-1pwwA:
17.43
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.
1px5 2'-5'-OLIGOADENYLATE
SYNTHETASE 1

(Sus scrofa) 		PF01909
(NTP_transf_2)
PF10421
(OAS1_C) 		5 SER A 315
LEU A 235
ILE A 298
PRO A 296
GLY A 309
 None
 1.34A 3ik6B-1px5A:
undetectable
3ik6E-1px5A:
undetectable		 3ik6B-1px5A:
19.67
3ik6E-1px5A:
19.67
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPG-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00117
(GATase) 		5 LEU B 122
ILE B 187
PRO B 176
LYS B 186
GLY B 184
 None
 1.33A 3ik6B-1qdlB:
undetectable
3ik6E-1qdlB:
undetectable		 3ik6B-1qdlB:
21.69
3ik6E-1qdlB:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qr4 PROTEIN (TENASCIN)

(Gallus gallus) 		PF00041
(fn3) 		5 LEU A   6
ILE A  66
SER A  85
LYS A  83
GLY A  84
 None
 1.14A 3ik6B-1qr4A:
undetectable
3ik6E-1qr4A:
undetectable		 3ik6B-1qr4A:
22.69
3ik6E-1qr4A:
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.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		5 LEU A 127
ILE A 171
SER A  11
LYS A 173
GLY A 172
 None
 1.24A 3ik6B-1tcsA:
undetectable
3ik6E-1tcsA:
undetectable		 3ik6B-1tcsA:
22.73
3ik6E-1tcsA:
22.73
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.
1wdw TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Pyrococcus
furiosus) 		PF00290
(Trp_syntA) 		5 LEU A 238
ILE A 227
PRO A  16
LYS A 230
GLY A 231
 None
 1.24A 3ik6B-1wdwA:
undetectable
3ik6E-1wdwA:
undetectable		 3ik6B-1wdwA:
22.43
3ik6E-1wdwA:
22.43
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.
2bg9 ACETYLCHOLINE
RECEPTOR PROTEIN,
ALPHA CHAIN
ACETYLCHOLINE
RECEPTOR PROTEIN,
BETA CHAIN
ACETYLCHOLINE
RECEPTOR PROTEIN,
DELTA CHAIN

(Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 SER C 258
LEU A 251
ILE A 247
SER B 250
SER B 254
 None
 1.44A 3ik6B-2bg9C:
undetectable
3ik6E-2bg9C:
undetectable		 3ik6B-2bg9C:
21.14
3ik6E-2bg9C:
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.
2dre WATER-SOLUBLE
CHLOROPHYLL PROTEIN

(Lepidium
virginicum) 		PF00197
(Kunitz_legume) 		5 LEU A 158
SER A 149
ILE A 173
PRO A  25
SER A  27
 None
 1.43A 3ik6B-2dreA:
undetectable
3ik6E-2dreA:
undetectable		 3ik6B-2dreA:
23.75
3ik6E-2dreA:
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.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 LEU A 492
ILE A 300
SER A 295
SER A 485
GLY A 296
 None
 1.30A 3ik6B-2e0wA:
undetectable
3ik6E-2e0wA:
undetectable		 3ik6B-2e0wA:
19.38
3ik6E-2e0wA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0x GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 LEU B 492
ILE A 300
SER A 295
SER B 485
GLY A 296
 None
 1.31A 3ik6B-2e0xB:
undetectable
3ik6E-2e0xB:
undetectable		 3ik6B-2e0xB:
21.05
3ik6E-2e0xB:
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.
2f6i ATP-DEPENDENT CLP
PROTEASE, PUTATIVE

(Plasmodium
falciparum) 		PF00574
(CLP_protease) 		5 LEU A 199
SER A 232
ILE A 243
SER A 236
GLY A 240
 None
 1.45A 3ik6B-2f6iA:
undetectable
3ik6E-2f6iA:
undetectable		 3ik6B-2f6iA:
22.18
3ik6E-2f6iA:
22.18
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.
2fin RABBITPOX ENCODED CC
CHEMOKINE INHIBITOR

(Vaccinia virus) 		PF02250
(Orthopox_35kD) 		5 SER A 102
ILE A  26
PRO A  98
SER A 120
GLY A  25
 None
 1.47A 3ik6B-2finA:
undetectable
3ik6E-2finA:
undetectable		 3ik6B-2finA:
20.44
3ik6E-2finA:
20.44
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.
2fin RABBITPOX ENCODED CC
CHEMOKINE INHIBITOR

(Vaccinia virus) 		PF02250
(Orthopox_35kD) 		5 SER A 127
SER A 102
ILE A  26
PRO A  98
GLY A  25
 None
 1.42A 3ik6B-2finA:
undetectable
3ik6E-2finA:
undetectable		 3ik6B-2finA:
20.44
3ik6E-2finA:
20.44
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.
2grk EVM001

(Ectromelia
virus) 		PF02250
(Orthopox_35kD) 		5 SER A 116
ILE A  24
PRO A  87
SER A 109
GLY A  23
 None
 1.28A 3ik6B-2grkA:
undetectable
3ik6E-2grkA:
undetectable		 3ik6B-2grkA:
22.01
3ik6E-2grkA:
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.
2kin KINESIN

(Rattus
norvegicus) 		PF00225
(Kinesin) 		5 LEU B 292
ILE B 266
SER B 260
SER B 258
GLY B 263
 None
 1.43A 3ik6B-2kinB:
undetectable
3ik6E-2kinB:
undetectable		 3ik6B-2kinB:
19.77
3ik6E-2kinB:
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 LEU A 196
ILE A 136
SER A  90
LYS A 126
GLY A 125
 None
 1.09A 3ik6B-2quaA:
undetectable
3ik6E-2quaA:
undetectable		 3ik6B-2quaA:
17.91
3ik6E-2quaA:
17.91
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.
2rfb CYTOCHROME P450

(Picrophilus
torridus) 		PF00067
(p450) 		5 SER A 163
ILE A 122
PRO A 123
SER A 165
GLY A 121
 None
 1.37A 3ik6B-2rfbA:
undetectable
3ik6E-2rfbA:
undetectable		 3ik6B-2rfbA:
22.78
3ik6E-2rfbA:
22.78
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.
2whk MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Bacillus
subtilis) 		PF02156
(Glyco_hydro_26) 		5 LEU A  33
SER A  34
ILE A 325
SER A  60
GLY A 323
 None
 1.46A 3ik6B-2whkA:
undetectable
3ik6E-2whkA:
undetectable		 3ik6B-2whkA:
22.51
3ik6E-2whkA:
22.51
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.
3a79 TOLL-LIKE RECEPTOR
6, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 LEU B 281
SER B 306
ILE B 283
SER B 339
SER B 337
 None
None
None
NAG  B 951 (-3.3A)
NAG  B 951 ( 4.9A)
 1.37A 3ik6B-3a79B:
undetectable
3ik6E-3a79B:
undetectable		 3ik6B-3a79B:
17.45
3ik6E-3a79B:
17.45
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.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 SER A 711
LEU A 680
SER A 676
SER A 634
GLY A 704
 None
 1.36A 3ik6B-3aqpA:
undetectable
3ik6E-3aqpA:
undetectable		 3ik6B-3aqpA:
16.42
3ik6E-3aqpA:
16.42
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.
3cdi POLYNUCLEOTIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 SER A 460
LEU A 350
ILE A 556
SER A 465
GLY A 486
 None
 1.09A 3ik6B-3cdiA:
undetectable
3ik6E-3cdiA:
undetectable		 3ik6B-3cdiA:
16.67
3ik6E-3cdiA:
16.67
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.
3cux MALATE SYNTHASE

(Bacillus
anthracis) 		PF01274
(Malate_synthase) 		5 LYS A 480
LEU A 484
ILE A 422
SER A 450
GLY A 421
 None
 1.28A 3ik6B-3cuxA:
undetectable
3ik6E-3cuxA:
undetectable		 3ik6B-3cuxA:
18.71
3ik6E-3cuxA:
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.
3gme POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Escherichia
coli) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF03726
(PNPase) 		5 SER A 437
LEU A 327
ILE A 533
SER A 442
GLY A 463
 None
 1.08A 3ik6B-3gmeA:
undetectable
3ik6E-3gmeA:
undetectable		 3ik6B-3gmeA:
18.38
3ik6E-3gmeA:
18.38
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.
3gqj CELL INHIBITING
FACTOR (CIF)

(Photorhabdus
laumondii) 		PF16374
(CIF) 		5 LEU A 278
SER A 160
ILE A 276
SER A 235
GLY A 154
 None
 1.26A 3ik6B-3gqjA:
undetectable
3ik6E-3gqjA:
undetectable		 3ik6B-3gqjA:
21.00
3ik6E-3gqjA:
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.
3h3j L-LACTATE
DEHYDROGENASE 1

(Staphylococcus
aureus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 184
SER A 302
ILE A 176
SER A 258
GLY A 273
 None
 1.21A 3ik6B-3h3jA:
undetectable
3ik6E-3h3jA:
undetectable		 3ik6B-3h3jA:
22.35
3ik6E-3h3jA:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		6 ILE A  92
PRO A 105
SER A 108
SER A 217
LYS A 218
GLY A 219
 None
CYZ  A 265 (-3.9A)
CYZ  A 265 (-2.8A)
GOL  A 270 ( 3.0A)
None
None
 0.61A 3ik6B-3h6tA:
43.4
3ik6E-3h6tA:
43.5		 3ik6B-3h6tA:
100.00
3ik6E-3h6tA:
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.
3ka7 OXIDOREDUCTASE

(Methanosarcina
mazei) 		PF01593
(Amino_oxidase) 		5 LEU A  10
ILE A 198
PRO A 191
LYS A 196
GLY A 197
 None
 1.12A 3ik6B-3ka7A:
undetectable
3ik6E-3ka7A:
undetectable		 3ik6B-3ka7A:
20.56
3ik6E-3ka7A:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lft UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF04392
(ABC_sub_bind) 		5 ILE A 282
PRO A 166
SER A 317
LYS A 316
GLY A 315
 None
 1.33A 3ik6B-3lftA:
3.1
3ik6E-3lftA:
2.6		 3ik6B-3lftA:
24.92
3ik6E-3lftA:
24.92
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.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 LEU A 262
ILE A 248
SER A  43
SER A  40
GLY A 245
 None
None
TPP  A 700 ( 4.3A)
TPP  A 700 (-2.5A)
None
 1.19A 3ik6B-3mosA:
undetectable
3ik6E-3mosA:
undetectable		 3ik6B-3mosA:
20.36
3ik6E-3mosA:
20.36
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.
3nf2 PUTATIVE POLYPRENYL
SYNTHETASE

(Streptomyces
coelicolor) 		PF00348
(polyprenyl_synt) 		5 LEU A 301
SER A 298
ILE A 329
PRO A 286
GLY A 334
 None
 1.42A 3ik6B-3nf2A:
undetectable
3ik6E-3nf2A:
undetectable		 3ik6B-3nf2A:
19.94
3ik6E-3nf2A:
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.
3nnd POSSIBLE SUBSTRATE
BINDING PROTEIN OF
ABC TRANSPORTER
SYSTEM

(Rhodopseudomonas
palustris) 		no annotation 5 LYS B 212
ILE B 147
PRO B 249
LYS B 149
GLY B 148
 None
 0.78A 3ik6B-3nndB:
undetectable
3ik6E-3nndB:
undetectable		 3ik6B-3nndB:
20.42
3ik6E-3nndB:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4z TELOMERE LENGTH
REGULATION PROTEIN
TEL2

(Saccharomyces
cerevisiae) 		PF10193
(Telomere_reg-2) 		5 SER A 528
LEU A 542
ILE A 522
SER A 485
GLY A 520
 None
 1.39A 3ik6B-3o4zA:
undetectable
3ik6E-3o4zA:
undetectable		 3ik6B-3o4zA:
18.42
3ik6E-3o4zA:
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.
3orq N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
SYNTHETASE

(Staphylococcus
aureus) 		PF02222
(ATP-grasp)
PF02826
(2-Hacid_dh_C) 		5 LEU A 320
ILE A 337
SER A 341
LYS A 340
GLY A 339
 None
None
None
POP  A 377 (-2.9A)
None
 1.18A 3ik6B-3orqA:
undetectable
3ik6E-3orqA:
undetectable		 3ik6B-3orqA:
21.17
3ik6E-3orqA:
21.17
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.
3p0t UNCHARACTERIZED
PROTEIN

(Mycobacterium
avium) 		PF01230
(HIT) 		5 LEU A 130
ILE A  67
SER A  80
LYS A  69
GLY A  68
 None
 1.28A 3ik6B-3p0tA:
undetectable
3ik6E-3p0tA:
undetectable		 3ik6B-3p0tA:
21.97
3ik6E-3p0tA:
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.
3pqd L-LACTATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 183
SER A 302
ILE A 175
SER A 258
GLY A 273
 None
 1.18A 3ik6B-3pqdA:
undetectable
3ik6E-3pqdA:
undetectable		 3ik6B-3pqdA:
22.85
3ik6E-3pqdA:
22.85
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.
3py9 PROTEIN KINASE

(Staphylococcus
aureus) 		PF03793
(PASTA) 		5 LYS A  49
ILE A  13
SER A  16
LYS A  15
GLY A  14
 None
 1.19A 3ik6B-3py9A:
undetectable
3ik6E-3py9A:
undetectable		 3ik6B-3py9A:
25.08
3ik6E-3py9A:
25.08
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.
3qqi HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 LEU A  61
ILE A 267
SER A 265
SER A  85
GLY A 266
 None
 1.32A 3ik6B-3qqiA:
undetectable
3ik6E-3qqiA:
undetectable		 3ik6B-3qqiA:
19.00
3ik6E-3qqiA:
19.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u92 GLUTAMATE RECEPTOR,
IONOTROPIC KAINATE 3

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 ILE A  91
PRO A 104
SER A 212
LYS A 213
GLY A 214
 None
 0.65A 3ik6B-3u92A:
37.5
3ik6E-3u92A:
37.1		 3ik6B-3u92A:
51.34
3ik6E-3u92A:
51.34
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.
3uf6 LMO1369 PROTEIN

(Listeria
monocytogenes) 		PF01515
(PTA_PTB) 		5 SER A 199
LEU A 204
ILE A 208
SER A 222
GLY A 224
 None
 1.11A 3ik6B-3uf6A:
undetectable
3ik6E-3uf6A:
undetectable		 3ik6B-3uf6A:
21.22
3ik6E-3uf6A:
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.
3ux9 INTERFERON
ALPHA-1/13
SCFV ANTIBODY

(Homo sapiens) 		PF00143
(Interferon)
PF07686
(V-set) 		5 LEU B 213
ILE B 185
SER A  27
SER B 165
GLY B 187
 None
 1.46A 3ik6B-3ux9B:
undetectable
3ik6E-3ux9B:
undetectable		 3ik6B-3ux9B:
21.33
3ik6E-3ux9B:
21.33
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.
4a2q RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		5 LEU A 129
ILE A 137
PRO A 118
LYS A 152
GLY A 149
 None
 1.40A 3ik6B-4a2qA:
undetectable
3ik6E-4a2qA:
undetectable		 3ik6B-4a2qA:
15.65
3ik6E-4a2qA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		5 LEU A 129
ILE A 137
PRO A 118
LYS A 152
GLY A 149
 None
 1.46A 3ik6B-4a2wA:
undetectable
3ik6E-4a2wA:
undetectable		 3ik6B-4a2wA:
14.70
3ik6E-4a2wA:
14.70
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.
4ain GLYCINE BETAINE
TRANSPORTER BETP

(Corynebacterium
glutamicum) 		PF02028
(BCCT) 		5 SER A 336
ILE A 421
PRO A 162
SER A 414
GLY A 418
 None
 1.41A 3ik6B-4ainA:
undetectable
3ik6E-4ainA:
undetectable		 3ik6B-4ainA:
19.67
3ik6E-4ainA:
19.67
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.
4asl EPA1P

([Candida]
glabrata) 		PF10528
(GLEYA) 		5 LEU A 221
ILE A 219
SER A 254
SER A  62
GLY A 147
 None
 1.05A 3ik6B-4aslA:
undetectable
3ik6E-4aslA:
undetectable		 3ik6B-4aslA:
22.80
3ik6E-4aslA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4boo ACETYLCHOLINE
RECEPTOR BETA
SUBUNIT
ACETYLCHOLINE
RECEPTOR DELTA
SUBUNIT
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA

(Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 SER C 258
LEU A 251
ILE A 247
SER B 250
SER B 254
 None
 1.44A 3ik6B-4booC:
undetectable
3ik6E-4booC:
undetectable		 3ik6B-4booC:
19.55
3ik6E-4booC:
19.55
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.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		5 SER A 542
ILE A 551
PRO A 550
SER A 489
GLY A 548
 None
 1.48A 3ik6B-4bq4A:
undetectable
3ik6E-4bq4A:
undetectable		 3ik6B-4bq4A:
15.83
3ik6E-4bq4A:
15.83
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.
4cgn GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Leishmania
major) 		PF01233
(NMT)
PF02799
(NMT_C) 		5 SER A 221
ILE A 235
PRO A 236
SER A 233
GLY A 234
 None
 1.32A 3ik6B-4cgnA:
undetectable
3ik6E-4cgnA:
undetectable		 3ik6B-4cgnA:
20.40
3ik6E-4cgnA:
20.40
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.
4e4y SHORT CHAIN
DEHYDROGENASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		5 LYS A  93
SER A 101
SER A 140
ILE A  77
GLY A  76
 None
 1.23A 3ik6B-4e4yA:
undetectable
3ik6E-4e4yA:
undetectable		 3ik6B-4e4yA:
23.40
3ik6E-4e4yA:
23.40
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.
4gx8 DNA POLYMERASE III
SUBUNIT EPSILON,DNA
POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF02811
(PHP) 		5 LEU A  33
SER A  31
ILE A 107
PRO A 109
GLY A 102
 None
 1.33A 3ik6B-4gx8A:
undetectable
3ik6E-4gx8A:
undetectable		 3ik6B-4gx8A:
21.98
3ik6E-4gx8A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i6v AMIDOHYDROLASE 2

(Planctopirus
limnophila) 		PF02614
(UxaC) 		5 SER A 346
LEU A 299
SER A 323
ILE A 275
GLY A 276
 None
 1.43A 3ik6B-4i6vA:
undetectable
3ik6E-4i6vA:
undetectable		 3ik6B-4i6vA:
19.55
3ik6E-4i6vA:
19.55
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.
4itc LYS-GINGIPAIN W83

(Porphyromonas
gingivalis) 		PF07675
(Cleaved_Adhesin) 		5 LEU A1045
ILE A 993
PRO A 994
SER A 988
GLY A 992
 None
GAI  A1206 (-4.0A)
GOL  A1207 ( 4.9A)
None
None
 1.38A 3ik6B-4itcA:
undetectable
3ik6E-4itcA:
undetectable		 3ik6B-4itcA:
21.17
3ik6E-4itcA:
21.17
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.
4k3c OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

([Haemophilus]
ducreyi) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 LYS A 776
SER A 666
ILE A 782
PRO A 773
GLY A 661
 None
 1.11A 3ik6B-4k3cA:
undetectable
3ik6E-4k3cA:
undetectable		 3ik6B-4k3cA:
20.24
3ik6E-4k3cA:
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.
4ln1 L-LACTATE
DEHYDROGENASE 1

(Bacillus cereus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 183
SER A 302
ILE A 175
SER A 258
GLY A 273
 None
 1.24A 3ik6B-4ln1A:
undetectable
3ik6E-4ln1A:
undetectable		 3ik6B-4ln1A:
23.84
3ik6E-4ln1A:
23.84
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.
4mhc NUCLEOPORIN NUP157

(Saccharomyces
cerevisiae) 		PF08801
(Nucleoporin_N) 		5 LEU A 599
SER A 576
ILE A 506
PRO A 543
GLY A 505
 None
 1.22A 3ik6B-4mhcA:
undetectable
3ik6E-4mhcA:
undetectable		 3ik6B-4mhcA:
15.74
3ik6E-4mhcA:
15.74
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 SER A 100
ILE A 130
PRO A 131
SER A 128
GLY A 129
 None
 1.15A 3ik6B-4o1eA:
undetectable
3ik6E-4o1eA:
undetectable		 3ik6B-4o1eA:
21.36
3ik6E-4o1eA:
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ILE A 398
SER A 370
SER A 321
LYS A 320
GLY A 397
 None
 1.23A 3ik6B-4sliA:
undetectable
3ik6E-4sliA:
undetectable		 3ik6B-4sliA:
17.60
3ik6E-4sliA:
17.60
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ILE A 350
SER A 322
SER A 273
LYS A 272
GLY A 349
 None
 1.24A 3ik6B-4xhbA:
undetectable
3ik6E-4xhbA:
undetectable		 3ik6B-4xhbA:
17.42
3ik6E-4xhbA:
17.42
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.
4y9v PARTICLE-ASSOCIATED
LYASE

(Acinetobacter
virus AP22) 		no annotation 5 LYS A 654
ILE A 724
PRO A 656
SER A 722
GLY A 723
 None
 1.28A 3ik6B-4y9vA:
undetectable
3ik6E-4y9vA:
undetectable		 3ik6B-4y9vA:
16.01
3ik6E-4y9vA:
16.01
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.
4yai C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 SER A 193
LEU A 186
ILE A  21
SER A  15
GLY A  18
 NAI  A 500 (-2.7A)
None
None
NAI  A 500 (-2.6A)
None
 1.32A 3ik6B-4yaiA:
undetectable
3ik6E-4yaiA:
undetectable		 3ik6B-4yaiA:
21.50
3ik6E-4yaiA:
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.
4z0t OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Brucella ovis) 		PF00106
(adh_short) 		5 LYS A 111
SER A 119
SER A 160
ILE A  94
GLY A  93
 None
 1.29A 3ik6B-4z0tA:
undetectable
3ik6E-4z0tA:
undetectable		 3ik6B-4z0tA:
23.26
3ik6E-4z0tA:
23.26
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.
5bob TRANSLATION
INITIATION FACTOR 2
(IF-2 GTPASE)

(Streptococcus
suis) 		no annotation 5 LEU A 293
ILE A 287
SER A 317
SER A 189
GLY A 195
 None
 1.27A 3ik6B-5bobA:
undetectable
3ik6E-5bobA:
undetectable		 3ik6B-5bobA:
21.30
3ik6E-5bobA:
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.
5bs5 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		5 LEU A 477
SER A 481
ILE A 488
SER A 414
GLY A 487
 None
 1.38A 3ik6B-5bs5A:
undetectable
3ik6E-5bs5A:
undetectable		 3ik6B-5bs5A:
22.19
3ik6E-5bs5A:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c8p MOCVNH3 VARIANT

(Magnaporthe
oryzae) 		PF01476
(LysM)
PF08881
(CVNH) 		5 SER A  10
LEU A  21
SER A  35
ILE A 141
GLY A 142
 None
 1.34A 3ik6B-5c8pA:
undetectable
3ik6E-5c8pA:
undetectable		 3ik6B-5c8pA:
17.83
3ik6E-5c8pA:
17.83
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.
5g37 41.9 KDA
INSECTICIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05431
(Toxin_10) 		5 LEU A 229
SER A 227
ILE A 175
SER A 173
GLY A 174
 None
 1.15A 3ik6B-5g37A:
undetectable
3ik6E-5g37A:
undetectable		 3ik6B-5g37A:
20.90
3ik6E-5g37A:
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 5 LEU B 190
ILE B 188
SER B 164
SER B 336
GLY B 187
 None
 1.29A 3ik6B-5my0B:
undetectable
3ik6E-5my0B:
undetectable		 3ik6B-5my0B:
13.95
3ik6E-5my0B:
13.95
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.
5n8n EVPB FAMILY TYPE VI
SECRETION PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 SER B 186
ILE B 194
SER B 369
SER B 237
GLY B 241
 None
 1.16A 3ik6B-5n8nB:
undetectable
3ik6E-5n8nB:
undetectable		 3ik6B-5n8nB:
14.40
3ik6E-5n8nB:
14.40
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.
5nop ATTACHMENT
GLYCOPROTEIN

(Mojiang
henipavirus) 		PF00423
(HN) 		5 LEU A 465
SER A 483
ILE A 514
PRO A 516
SER A 518
 None
 1.39A 3ik6B-5nopA:
undetectable
3ik6E-5nopA:
undetectable		 3ik6B-5nopA:
19.62
3ik6E-5nopA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oqj SUPPRESSOR OF
STEM-LOOP PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 5 LEU 6 221
ILE 6 127
SER 6 183
SER 6 186
GLY 6 170
 None
 1.36A 3ik6B-5oqj6:
undetectable
3ik6E-5oqj6:
undetectable		 3ik6B-5oqj6:
13.90
3ik6E-5oqj6:
13.90
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.
5u0r DH270.UCA1 LIGHT
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER L  31
LEU L 100
SER L  92
ILE L  98
GLY L  95
 None
 1.41A 3ik6B-5u0rL:
undetectable
3ik6E-5u0rL:
undetectable		 3ik6B-5u0rL:
21.37
3ik6E-5u0rL:
21.37
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.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis) 		no annotation 5 LYS A  28
LEU A  32
SER A  34
ILE A 141
GLY A 338
 None
 0.93A 3ik6B-5uj1A:
undetectable
3ik6E-5uj1A:
undetectable		 3ik6B-5uj1A:
14.92
3ik6E-5uj1A:
14.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		5 ILE A 481
PRO A 494
SER A 497
SER A 729
GLY A 731
 None
 0.72A 3ik6B-5welA:
32.5
3ik6E-5welA:
32.9		 3ik6B-5welA:
66.93
3ik6E-5welA:
66.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		5 ILE A 481
PRO A 494
SER A 729
LYS A 730
GLY A 731
 None
 0.80A 3ik6B-5welA:
32.5
3ik6E-5welA:
32.9		 3ik6B-5welA:
66.93
3ik6E-5welA:
66.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		6 ILE A 481
PRO A 494
SER A 497
SER A 729
LYS A 730
GLY A 731
 None
CYZ  A1302 (-4.5A)
CYZ  A1302 (-3.2A)
None
GLU  A1301 ( 3.7A)
None
 0.69A 3ik6B-5weoA:
25.3
3ik6E-5weoA:
25.2		 3ik6B-5weoA:
66.93
3ik6E-5weoA:
66.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wy4 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 LEU A 193
SER A 197
ILE A 251
SER A 256
GLY A 252
 None
 1.46A 3ik6B-5wy4A:
undetectable
3ik6E-5wy4A:
undetectable		 3ik6B-5wy4A:
15.16
3ik6E-5wy4A:
15.16
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.
5x5y PROBABLE ATP-BINDING
COMPONENT OF ABC
TRANSPORTER

(Pseudomonas
aeruginosa) 		no annotation 5 LEU B   4
SER B  28
ILE B  80
LYS B 157
GLY B  79
 None
 1.37A 3ik6B-5x5yB:
undetectable
3ik6E-5x5yB:
undetectable		 3ik6B-5x5yB:
22.30
3ik6E-5x5yB:
22.30
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.
5xex POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
aureus) 		no annotation 5 SER A 441
LEU A 331
ILE A 537
SER A 446
GLY A 467
 PPV  A 603 (-2.7A)
None
None
None
None
 1.11A 3ik6B-5xexA:
undetectable
3ik6E-5xexA:
undetectable		 3ik6B-5xexA:
17.67
3ik6E-5xexA:
17.67
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.
5yjj POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
epidermidis) 		no annotation 5 SER A 441
LEU A 331
ILE A 537
SER A 446
GLY A 467
 MG  A 802 ( 3.6A)
None
None
None
None
 1.19A 3ik6B-5yjjA:
undetectable
3ik6E-5yjjA:
undetectable		 3ik6B-5yjjA:
18.72
3ik6E-5yjjA:
18.72
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.
5yzc GLYCOPROTEIN
F1,MEASLES VIRUS
FUSION PROTEIN

(Measles
morbillivirus) 		no annotation 5 LEU B 246
ILE B 265
PRO B 286
SER B 344
GLY B 264
 None
 1.30A 3ik6B-5yzcB:
undetectable
3ik6E-5yzcB:
undetectable		 3ik6B-5yzcB:
14.40
3ik6E-5yzcB:
14.40
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.
6bwc POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
CAPD

(Bacillus
thuringiensis) 		no annotation 5 LEU A 237
ILE A 178
PRO A 179
SER A 173
GLY A 172
 None
None
None
NAP  A 401 ( 2.8A)
None
 1.35A 3ik6B-6bwcA:
undetectable
3ik6E-6bwcA:
undetectable		 3ik6B-6bwcA:
17.49
3ik6E-6bwcA:
17.49
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.
6bxe VARIABLE LYMPHOCYTE
RECEPTOR DIVERSITY
REGION

(Petromyzon
marinus) 		no annotation 5 LEU A  54
ILE A  47
PRO A  23
SER A  42
GLY A  45
 None
 1.34A 3ik6B-6bxeA:
undetectable
3ik6E-6bxeA:
undetectable		 3ik6B-6bxeA:
14.40
3ik6E-6bxeA:
14.40
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.
6cmz DIHYDROLIPOYL
DEHYDROGENASE

(Burkholderia
cenocepacia) 		no annotation 5 LYS A 196
LEU A 229
ILE A 192
SER A 202
GLY A 191
 None
 1.18A 3ik6B-6cmzA:
undetectable
3ik6E-6cmzA:
undetectable		 3ik6B-6cmzA:
18.55
3ik6E-6cmzA:
18.55
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.
6d04 RETICULOCYTE BINDING
PROTEIN 2, PUTATIVE

(Plasmodium
vivax) 		no annotation 5 LYS E 576
LEU E 580
SER E 582
ILE E 567
PRO E 568
 None
 1.10A 3ik6B-6d04E:
undetectable
3ik6E-6d04E:
undetectable		 3ik6B-6d04E:
22.35
3ik6E-6d04E:
22.35
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.
6d6k POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Acinetobacter
baumannii) 		no annotation 5 SER A 439
LEU A 329
ILE A 535
SER A 444
GLY A 465
 None
 0.88A 3ik6B-6d6kA:
undetectable
3ik6E-6d6kA:
undetectable		 3ik6B-6d6kA:
15.64
3ik6E-6d6kA:
15.64