SIMILAR PATTERNS OF AMINO ACIDS FOR 1C9S_O_TRPO81_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.
1k7j PROTEIN YCIO

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC) 		5 GLY A 120
THR A 182
THR A  98
ILE A 100
SER A 144
 None
None
SO4  A 207 ( 4.9A)
None
SO4  A 207 (-2.6A)
 1.48A 1c9sO-1k7jA:
0.0
1c9sP-1k7jA:
0.0		 1c9sO-1k7jA:
18.93
1c9sP-1k7jA:
18.93
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 GLY A 412
ALA A 510
THR A 500
THR A 417
SER A 245
 None
None
None
TRA  A 866 (-4.0A)
TRA  A 866 (-2.6A)
 1.07A 1c9sO-1l5jA:
undetectable
1c9sP-1l5jA:
undetectable		 1c9sO-1l5jA:
7.07
1c9sP-1l5jA:
7.07
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.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		5 THR A 688
HIS A 652
THR A 655
ILE A 679
THR A 591
 None
 1.36A 1c9sO-1lzxA:
undetectable
1c9sP-1lzxA:
undetectable		 1c9sO-1lzxA:
10.02
1c9sP-1lzxA:
10.02
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.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		5 THR A 457
HIS A 421
THR A 424
ILE A 448
THR A 360
 None
 1.35A 1c9sO-1m9qA:
0.0
1c9sP-1m9qA:
0.0		 1c9sO-1m9qA:
9.88
1c9sP-1m9qA:
9.88
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.
1mio NITROGENASE
MOLYBDENUM IRON
PROTEIN (BETA CHAIN)

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		5 GLY B 156
ALA B 151
THR B 139
HIS B 103
THR B 137
 None
 1.29A 1c9sO-1mioB:
0.0
1c9sP-1mioB:
undetectable		 1c9sO-1mioB:
9.76
1c9sP-1mioB:
9.76
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.
1n0w DNA REPAIR PROTEIN
RAD51 HOMOLOG 1

(Homo sapiens) 		PF08423
(Rad51) 		5 GLY A 116
ALA A 262
THR A 123
ILE A 102
SER A 121
 MG  A 401 (-3.8A)
None
None
None
None
 1.26A 1c9sO-1n0wA:
undetectable
1c9sP-1n0wA:
0.0		 1c9sO-1n0wA:
14.40
1c9sP-1n0wA:
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.
1ps9 2,4-DIENOYL-COA
REDUCTASE

(Escherichia
coli) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 GLY A 248
THR A 272
THR A 247
ILE A 249
THR A 230
 None
 1.38A 1c9sO-1ps9A:
undetectable
1c9sP-1ps9A:
undetectable		 1c9sO-1ps9A:
8.10
1c9sP-1ps9A:
8.10
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.
1v1p EXOTOXIN 1

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		5 GLY A 203
THR A 112
THR A 114
ILE A 204
SER A 198
 None
 1.43A 1c9sO-1v1pA:
undetectable
1c9sP-1v1pA:
undetectable		 1c9sO-1v1pA:
19.02
1c9sP-1v1pA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9c PRECORRIN-8X METHYL
MUTASE

(Thermus
thermophilus) 		PF02570
(CbiC) 		5 GLY A 188
ALA A 196
THR A  49
THR A 183
THR A  40
 None
 1.15A 1c9sO-1v9cA:
undetectable
1c9sP-1v9cA:
undetectable		 1c9sO-1v9cA:
19.25
1c9sP-1v9cA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vpx PROTEIN
(TRANSALDOLASE (EC
2.2.1.2))

(Thermotoga
maritima) 		PF00923
(TAL_FSA) 		5 GLY A  90
ALA A 121
THR A 104
ILE A  91
SER A  98
 None
 1.38A 1c9sO-1vpxA:
undetectable
1c9sP-1vpxA:
undetectable		 1c9sO-1vpxA:
18.53
1c9sP-1vpxA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 ALA A  23
HIS A 480
THR A 252
ILE A  13
SER A 495
 None
None
FAD  A 803 (-4.6A)
None
None
 1.36A 1c9sO-1yy5A:
undetectable
1c9sP-1yy5A:
undetectable		 1c9sO-1yy5A:
9.73
1c9sP-1yy5A:
9.73
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.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 GLY A  15
ALA A  23
THR A 252
ILE A  13
SER A 495
 FAD  A 803 (-3.2A)
None
FAD  A 803 (-4.6A)
None
None
 1.02A 1c9sO-1yy5A:
undetectable
1c9sP-1yy5A:
undetectable		 1c9sO-1yy5A:
9.73
1c9sP-1yy5A:
9.73
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.
1zbr CONSERVED
HYPOTHETICAL PROTEIN

(Porphyromonas
gingivalis) 		PF04371
(PAD_porph) 		5 GLY A 326
HIS A 325
ALA A 275
THR A 211
HIS A 208
 None
 1.34A 1c9sO-1zbrA:
undetectable
1c9sP-1zbrA:
undetectable		 1c9sO-1zbrA:
11.24
1c9sP-1zbrA:
11.24
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		5 GLY A 227
THR A 186
HIS A 185
THR A 184
ILE A 226
 None
 1.20A 1c9sO-1zwxA:
undetectable
1c9sP-1zwxA:
undetectable		 1c9sO-1zwxA:
13.62
1c9sP-1zwxA:
13.62
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.
2ciy CHLOROPEROXIDASE

(Leptoxyphium
fumago) 		PF01328
(Peroxidase_2) 		5 GLY A  62
ALA A 189
HIS A 226
ILE A  63
SER A 192
 None
None
None
HEM  A 396 (-4.3A)
None
 1.45A 1c9sO-2ciyA:
undetectable
1c9sP-2ciyA:
undetectable		 1c9sO-2ciyA:
12.75
1c9sP-2ciyA:
12.75
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.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 GLY A 285
ALA A 293
THR A 624
ILE A 283
SER A 817
 FAD  A1001 (-3.2A)
None
FAD  A1001 (-4.9A)
None
None
 0.93A 1c9sO-2dw4A:
undetectable
1c9sP-2dw4A:
undetectable		 1c9sO-2dw4A:
8.15
1c9sP-2dw4A:
8.15
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 GLY B 677
ALA B 688
THR B 417
HIS B 682
ILE B 676
 None
None
None
NI  B 901 (-2.8A)
None
 1.06A 1c9sO-2fffB:
undetectable
1c9sP-2fffB:
undetectable		 1c9sO-2fffB:
11.03
1c9sP-2fffB:
11.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fk6 RIBONUCLEASE Z

(Bacillus
subtilis) 		PF12706
(Lactamase_B_2) 		5 GLY A 210
HIS A 269
ALA A  65
THR A  62
THR A  20
 None
ZN  A 401 (-3.6A)
ZN  A 401 ( 4.9A)
None
None
 1.39A 1c9sO-2fk6A:
undetectable
1c9sP-2fk6A:
undetectable		 1c9sO-2fk6A:
12.30
1c9sP-2fk6A:
12.30
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.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE

(Pseudomonas
aeruginosa) 		PF00682
(HMGL-like) 		5 GLY A 206
HIS A 207
ALA A 215
THR A 188
ILE A 219
 None
NA  A3000 (-3.8A)
None
None
None
 1.23A 1c9sO-2ftpA:
undetectable
1c9sP-2ftpA:
undetectable		 1c9sO-2ftpA:
12.42
1c9sP-2ftpA:
12.42
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.
2i5b PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacillus
subtilis) 		PF08543
(Phos_pyr_kin) 		5 GLY A 215
ALA A 239
THR A  26
THR A 217
ILE A 243
 ADP  A 301 (-3.2A)
None
None
None
ADP  A 301 (-4.1A)
 1.29A 1c9sO-2i5bA:
undetectable
1c9sP-2i5bA:
undetectable		 1c9sO-2i5bA:
18.03
1c9sP-2i5bA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o56 PUTATIVE MANDELATE
RACEMASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  90
ALA A  96
THR A 297
ILE A  92
SER A  98
 None
 1.34A 1c9sO-2o56A:
undetectable
1c9sP-2o56A:
undetectable		 1c9sO-2o56A:
11.99
1c9sP-2o56A:
11.99
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.
2p5u UDP-GLUCOSE
4-EPIMERASE

(Thermus
thermophilus) 		PF01370
(Epimerase) 		5 GLY A 299
ALA A 258
HIS A 306
THR A 303
ILE A 300
 None
 1.48A 1c9sO-2p5uA:
undetectable
1c9sP-2p5uA:
undetectable		 1c9sO-2p5uA:
12.68
1c9sP-2p5uA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q1y CELL DIVISION
PROTEIN FTSZ

(Mycobacterium
tuberculosis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 107
ALA A  79
THR A  42
THR A 106
ILE A  16
 GSP  A 401 (-3.6A)
None
GSP  A 401 (-4.5A)
GSP  A 401 (-3.6A)
None
 1.35A 1c9sO-2q1yA:
undetectable
1c9sP-2q1yA:
undetectable		 1c9sO-2q1yA:
12.94
1c9sP-2q1yA:
12.94
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.
2rbc SUGAR KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 GLY A 258
HIS A 257
ALA A 281
THR A 259
SER A 278
 None
None
EDO  A 331 ( 3.7A)
None
EDO  A 331 (-3.3A)
 1.34A 1c9sO-2rbcA:
undetectable
1c9sP-2rbcA:
undetectable		 1c9sO-2rbcA:
11.54
1c9sP-2rbcA:
11.54
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.
2x7v PROBABLE
ENDONUCLEASE 4

(Thermotoga
maritima) 		PF01261
(AP_endonuc_2) 		5 GLY A   5
HIS A 268
HIS A 215
ILE A   4
THR A 261
 None
None
ZN  A1288 (-3.3A)
None
None
 1.40A 1c9sO-2x7vA:
undetectable
1c9sP-2x7vA:
undetectable		 1c9sO-2x7vA:
13.50
1c9sP-2x7vA:
13.50
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.
2xzl ATP-DEPENDENT
HELICASE NAM7

(Saccharomyces
cerevisiae) 		PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 GLY A 435
ALA A 407
THR A 442
THR A 439
SER A 402
 ADP  A1854 (-3.1A)
ADP  A1854 ( 4.5A)
None
None
None
 1.27A 1c9sO-2xzlA:
undetectable
1c9sP-2xzlA:
undetectable		 1c9sO-2xzlA:
7.24
1c9sP-2xzlA:
7.24
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.
3a1n NDP-SUGAR EPIMERASE

(Thermoplasma
volcanium) 		PF01370
(Epimerase) 		5 GLY A 166
THR A 178
THR A 179
THR A 112
SER A  74
 NAD  A3001 ( 4.6A)
None
NAD  A3001 ( 4.7A)
NAD  A3001 ( 4.5A)
None
 1.31A 1c9sO-3a1nA:
undetectable
1c9sP-3a1nA:
undetectable		 1c9sO-3a1nA:
13.02
1c9sP-3a1nA:
13.02
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.
3b9g IAG-NUCLEOSIDE
HYDROLASE

(Trypanosoma
vivax) 		PF01156
(IU_nuc_hydro) 		5 GLY A 166
ALA A 194
THR A 284
ILE A 187
THR A 295
 None
 1.08A 1c9sO-3b9gA:
undetectable
1c9sP-3b9gA:
undetectable		 1c9sO-3b9gA:
13.11
1c9sP-3b9gA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cb5 FACT COMPLEX SUBUNIT
SPT16

(Schizosaccharomyces
pombe) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 ALA A 187
THR A 426
THR A 414
ILE A 184
SER A 191
 None
 0.96A 1c9sO-3cb5A:
undetectable
1c9sP-3cb5A:
undetectable		 1c9sO-3cb5A:
9.95
1c9sP-3cb5A:
9.95
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.
3e7d COBH, PRECORRIN-8X
METHYLMUTASE

(Brucella
abortus) 		PF02570
(CbiC) 		5 GLY A 111
ALA A 117
THR A 138
ILE A 110
SER A 115
 None
 1.27A 1c9sO-3e7dA:
undetectable
1c9sP-3e7dA:
undetectable		 1c9sO-3e7dA:
17.31
1c9sP-3e7dA:
17.31
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.
3ee4 PROBABLE
RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		5 GLY A 270
ALA A 238
THR A 267
ILE A 235
THR A 173
 None
None
None
None
MYR  A 315 ( 4.9A)
 1.37A 1c9sO-3ee4A:
undetectable
1c9sP-3ee4A:
undetectable		 1c9sO-3ee4A:
12.95
1c9sP-3ee4A:
12.95
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.
3eeg 2-ISOPROPYLMALATE
SYNTHASE

(Cytophaga
hutchinsonii) 		PF00682
(HMGL-like) 		5 GLY A 208
ALA A 212
THR A 239
HIS A 204
SER A 214
 None
 1.33A 1c9sO-3eegA:
undetectable
1c9sP-3eegA:
undetectable		 1c9sO-3eegA:
17.23
1c9sP-3eegA:
17.23
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ALA A 389
THR A 349
HIS A 348
ILE A 364
SER A 385
 None
None
MG  A   7 (-3.6A)
None
None
 1.41A 1c9sO-3f2bA:
undetectable
1c9sP-3f2bA:
undetectable		 1c9sO-3f2bA:
6.36
1c9sP-3f2bA:
6.36
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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 GLY A 174
ALA A 140
THR A 457
ILE A 173
THR A 442
 None
 1.21A 1c9sO-3hpaA:
undetectable
1c9sP-3hpaA:
undetectable		 1c9sO-3hpaA:
10.65
1c9sP-3hpaA:
10.65
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.
3hq2 BACILLUS SUBTILIS
M32 CARBOXYPEPTIDASE

(Bacillus
subtilis) 		PF02074
(Peptidase_M32) 		5 GLY A 393
THR A 355
ILE A 394
THR A 189
SER A 342
 None
 1.34A 1c9sO-3hq2A:
undetectable
1c9sP-3hq2A:
undetectable		 1c9sO-3hq2A:
8.96
1c9sP-3hq2A:
8.96
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 GLY A  86
ALA A  94
THR A 246
ILE A  84
SER A 322
 AHZ  A 500 (-3.0A)
None
None
None
None
 1.13A 1c9sO-3jskA:
undetectable
1c9sP-3jskA:
undetectable		 1c9sO-3jskA:
13.37
1c9sP-3jskA:
13.37
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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		5 GLY A 192
THR A 151
HIS A 150
THR A 149
ILE A 191
 None
 1.17A 1c9sO-3k55A:
undetectable
1c9sP-3k55A:
undetectable		 1c9sO-3k55A:
13.73
1c9sP-3k55A:
13.73
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.
3k5h PHOSPHORIBOSYL-AMINO
IMIDAZOLE
CARBOXYLASE

(Aspergillus
clavatus) 		PF01262
(AlaDh_PNT_C)
PF02222
(ATP-grasp) 		5 GLY A 282
ALA A 221
HIS A 277
ILE A 307
THR A 358
 None
 1.26A 1c9sO-3k5hA:
undetectable
1c9sP-3k5hA:
undetectable		 1c9sO-3k5hA:
11.53
1c9sP-3k5hA:
11.53
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.
3kto RESPONSE REGULATOR
RECEIVER PROTEIN

(Pseudoalteromonas
atlantica) 		PF00072
(Response_reg) 		5 GLY A  58
ALA A 109
HIS A  85
ILE A 128
SER A 107
 None
 1.21A 1c9sO-3ktoA:
undetectable
1c9sP-3ktoA:
undetectable		 1c9sO-3ktoA:
18.94
1c9sP-3ktoA:
18.94
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.
3l4g PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Homo sapiens) 		PF01409
(tRNA-synt_2d) 		5 GLY A 458
THR A 328
HIS A 327
ILE A 373
SER A 332
 PHE  A 509 (-3.6A)
None
None
None
None
 1.45A 1c9sO-3l4gA:
undetectable
1c9sP-3l4gA:
undetectable		 1c9sO-3l4gA:
9.81
1c9sP-3l4gA:
9.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l8k DIHYDROLIPOYL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  14
HIS A  16
ALA A 325
THR A 304
ILE A 135
 None
 1.29A 1c9sO-3l8kA:
undetectable
1c9sP-3l8kA:
undetectable		 1c9sO-3l8kA:
11.76
1c9sP-3l8kA:
11.76
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.
3q8n 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		5 GLY A 237
HIS A 234
ALA A 173
THR A 416
THR A 194
 None
 1.18A 1c9sO-3q8nA:
undetectable
1c9sP-3q8nA:
undetectable		 1c9sO-3q8nA:
9.98
1c9sP-3q8nA:
9.98
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.
3rwb PYRIDOXAL
4-DEHYDROGENASE

(Mesorhizobium
loti) 		PF13561
(adh_short_C2) 		5 GLY A 160
ALA A 140
THR A 116
THR A 165
SER A 138
 None
 1.18A 1c9sO-3rwbA:
undetectable
1c9sP-3rwbA:
undetectable		 1c9sO-3rwbA:
16.06
1c9sP-3rwbA:
16.06
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.
3v4b STARVATION SENSING
PROTEIN RSPA

(Cellvibrio
japonicus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 261
THR A 285
HIS A 288
THR A 284
ILE A 282
 None
 1.48A 1c9sO-3v4bA:
undetectable
1c9sP-3v4bA:
undetectable		 1c9sO-3v4bA:
12.60
1c9sP-3v4bA:
12.60
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.
3wpe TOLL-LIKE RECEPTOR 9

(Bos taurus) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 GLY A 133
HIS A 151
THR A 152
ILE A 134
SER A 148
 None
 1.15A 1c9sO-3wpeA:
undetectable
1c9sP-3wpeA:
undetectable		 1c9sO-3wpeA:
7.17
1c9sP-3wpeA:
7.17
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.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 GLY A 209
HIS A 388
THR A 387
ILE A 208
THR A 213
 None
FMN  A 500 (-4.6A)
None
None
FMN  A 500 ( 4.6A)
 1.17A 1c9sO-3x0yA:
undetectable
1c9sP-3x0yA:
undetectable		 1c9sO-3x0yA:
11.36
1c9sP-3x0yA:
11.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zte TRYPTOPHAN OPERON
RNA-BINDING
ATTENUATION PROTEIN
(TRAP)

(Bacillus
licheniformis) 		PF02081
(TrpBP) 		6 GLY A  23
HIS A  34
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A  80 (-3.5A)
TRP  A  80 ( 4.9A)
TRP  A  80 (-2.8A)
None
TRP  A  80 (-3.6A)
TRP  A  80 ( 4.6A)
 0.25A 1c9sO-3zteA:
15.0
1c9sP-3zteA:
14.4		 1c9sO-3zteA:
78.21
1c9sP-3zteA:
78.21
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A  50
THR A  56
THR A  75
ILE A 349
SER A 127
 FES  A3002 ( 3.1A)
None
FES  A3002 ( 4.3A)
FAD  A3005 ( 4.3A)
None
 1.50A 1c9sO-3zyvA:
undetectable
1c9sP-3zyvA:
undetectable		 1c9sO-3zyvA:
4.62
1c9sP-3zyvA:
4.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzl TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
halodurans) 		PF02081
(TrpBP) 		6 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
 TRP  A  81 (-3.5A)
TRP  A  81 ( 4.7A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
None
TRP  A  81 (-3.7A)
 0.31A 1c9sO-3zzlA:
13.0
1c9sP-3zzlA:
13.2		 1c9sO-3zzlA:
71.43
1c9sP-3zzlA:
71.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzq TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		6 GLY A  23
HIS A  34
ALA A  46
THR A  49
THR A  52
ILE A  55
 TRP  A  81 (-3.4A)
TRP  A  81 ( 4.9A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.8A)
TRP  A  81 ( 4.4A)
 0.15A 1c9sO-3zzqA:
13.6
1c9sP-3zzqA:
13.7		 1c9sO-3zzqA:
80.00
1c9sP-3zzqA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzs TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Geobacillus
stearothermophilus) 		PF02081
(TrpBP) 		7 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A1072 (-3.5A)
TRP  A1072 ( 4.7A)
TRP  A1072 ( 3.8A)
TRP  A1072 (-2.9A)
None
TRP  A1072 (-3.8A)
TRP  A1072 ( 4.4A)
 0.16A 1c9sO-3zzsA:
13.4
1c9sP-3zzsA:
13.6		 1c9sO-3zzsA:
100.00
1c9sP-3zzsA:
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.
4aj9 CATALASE-3

(Neurospora
crassa) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ALA A 320
THR A 377
HIS A 249
THR A 250
ILE A 315
 None
None
HEM  A1715 (-3.9A)
None
None
 1.25A 1c9sO-4aj9A:
undetectable
1c9sP-4aj9A:
undetectable		 1c9sO-4aj9A:
8.76
1c9sP-4aj9A:
8.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b27 TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		7 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 GLY  A  23 (-0.0A)
HIS  A  34 ( 1.0A)
ALA  A  46 ( 0.0A)
THR  A  49 (-0.8A)
HIS  A  51 ( 1.0A)
THR  A  52 (-0.8A)
ILE  A  55 ( 0.6A)
 0.24A 1c9sO-4b27A:
13.0
1c9sP-4b27A:
13.2		 1c9sO-4b27A:
76.32
1c9sP-4b27A:
76.32
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 ALA A 500
THR A 572
THR A 545
ILE A 547
SER A 504
 None
 1.13A 1c9sO-4bx9A:
undetectable
1c9sP-4bx9A:
undetectable		 1c9sO-4bx9A:
7.91
1c9sP-4bx9A:
7.91
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.
4e6e CELL DIVISION
PROTEIN FTSZ

(Thermobifida
fusca) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 107
ALA A  79
THR A  42
THR A 106
ILE A  16
 SO4  A 607 (-3.4A)
None
None
SO4  A 607 (-4.3A)
None
 1.25A 1c9sO-4e6eA:
undetectable
1c9sP-4e6eA:
undetectable		 1c9sO-4e6eA:
12.06
1c9sP-4e6eA:
12.06
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.
4e6y CITRATE SYNTHASE

(Vibrio
vulnificus) 		PF00285
(Citrate_synt) 		5 HIS A  69
ALA A 394
THR A 236
ILE A 390
THR A  58
 None
 1.41A 1c9sO-4e6yA:
undetectable
1c9sP-4e6yA:
undetectable		 1c9sO-4e6yA:
11.67
1c9sP-4e6yA:
11.67
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.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ALA A  69
HIS A  54
THR A  55
ILE A  57
THR A  76
 None
 1.24A 1c9sO-4fc7A:
undetectable
1c9sP-4fc7A:
undetectable		 1c9sO-4fc7A:
16.60
1c9sP-4fc7A:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqd NIKO PROTEIN

(Streptomyces
tendae) 		PF00275
(EPSP_synthase) 		5 GLY A 203
ALA A 233
HIS A 207
ILE A 245
SER A 252
 None
 1.16A 1c9sO-4fqdA:
undetectable
1c9sP-4fqdA:
undetectable		 1c9sO-4fqdA:
9.50
1c9sP-4fqdA:
9.50
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 GLY A 389
ALA A 397
THR A 626
ILE A 387
SER A 811
 FAD  A 901 (-3.3A)
None
None
None
None
 0.97A 1c9sO-4hsuA:
undetectable
1c9sP-4hsuA:
undetectable		 1c9sO-4hsuA:
7.64
1c9sP-4hsuA:
7.64
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.
4i6m ACTIN-LIKE PROTEIN
ARP9

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		5 GLY B 191
THR B 340
THR B 339
ILE B 194
THR B 169
 None
 1.00A 1c9sO-4i6mB:
undetectable
1c9sP-4i6mB:
undetectable		 1c9sO-4i6mB:
11.93
1c9sP-4i6mB:
11.93
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.
4jre IMMUNOGLOBULIN
GAMMA-2A, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY B  33
ALA B  79
THR B  53
ILE B  51
SER B  77
 None
 1.05A 1c9sO-4jreB:
undetectable
1c9sP-4jreB:
undetectable		 1c9sO-4jreB:
15.89
1c9sP-4jreB:
15.89
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 5 GLY E 470
HIS E 472
THR E 481
THR E 480
ILE E 469
 None
 1.19A 1c9sO-4kprE:
undetectable
1c9sP-4kprE:
undetectable		 1c9sO-4kprE:
9.64
1c9sP-4kprE:
9.64
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		5 HIS A 117
ALA A 122
THR A  88
ILE A 129
SER A 124
 None
 1.41A 1c9sO-4nq1A:
undetectable
1c9sP-4nq1A:
undetectable		 1c9sO-4nq1A:
15.71
1c9sP-4nq1A:
15.71
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.
4ov4 2-ISOPROPYLMALATE
SYNTHASE

(Leptospira
biflexa) 		PF00682
(HMGL-like) 		5 GLY A 213
ALA A 217
THR A 244
HIS A 209
SER A 219
 None
None
None
ZN  A 401 ( 3.4A)
None
 1.15A 1c9sO-4ov4A:
undetectable
1c9sP-4ov4A:
undetectable		 1c9sO-4ov4A:
11.11
1c9sP-4ov4A:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q0g PROBABLE
ACETYL-/PROPIONYL-CO
A CARBOXYLASE (BETA
SUBUNIT) ACCD1

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		5 GLY A  84
ALA A  71
HIS A 119
THR A 115
THR A  87
 None
 1.32A 1c9sO-4q0gA:
undetectable
1c9sP-4q0gA:
undetectable		 1c9sO-4q0gA:
9.33
1c9sP-4q0gA:
9.33
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.
4xeh KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 HIS A 113
ALA A 288
HIS A 108
ILE A 116
THR A 188
 None
 1.27A 1c9sO-4xehA:
undetectable
1c9sP-4xehA:
undetectable		 1c9sO-4xehA:
14.06
1c9sP-4xehA:
14.06
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.
5dx5 METHIONINE
GAMMA-LYASE

(Clostridium
sporogenes) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 245
ALA A  85
THR A 244
ILE A 240
SER A  87
 None
None
None
None
PLP  A 501 (-3.7A)
 1.32A 1c9sO-5dx5A:
undetectable
1c9sP-5dx5A:
undetectable		 1c9sO-5dx5A:
11.50
1c9sP-5dx5A:
11.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eex TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Geobacillus
stearothermophilus) 		PF02081
(TrpBP) 		7 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 None
 0.18A 1c9sO-5eexA:
15.3
1c9sP-5eexA:
15.5		 1c9sO-5eexA:
100.00
1c9sP-5eexA:
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.
5f9p ANTHRONE
OXIDASE-LIKE PROTEIN

(Streptomyces
ambofaciens) 		PF03992
(ABM) 		5 GLY A 117
HIS A 226
THR A  48
ILE A 116
SER A 229
 None
 1.37A 1c9sO-5f9pA:
undetectable
1c9sP-5f9pA:
undetectable		 1c9sO-5f9pA:
15.35
1c9sP-5f9pA:
15.35
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 GLY A  83
HIS A  87
THR A 105
THR A 108
ILE A 112
 None
 1.26A 1c9sO-5habA:
0.0
1c9sP-5habA:
undetectable		 1c9sO-5habA:
12.91
1c9sP-5habA:
12.91
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.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		5 GLY B1459
HIS B1548
THR B1539
HIS B1546
ILE B1458
 None
 1.16A 1c9sO-5hzkB:
undetectable
1c9sP-5hzkB:
undetectable		 1c9sO-5hzkB:
9.11
1c9sP-5hzkB:
9.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 GLY A 285
ALA A 293
THR A 624
ILE A 283
SER A 817
 FAD  A 901 (-3.3A)
None
None
None
None
 0.95A 1c9sO-5l3dA:
undetectable
1c9sP-5l3dA:
undetectable		 1c9sO-5l3dA:
6.27
1c9sP-5l3dA:
6.27
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.
5lgc ARCE4A

(Arthrobacter
sp. AW19M34-1) 		PF01522
(Polysacc_deac_1) 		5 GLY A  80
THR A 199
HIS A  77
THR A  54
ILE A 118
 None
 1.09A 1c9sO-5lgcA:
undetectable
1c9sP-5lgcA:
undetectable		 1c9sO-5lgcA:
17.89
1c9sP-5lgcA:
17.89
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.
5lta PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 HIS A 584
ALA A 656
HIS A 579
ILE A 547
THR A 717
 None
 1.18A 1c9sO-5ltaA:
undetectable
1c9sP-5ltaA:
undetectable		 1c9sO-5ltaA:
7.00
1c9sP-5ltaA:
7.00
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 GLY A 172
ALA A 180
THR A 190
ILE A 175
SER A 186
 None
 1.18A 1c9sO-5o1mA:
undetectable
1c9sP-5o1mA:
undetectable		 1c9sO-5o1mA:
12.64
1c9sP-5o1mA:
12.64
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.
5uki RNA LARIAT
DEBRANCHING ENZYME,
PUTATIVE

(Entamoeba
histolytica) 		no annotation 5 GLY A  89
HIS A 230
THR A 157
ILE A  87
SER A 211
 None
MN  A 401 (-3.4A)
None
None
None
 1.47A 1c9sO-5ukiA:
undetectable
1c9sP-5ukiA:
undetectable		 1c9sO-5ukiA:
undetectable
1c9sP-5ukiA:
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 GLY A 874
ALA A 726
THR A 846
ILE A 696
SER A 724
 None
None
None
None
SO4  A2003 (-2.4A)
 1.20A 1c9sO-5ux5A:
undetectable
1c9sP-5ux5A:
undetectable		 1c9sO-5ux5A:
5.76
1c9sP-5ux5A:
5.76
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.
5w1j THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Echinococcus
granulosus) 		no annotation 5 GLY A 568
HIS A 570
THR A 579
THR A 578
ILE A 567
 None
 1.22A 1c9sO-5w1jA:
undetectable
1c9sP-5w1jA:
undetectable		 1c9sO-5w1jA:
8.72
1c9sP-5w1jA:
8.72
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.
5wh8 PUTATIVE
CARBOHYDRATE-ACTIVE
ENZYME

(uncultured
organism) 		no annotation 5 GLY A 294
ALA A 328
THR A 287
THR A 288
SER A 346
 None
 1.45A 1c9sO-5wh8A:
undetectable
1c9sP-5wh8A:
undetectable		 1c9sO-5wh8A:
undetectable
1c9sP-5wh8A:
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 ALA A 929
THR A 685
THR A 687
ILE A 961
THR A 550
 None
 1.49A 1c9sO-5x7sA:
undetectable
1c9sP-5x7sA:
undetectable		 1c9sO-5x7sA:
4.73
1c9sP-5x7sA:
4.73
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.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 GLY C  65
ALA C 278
HIS C 271
ILE C 138
SER C 276
 None
 1.37A 1c9sO-5y6qC:
undetectable
1c9sP-5y6qC:
undetectable		 1c9sO-5y6qC:
undetectable
1c9sP-5y6qC:
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.
5y6r GENOME POLYPROTEIN

(Pestivirus C) 		no annotation 5 GLY A 147
ALA A 622
HIS A 626
THR A 627
ILE A 148
 SO4  A 706 ( 4.4A)
None
SO4  A 706 (-3.9A)
None
None
 1.18A 1c9sO-5y6rA:
undetectable
1c9sP-5y6rA:
undetectable		 1c9sO-5y6rA:
undetectable
1c9sP-5y6rA:
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.
5y6r GENOME POLYPROTEIN

(Pestivirus C) 		no annotation 5 GLY A 147
ALA A 622
THR A 627
ILE A 148
SER A 618
 SO4  A 706 ( 4.4A)
None
None
None
None
 1.33A 1c9sO-5y6rA:
undetectable
1c9sP-5y6rA:
undetectable		 1c9sO-5y6rA:
undetectable
1c9sP-5y6rA:
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.
5ygr DIAMINOPROPIONATE
AMMONIA LYASE

(Salmonella
enterica) 		no annotation 5 GLY A 126
ALA A 133
THR A 122
THR A 124
ILE A 159
 PO4  A 504 (-4.5A)
None
None
PO4  A 504 (-3.6A)
None
 1.08A 1c9sO-5ygrA:
undetectable
1c9sP-5ygrA:
undetectable		 1c9sO-5ygrA:
undetectable
1c9sP-5ygrA:
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.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 GLY A  34
ALA A  60
THR A  35
ILE A  71
SER A  58
 None
 1.24A 1c9sO-5z73A:
undetectable
1c9sP-5z73A:
undetectable		 1c9sO-5z73A:
undetectable
1c9sP-5z73A:
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 5 GLY A 134
HIS A 152
THR A 153
ILE A 135
SER A 149
 None
 1.10A 1c9sO-5zlnA:
undetectable
1c9sP-5zlnA:
undetectable		 1c9sO-5zlnA:
undetectable
1c9sP-5zlnA:
undetectable