SIMILAR PATTERNS OF AMINO ACIDS FOR 4PD9_A_ADNA501_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.
1bh6 SUBTILISIN DY

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 GLY A 229
ALA A 228
VAL A 150
LEU A 250
ILE A  11
 None
 1.23A 4pd9A-1bh6A:
0.0		 4pd9A-1bh6A:
24.47
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.
1bjx PROTEIN DISULFIDE
ISOMERASE

(Homo sapiens) 		PF13848
(Thioredoxin_6) 		5 GLY A 185
VAL A 203
LEU A 208
PHE A 144
ILE A 169
 None
 1.20A 4pd9A-1bjxA:
0.0		 4pd9A-1bjxA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c3l SUBTILISIN-CARLSBERG

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 GLY A 229
ALA A 228
VAL A 150
LEU A 250
ILE A  11
 None
 1.23A 4pd9A-1c3lA:
0.0		 4pd9A-1c3lA:
23.11
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.
1kgp RIBONUCLEOTIDE
REDUCTASE PROTEIN
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		5 GLY A  81
GLN A  80
ALA A 105
LEU A  89
SER A 164
 None
 1.20A 4pd9A-1kgpA:
0.3		 4pd9A-1kgpA:
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.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 GLY A 122
GLU A 124
VAL A  12
TYR A  16
SER A 135
 SAH  A1900 (-3.2A)
SAH  A1900 (-2.9A)
SAH  A1900 (-4.9A)
SAH  A1900 ( 4.2A)
None
 1.23A 4pd9A-1kphA:
0.0		 4pd9A-1kphA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1luj CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		5 GLY A 277
ALA A 276
ASN A 308
SER A 311
ILE A 314
 None
 1.15A 4pd9A-1lujA:
0.0		 4pd9A-1lujA:
23.15
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.
1luj CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		5 GLY A 278
ALA A 276
ASN A 308
SER A 311
ILE A 314
 None
 1.18A 4pd9A-1lujA:
0.0		 4pd9A-1lujA:
23.15
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.
1or4 HEME-BASED
AEROTACTIC
TRANSDUCER HEMAT

(Bacillus
subtilis) 		PF11563
(Protoglobin) 		5 GLN A  53
ALA A 161
LEU A  57
GLU A 157
PHE A  14
 None
 1.10A 4pd9A-1or4A:
0.0		 4pd9A-1or4A:
19.15
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.
1s4f RNA-DEPENDENT RNA
POLYMERASE

(Pestivirus A) 		PF00998
(RdRP_3) 		5 GLN A 402
GLU A 177
TYR A 256
LEU A 358
GLU A 258
 None
 1.14A 4pd9A-1s4fA:
0.0		 4pd9A-1s4fA:
22.76
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.
1tve HOMOSERINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 GLY A 147
GLU A 143
VAL A 227
LEU A 156
ILE A 334
 None
 1.09A 4pd9A-1tveA:
0.0		 4pd9A-1tveA:
23.15
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.
1u0k GENE PRODUCT PA4716

(Pseudomonas
aeruginosa) 		PF02567
(PhzC-PhzF) 		5 GLY A  74
ALA A  73
VAL A 105
LEU A 107
ILE A  48
 None
 1.23A 4pd9A-1u0kA:
undetectable		 4pd9A-1u0kA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v7n THROMBOPOIETIN

(Homo sapiens) 		PF00758
(EPO_TPO) 		5 GLY V  95
GLN V  96
VAL V  74
LEU V  70
SER V  19
 None
 1.22A 4pd9A-1v7nV:
undetectable		 4pd9A-1v7nV:
18.16
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.
1wiz DNA-BINDING PROTEIN
SATB2

(Homo sapiens) 		PF02376
(CUT) 		5 ALA A  44
TYR A  91
LEU A  52
GLU A  29
ILE A  22
 None
 1.23A 4pd9A-1wizA:
undetectable		 4pd9A-1wizA:
12.74
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.
1wqa PHOSPHO-SUGAR MUTASE

(Pyrococcus
horikoshii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A 342
ALA A 249
VAL A 240
LEU A 190
ILE A 161
 GLY  A 342 ( 0.0A)
ALA  A 249 ( 0.0A)
VAL  A 240 ( 0.6A)
LEU  A 190 ( 0.6A)
ILE  A 161 ( 0.7A)
 1.07A 4pd9A-1wqaA:
undetectable		 4pd9A-1wqaA:
23.16
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.
1yb3 HYPOTHETICAL PROTEIN

(Pyrococcus
furiosus) 		PF11447
(DUF3201) 		5 GLY A  69
ALA A  59
VAL A  39
GLU A  38
ILE A  13
 None
 1.23A 4pd9A-1yb3A:
undetectable		 4pd9A-1yb3A:
17.34
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.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 GLY A 244
VAL A 273
LEU A 241
PHE A 303
ILE A 300
 None
 1.17A 4pd9A-1zj9A:
undetectable		 4pd9A-1zj9A:
25.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b6n PROTEINASE K

(Serratia sp.
GF96) 		PF00082
(Peptidase_S8) 		5 GLY A 232
ALA A 231
VAL A 156
LEU A 252
ILE A  13
 None
 1.21A 4pd9A-2b6nA:
undetectable		 4pd9A-2b6nA:
22.11
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.
2chq REPLICATION FACTOR C
SMALL SUBUNIT

(Archaeoglobus
fulgidus) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 GLY A 206
ALA A 207
VAL A 214
LEU A 189
ILE A 201
 None
None
None
None
ANP  A 700 ( 4.9A)
 1.05A 4pd9A-2chqA:
undetectable		 4pd9A-2chqA:
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.
2chq REPLICATION FACTOR C
SMALL SUBUNIT

(Archaeoglobus
fulgidus) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 GLY A 206
GLN A 205
ALA A 207
VAL A 214
LEU A 189
 None
 1.03A 4pd9A-2chqA:
undetectable		 4pd9A-2chqA:
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.
2cjq RNA-DIRECTED RNA
POLYMERASE

(Pestivirus A) 		PF00998
(RdRP_3) 		5 GLN A 402
GLU A 177
TYR A 256
LEU A 358
GLU A 258
 None
 1.12A 4pd9A-2cjqA:
undetectable		 4pd9A-2cjqA:
21.57
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.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		5 GLY A 227
ALA A 228
VAL A 260
LEU A 240
SER A 220
 None
 1.21A 4pd9A-2cy8A:
undetectable		 4pd9A-2cy8A:
24.02
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.
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY C  69
GLN C  64
VAL C 128
GLU C 123
SER C  92
 None
 1.17A 4pd9A-2d3tC:
undetectable		 4pd9A-2d3tC:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dgj HYPOTHETICAL PROTEIN
EBHA

(Staphylococcus
aureus) 		PF01468
(GA) 		5 GLY A 134
GLN A 133
ALA A 135
VAL A 190
TYR A 159
 None
 1.23A 4pd9A-2dgjA:
undetectable		 4pd9A-2dgjA:
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.
2eh6 ACETYLORNITHINE
AMINOTRANSFERASE

(Aquifex
aeolicus) 		PF00202
(Aminotran_3) 		5 GLY A 250
ALA A 251
VAL A  89
LEU A  75
ILE A 218
 None
 1.14A 4pd9A-2eh6A:
undetectable		 4pd9A-2eh6A:
24.83
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.
2faq PROBABLE
ATP-DEPENDENT DNA
LIGASE

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 641
GLN A 644
ALA A 642
SER A 552
ILE A 551
 None
None
None
SO4  A1302 (-2.6A)
None
 1.09A 4pd9A-2faqA:
undetectable		 4pd9A-2faqA:
24.61
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.
2gz3 ASPARTATE
BETA-SEMIALDEHYDE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLY A  12
ALA A  16
ASN A 325
SER A 158
ILE A 165
 NAP  A 367 (-3.3A)
None
NAP  A 367 (-4.0A)
None
None
 1.11A 4pd9A-2gz3A:
undetectable		 4pd9A-2gz3A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hqo PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Helicobacter
pylori) 		PF00072
(Response_reg) 		5 GLY A  90
GLN A  89
ALA A  91
VAL A  73
GLU A  82
 None
 1.09A 4pd9A-2hqoA:
undetectable		 4pd9A-2hqoA:
14.25
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.
2ool SENSOR PROTEIN

(Rhodopseudomonas
palustris) 		PF01590
(GAF)
PF08446
(PAS_2) 		5 GLY A 294
GLN A 186
LEU A 321
GLU A 329
ILE A 196
 None
 1.25A 4pd9A-2oolA:
undetectable		 4pd9A-2oolA:
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.
2orz NEUROPILIN-1

(Rattus
norvegicus) 		PF00754
(F5_F8_type_C) 		5 GLY A 366
VAL A 465
LEU A 333
ASN A 545
ILE A 362
 None
 1.10A 4pd9A-2orzA:
undetectable		 4pd9A-2orzA:
21.38
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.
2pbz HYPOTHETICAL PROTEIN

(Thermococcus
kodakarensis) 		PF06849
(DUF1246)
PF06973
(DUF1297) 		5 GLY A  19
GLN A  15
ALA A 295
LEU A 288
SER A 273
 None
 1.20A 4pd9A-2pbzA:
undetectable		 4pd9A-2pbzA:
24.19
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.
2qbu PRECORRIN-2
METHYLTRANSFERASE

(Methanothermobacter
thermautotrophicus) 		PF00590
(TP_methylase) 		5 GLY A 181
ALA A 184
VAL A 188
PHE A 214
SER A 199
 None
 1.18A 4pd9A-2qbuA:
undetectable		 4pd9A-2qbuA:
19.90
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.
2vlg SPORULATION KINASE A

(Bacillus
subtilis) 		PF08447
(PAS_3) 		5 ALA A  91
VAL A  89
ASN A  33
SER A  31
ILE A  30
 None
 1.05A 4pd9A-2vlgA:
undetectable		 4pd9A-2vlgA:
11.56
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.
2vmj DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
xylosoxidans) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 GLY A 254
ALA A 276
TYR A 158
PHE A 256
SER A 123
 None
 1.16A 4pd9A-2vmjA:
undetectable		 4pd9A-2vmjA:
20.66
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.
2wxu PHOSPHOLIPASE C

(Clostridium
perfringens) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		5 GLY A  18
GLN A 229
ALA A 233
TYR A 192
ILE A 164
 None
 1.23A 4pd9A-2wxuA:
2.2		 4pd9A-2wxuA:
19.91
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.
2z65 LYMPHOCYTE ANTIGEN
96
TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF02221
(E1_DerP2_DerF2)
PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 GLY C 110
TYR C  42
GLU A  42
PHE A  63
ASN A  64
 None
 1.20A 4pd9A-2z65C:
undetectable		 4pd9A-2z65C:
15.01
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.
2z6h CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		5 GLY A 277
ALA A 276
ASN A 308
SER A 311
ILE A 314
 None
 1.18A 4pd9A-2z6hA:
undetectable		 4pd9A-2z6hA:
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.
2z6h CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		5 GLY A 278
ALA A 276
ASN A 308
SER A 311
ILE A 314
 None
 1.19A 4pd9A-2z6hA:
undetectable		 4pd9A-2z6hA:
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.
3bgk PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
mutans) 		PF01256
(Carb_kinase) 		5 GLY A 225
ALA A  52
VAL A  55
LEU A  29
SER A 265
 None
 1.19A 4pd9A-3bgkA:
1.6		 4pd9A-3bgkA:
21.96
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.
3bjs MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  82
VAL A 398
LEU A 342
GLU A 400
ILE A  72
 None
 1.10A 4pd9A-3bjsA:
undetectable		 4pd9A-3bjsA:
22.08
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.
3d54 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 1

(Thermotoga
maritima) 		PF13507
(GATase_5) 		5 GLY D 200
LEU D 183
PHE D 130
ASN D 128
SER D 206
 None
 1.17A 4pd9A-3d54D:
undetectable		 4pd9A-3d54D:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dtz PUTATIVE CHLORITE
DISMUTASE TA0507

(Thermoplasma
acidophilum) 		PF06778
(Chlor_dismutase) 		5 VAL A 175
LEU A 177
PHE A  90
SER A  10
ILE A  60
 None
 1.19A 4pd9A-3dtzA:
undetectable		 4pd9A-3dtzA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3efv PUTATIVE
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Salmonella
enterica) 		PF00171
(Aldedh) 		5 GLY A 195
GLN A 198
ALA A 191
VAL A 189
LEU A 131
 None
 0.97A 4pd9A-3efvA:
undetectable		 4pd9A-3efvA:
22.11
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.
3efv PUTATIVE
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Salmonella
enterica) 		PF00171
(Aldedh) 		5 GLY A 195
GLN A 198
ALA A 191
VAL A 189
LEU A 158
 None
 1.03A 4pd9A-3efvA:
undetectable		 4pd9A-3efvA:
22.11
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.
3fdj DEGV FAMILY PROTEIN

([Eubacterium]
eligens) 		PF02645
(DegV) 		5 GLY A 256
ALA A 255
VAL A 228
LEU A  45
ILE A  26
 None
 1.16A 4pd9A-3fdjA:
undetectable		 4pd9A-3fdjA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g0t PUTATIVE
AMINOTRANSFERASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		5 GLY A 116
GLN A 115
VAL A 108
LEU A 298
SER A 307
 None
 1.13A 4pd9A-3g0tA:
undetectable		 4pd9A-3g0tA:
23.82
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.
3hbz PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13201
(PCMD) 		5 GLY A 222
ALA A 328
VAL A 330
TYR A 261
ASN A 278
 None
 1.16A 4pd9A-3hbzA:
undetectable		 4pd9A-3hbzA:
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.
3ie1 RIBONUCLEASE
TTHA0252

(Thermus
thermophilus) 		PF00753
(Lactamase_B)
PF07521
(RMMBL)
PF10996
(Beta-Casp) 		5 GLY A 348
VAL A 371
LEU A 329
PHE A 338
ILE A 321
 None
 1.16A 4pd9A-3ie1A:
undetectable		 4pd9A-3ie1A:
24.11
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.
3ifq PLAKOGLOBIN

(Homo sapiens) 		PF00514
(Arm) 		5 GLY A 269
ALA A 267
ASN A 299
SER A 302
ILE A 305
 None
 0.99A 4pd9A-3ifqA:
undetectable		 4pd9A-3ifqA:
22.05
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		5 GLY B 348
ALA B 349
VAL B 364
LEU B 366
ILE B 373
 None
 1.15A 4pd9A-3it4B:
undetectable		 4pd9A-3it4B:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kwl UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 5 ALA A 311
TYR A 351
LEU A 250
GLU A 309
ASN A 402
 None
 1.25A 4pd9A-3kwlA:
undetectable		 4pd9A-3kwlA:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ll8 CALCINEURIN SUBUNIT
B TYPE 1
SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2B
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos)
PF13499
(EF-hand_7) 		5 GLY B  77
GLN B  80
VAL B  57
LEU A 365
PHE B  93
 None
 1.26A 4pd9A-3ll8B:
undetectable		 4pd9A-3ll8B:
15.59
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.
3mfq HIGH-AFFINITY ZINC
UPTAKE SYSTEM
PROTEIN ZNUA

(Streptococcus
suis) 		PF01297
(ZnuA) 		5 GLY A  90
GLU A  94
VAL A 108
LEU A  43
PHE A 132
 None
 1.20A 4pd9A-3mfqA:
undetectable		 4pd9A-3mfqA:
20.70
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.
3mjo RIBONUCLEOTIDE
REDUCTASE SUBUNIT
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		5 GLY A  81
GLN A  80
ALA A 105
LEU A  89
SER A 164
 None
 1.16A 4pd9A-3mjoA:
undetectable		 4pd9A-3mjoA:
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.
3oeb S-LAYER ASSOCIATED
MULTIDOMAIN
ENDOGLUCANASE

(Caldanaerobius
polysaccharolyticus) 		PF02018
(CBM_4_9) 		5 GLY A  49
GLN A  50
VAL A  78
ASN A   3
ILE A  52
 None
 1.04A 4pd9A-3oebA:
undetectable		 4pd9A-3oebA:
14.96
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.
3ozi L6TR

(Linum
usitatissimum) 		PF01582
(TIR) 		5 GLY A 186
GLN A 185
ALA A 189
VAL A 192
PHE A  51
 None
 1.12A 4pd9A-3oziA:
undetectable		 4pd9A-3oziA:
17.27
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.
3p3q MMOQ

(Methylococcus
capsulatus) 		PF08668
(HDOD) 		5 GLN A 103
ALA A  47
VAL A  52
LEU A  98
GLU A  50
 SO4  A   1 (-3.5A)
None
None
None
None
 1.26A 4pd9A-3p3qA:
1.4		 4pd9A-3p3qA:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pz6 LEUCYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00133
(tRNA-synt_1) 		5 ALA A 405
VAL A 419
LEU A 332
SER A 398
ILE A 397
 None
 1.07A 4pd9A-3pz6A:
undetectable		 4pd9A-3pz6A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 GLY A 204
GLN A 259
GLU A 414
SER A 148
ILE A 261
 None
 1.10A 4pd9A-3q9oA:
undetectable		 4pd9A-3q9oA:
20.34
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.
3qfh EPIDERMIN LEADER
PEPTIDE PROCESSING
SERINE PROTEASE EPIP

(Staphylococcus
aureus) 		PF00082
(Peptidase_S8) 		5 GLY A 193
GLN A 194
ALA A 197
TYR A 125
ILE A 377
 None
 1.20A 4pd9A-3qfhA:
undetectable		 4pd9A-3qfhA:
21.91
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.
3rmg OCTAPRENYL-DIPHOSPHA
TE SYNTHASE

(Bacteroides
thetaiotaomicron) 		PF00348
(polyprenyl_synt) 		5 GLY A 201
ALA A 180
VAL A  56
TYR A  60
LEU A 312
 None
 1.19A 4pd9A-3rmgA:
1.7		 4pd9A-3rmgA:
23.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tij NUPC FAMILY PROTEIN

(Vibrio cholerae) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		5 GLY A 153
ALA A 185
VAL A 188
TYR A 192
ASN A 405
 NA  A 421 ( 3.9A)
URI  A 419 ( 3.8A)
None
None
None
 1.22A 4pd9A-3tijA:
71.3		 4pd9A-3tijA:
99.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tij NUPC FAMILY PROTEIN

(Vibrio cholerae) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		12 GLY A 153
GLN A 154
GLU A 156
ALA A 185
VAL A 188
TYR A 192
LEU A 259
GLU A 332
PHE A 366
ASN A 368
SER A 371
ILE A 374
 NA  A 421 ( 3.9A)
URI  A 419 (-3.9A)
URI  A 419 ( 4.3A)
URI  A 419 ( 3.8A)
None
None
URI  A 419 ( 4.9A)
URI  A 419 (-3.0A)
URI  A 419 (-3.9A)
URI  A 419 (-3.7A)
URI  A 419 (-2.6A)
URI  A 419 (-4.0A)
 0.24A 4pd9A-3tijA:
71.3		 4pd9A-3tijA:
99.53
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.
3tj0 NUCLEOPROTEIN

(Influenza B
virus) 		PF00506
(Flu_NP) 		5 GLN A 109
ALA A 113
TYR A  90
SER A 370
ILE A 371
 None
 1.19A 4pd9A-3tj0A:
undetectable		 4pd9A-3tj0A:
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.
4bc7 ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE,
PEROXISOMAL

(Cavia porcellus) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 GLY A 493
ALA A 488
LEU A 468
PHE A 395
SER A 464
 None
 1.01A 4pd9A-4bc7A:
undetectable		 4pd9A-4bc7A:
22.49
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.
4ecf ABC-TYPE PHOSPHATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Lactobacillus
brevis) 		PF12849
(PBP_like_2) 		5 GLY A  51
ALA A  50
VAL A 256
LEU A 239
ILE A  35
 None
 1.22A 4pd9A-4ecfA:
undetectable		 4pd9A-4ecfA:
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.
4eu2 PROTEASOME COMPONENT
C7-ALPHA

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ALA A 168
VAL A  45
PHE A 186
SER A 189
ILE A 191
 None
 1.17A 4pd9A-4eu2A:
undetectable		 4pd9A-4eu2A:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gxb SORTING NEXIN-17

(Homo sapiens) 		no annotation 5 ALA A 292
LEU A 376
PHE A 274
SER A 366
ILE A 364
 None
 1.17A 4pd9A-4gxbA:
undetectable		 4pd9A-4gxbA:
23.09
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.
4h3z TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Paraburkholderia
phymatum) 		PF01746
(tRNA_m1G_MT) 		5 GLY A  32
VAL A 157
LEU A  16
PHE A   3
ILE A   5
 None
 1.26A 4pd9A-4h3zA:
undetectable		 4pd9A-4h3zA:
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.
4hzh PROTHROMBIN

(Homo sapiens) 		PF00051
(Kringle)
PF00089
(Trypsin)
PF09396
(Thrombin_light) 		5 GLY A 349
GLN A 335
ALA A 350
VAL A 358
SER A 332
 None
 1.21A 4pd9A-4hzhA:
undetectable		 4pd9A-4hzhA:
20.70
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.
4i8v CYTOCHROME P450 1A1

(Homo sapiens) 		PF00067
(p450) 		5 GLY A 316
ALA A 317
LEU A 496
SER A 120
ILE A 115
 BHF  A 602 (-3.5A)
BHF  A 602 ( 3.4A)
None
BHF  A 602 ( 4.5A)
BHF  A 602 (-4.7A)
 1.10A 4pd9A-4i8vA:
0.7		 4pd9A-4i8vA:
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.
4irf MALARIAL CLPB2
ATPASE/HSP101
PROTEIN

(Plasmodium
falciparum) 		PF02861
(Clp_N) 		5 GLY A 120
ALA A 100
VAL A 112
ASN A  89
ILE A  40
 None
 1.13A 4pd9A-4irfA:
undetectable		 4pd9A-4irfA:
17.85
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.
4oc9 PUTATIVE
O-ACETYLHOMOSERINE
(THIOL)-LYASE

(Campylobacter
jejuni) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A 161
TYR A 332
LEU A 134
SER A 177
ILE A 148
 None
 1.13A 4pd9A-4oc9A:
undetectable		 4pd9A-4oc9A:
24.48
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.
4ofl EXTRACYTOPLASMIC
NICKEL-BINDING
PROTEIN YPYNTA

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		5 ALA A 457
LEU A 355
PHE A 233
ASN A 250
ILE A 258
 None
 1.12A 4pd9A-4oflA:
undetectable		 4pd9A-4oflA:
23.18
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.
4p3i P DOMAIN OF VP1

(Norwalk virus) 		PF00915
(Calici_coat)
PF08435
(Calici_coat_C) 		5 GLU A 450
ALA A 285
VAL A 288
SER A 431
ILE A 251
 None
 1.21A 4pd9A-4p3iA:
undetectable		 4pd9A-4p3iA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		5 GLY A  67
ALA A  66
LEU A 122
ASN A 127
ILE A 137
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.9A)
None
None
PO4  A 502 (-3.4A)
 1.12A 4pd9A-4pr3A:
undetectable		 4pd9A-4pr3A:
20.93
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.
4rqu ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 209
ALA A 211
VAL A 240
LEU A 203
ILE A 371
 None
 1.24A 4pd9A-4rquA:
undetectable		 4pd9A-4rquA:
23.57
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.
4tum ANKYRIN REPEAT
DOMAIN-CONTAINING
PROTEIN 2

(Arabidopsis
thaliana) 		PF13637
(Ank_4) 		5 GLY A 293
GLN A 329
ALA A 291
VAL A 300
LEU A 336
 None
 1.13A 4pd9A-4tumA:
undetectable		 4pd9A-4tumA:
15.84
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.
4u48 PUTATIVE INNER
MEMBRANE LIPOPROTEIN

(Salmonella
enterica) 		PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
PF11974
(MG1) 		5 GLY A1518
ALA A1609
VAL A1642
TYR A1615
ASN A1018
 None
 1.14A 4pd9A-4u48A:
undetectable		 4pd9A-4u48A:
14.36
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.
4w5j ADENYLATE KINASE

(Streptococcus
pneumoniae) 		PF00406
(ADK) 		5 GLY A  12
GLN A  16
ALA A  11
VAL A 116
ILE A 204
 AP5  A 302 (-3.3A)
None
AP5  A 302 (-4.5A)
None
None
 1.14A 4pd9A-4w5jA:
undetectable		 4pd9A-4w5jA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zwl BETAINE-ALDEHYDE
DEHYDROGENASE

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		5 GLY A 292
ALA A 291
VAL A 288
TYR A 158
PHE A 448
 None
 1.11A 4pd9A-4zwlA:
undetectable		 4pd9A-4zwlA:
24.73
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.
5b04 TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT ALPHA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		5 GLY A 210
ALA A 211
VAL A 214
LEU A 319
ILE A 125
 PO4  A 401 ( 4.0A)
None
None
None
None
 0.94A 4pd9A-5b04A:
undetectable		 4pd9A-5b04A:
21.35
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.
5g3y ADENYLATE KINSE

(synthetic
construct) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 GLY A  12
GLN A  16
ALA A  11
VAL A 115
ILE A 208
 ADP  A1215 (-3.2A)
None
ADP  A1215 (-4.0A)
None
None
 1.17A 4pd9A-5g3yA:
undetectable		 4pd9A-5g3yA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gmb TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Pseudomonas
aeruginosa) 		PF00588
(SpoU_methylase) 		5 GLY A  20
ALA A 147
VAL A 150
LEU A   9
ILE A  56
 None
 1.23A 4pd9A-5gmbA:
undetectable		 4pd9A-5gmbA:
17.72
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.
5ic1 TALIN-1

(Mus musculus) 		no annotation 5 ALA A1610
VAL A1640
LEU A1403
SER A1411
ILE A1410
 None
None
EDO  A1903 ( 4.6A)
None
None
 1.22A 4pd9A-5ic1A:
0.0		 4pd9A-5ic1A:
24.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l26 NUCLEOSIDE PERMEASE

(Neisseria
wadsworthii) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		5 GLY A 153
ALA A 185
VAL A 188
TYR A 192
ASN A 405
 NA  A 506 (-3.8A)
URI  A 505 ( 3.7A)
None
None
None
 1.14A 4pd9A-5l26A:
63.9		 4pd9A-5l26A:
67.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l26 NUCLEOSIDE PERMEASE

(Neisseria
wadsworthii) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		9 GLY A 153
GLN A 154
ALA A 185
VAL A 188
TYR A 192
GLU A 332
PHE A 366
ASN A 368
SER A 371
 NA  A 506 (-3.8A)
URI  A 505 (-3.9A)
URI  A 505 ( 3.7A)
None
None
URI  A 505 (-3.2A)
URI  A 505 (-3.8A)
URI  A 505 (-3.2A)
URI  A 505 (-2.4A)
 0.38A 4pd9A-5l26A:
63.9		 4pd9A-5l26A:
67.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l26 NUCLEOSIDE PERMEASE

(Neisseria
wadsworthii) 		PF01773
(Nucleos_tra2_N)
PF07662
(Nucleos_tra2_C)
PF07670
(Gate) 		7 GLY A 153
GLU A 156
ALA A 185
VAL A 188
TYR A 192
GLU A 332
PHE A 366
 NA  A 506 (-3.8A)
None
URI  A 505 ( 3.7A)
None
None
URI  A 505 (-3.2A)
URI  A 505 (-3.8A)
 0.78A 4pd9A-5l26A:
63.9		 4pd9A-5l26A:
67.14
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.
5mrv CARBOXYPEPTIDASE O

(Homo sapiens) 		no annotation 5 GLY A  57
ALA A 197
VAL A 198
LEU A 127
ILE A 132
 None
 1.09A 4pd9A-5mrvA:
undetectable		 4pd9A-5mrvA:
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
ATP-BINDING SUBUNIT

(Escherichia
coli) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 GLY B 299
ALA B 298
VAL B 531
LEU B 558
ILE B 465
 None
 1.26A 4pd9A-5mrwB:
undetectable		 4pd9A-5mrwB:
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.
5nii THIOREDOXIN
REDUCTASE

(Desulfovibrio
vulgaris) 		no annotation 5 GLY A 148
ALA A 226
GLU A 229
SER A 177
ILE A 178
 None
 1.07A 4pd9A-5niiA:
undetectable		 4pd9A-5niiA:
11.61
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.
5swn FLUOROACETATE
DEHALOGENASE

(Rhodopseudomonas
palustris) 		PF00561
(Abhydrolase_1) 		5 GLN A  91
ALA A  89
VAL A 115
LEU A  37
ILE A  23
 None
 1.22A 4pd9A-5swnA:
undetectable		 4pd9A-5swnA:
23.87
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.
5th3 R-SWAI PROTEIN

(Staphylococcus
warneri) 		no annotation 5 GLY A  37
ALA A  96
VAL A 130
LEU A  44
ILE A  30
 None
 1.03A 4pd9A-5th3A:
undetectable		 4pd9A-5th3A:
16.28
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.
5u9o PLASTID DIVISION
PROTEIN CDP1,
CHLOROPLASTIC,PLASTI
D DIVISION PROTEIN
PDV1

(Arabidopsis
thaliana) 		no annotation 5 GLY A 709
TYR A 790
LEU A 732
GLU A 775
PHE A 745
 None
 1.03A 4pd9A-5u9oA:
undetectable		 4pd9A-5u9oA:
10.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vgb ANTI-CRISPR PROTEIN
(ACRIIC1)

(Neisseria
meningitidis) 		no annotation 5 GLY B   8
GLU B  27
ALA B  11
VAL B  31
TYR B  33
 GOL  B 101 (-3.4A)
GOL  B 101 (-3.1A)
GOL  B 101 ( 4.8A)
None
None
 1.21A 4pd9A-5vgbB:
undetectable		 4pd9A-5vgbB:
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.
5vgb ANTI-CRISPR PROTEIN
(ACRIIC1)
CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Neisseria
meningitidis) 		PF13395
(HNH_4)
no annotation 		5 GLY B   8
ALA B  11
VAL B  31
TYR B  33
ASN A  98
 GOL  B 101 (-3.4A)
GOL  B 101 ( 4.8A)
None
None
None
 1.15A 4pd9A-5vgbB:
undetectable		 4pd9A-5vgbB:
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.
5ws4 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Acinetobacter
baumannii) 		no annotation 5 GLN A 424
VAL A 439
PHE A 428
ASN A 433
ILE A 451
 None
 1.14A 4pd9A-5ws4A:
undetectable		 4pd9A-5ws4A:
22.90
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.
5y6r GENOME POLYPROTEIN

(Pestivirus C) 		no annotation 5 GLN A 402
GLU A 177
TYR A 256
LEU A 358
GLU A 258
 None
 1.06A 4pd9A-5y6rA:
undetectable		 4pd9A-5y6rA:
9.91
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.
6ar2 SARCOLEMMAL
MEMBRANE-ASSOCIATED
PROTEIN

(Homo sapiens) 		no annotation 5 ALA A  44
VAL A  22
LEU A  24
PHE A   8
ILE A  97
 None
 1.26A 4pd9A-6ar2A:
undetectable		 4pd9A-6ar2A:
10.43
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.
6b0n ENVELOPE
GLYCOPROTEIN GP140

(Human
immunodeficiency
virus 1) 		no annotation 5 GLY G 312
VAL G 120
LEU G 122
SER G 306
ILE G 307
 None
 1.18A 4pd9A-6b0nG:
undetectable		 4pd9A-6b0nG:
14.03
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.
6bp2 ENVELOPE
GLYCOPROTEIN
MR191 FAB HEAVY
CHAIN

(Homo sapiens;
Marburg
marburgvirus) 		no annotation 5 GLY A 127
GLN A 128
TYR H  61
LEU H 110
SER H  56
 None
 1.17A 4pd9A-6bp2A:
undetectable		 4pd9A-6bp2A:
12.53