SIMILAR PATTERNS OF AMINO ACIDS FOR 5D0X_Y_BO2Y301

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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 THR B 272
ALA B 298
GLY B 281
GLY B 280
ASP B 362
 None
None
None
None
HAE  B 800 ( 2.5A)
 0.99A 5d0xY-1e9yB:
undetectable
5d0xZ-1e9yB:
undetectable		 5d0xY-1e9yB:
17.52
5d0xZ-1e9yB:
17.33
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.
1gk2 HISTIDINE
AMMONIA-LYASE

(Pseudomonas
putida) 		PF00221
(Lyase_aromatic) 		5 SER A 139
ALA A 199
ALA A 202
GLY A 144
GLY A 196
 None
 1.08A 5d0xY-1gk2A:
undetectable
5d0xZ-1gk2A:
undetectable		 5d0xY-1gk2A:
18.15
5d0xZ-1gk2A:
19.23
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 THR A  35
ALA A 572
GLY A 106
GLY A 105
ALA A 232
 FAD  A 600 (-2.8A)
None
FAD  A 600 (-3.0A)
None
None
 1.08A 5d0xY-1gpeA:
undetectable
5d0xZ-1gpeA:
undetectable		 5d0xY-1gpeA:
16.52
5d0xZ-1gpeA:
17.04
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.
1ib1 14-3-3 ZETA ISOFORM

(Homo sapiens) 		PF00244
(14-3-3) 		5 SER A 156
ALA A 152
ALA A 148
GLY A 169
ASP A 124
 None
 0.94A 5d0xY-1ib1A:
undetectable
5d0xZ-1ib1A:
undetectable		 5d0xY-1ib1A:
22.76
5d0xZ-1ib1A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
 0.24A 5d0xY-1j2qH:
16.6
5d0xZ-1j2qH:
24.6		 5d0xY-1j2qH:
29.91
5d0xZ-1j2qH:
26.36
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.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
 0.76A 5d0xY-1j2qH:
16.6
5d0xZ-1j2qH:
24.6		 5d0xY-1j2qH:
29.91
5d0xZ-1j2qH:
26.36
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.
1n2f ORGANIC
HYDROPEROXIDE
RESISTANCE PROTEIN

(Pseudomonas
aeruginosa) 		PF02566
(OsmC) 		5 ALA A  22
THR A  13
ALA A  12
GLY A  16
GLY A  17
 None
 1.03A 5d0xY-1n2fA:
undetectable
5d0xZ-1n2fA:
undetectable		 5d0xY-1n2fA:
23.08
5d0xZ-1n2fA:
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.
1nb2 NUCLEOSIDE
DIPHOSPHATE KINASE

(Virgibacillus
halodenitrificans) 		PF00334
(NDK) 		5 ALA A  85
THR A  84
ALA A  82
GLY A  90
ASP A 119
 None
 1.03A 5d0xY-1nb2A:
undetectable
5d0xZ-1nb2A:
undetectable		 5d0xY-1nb2A:
22.69
5d0xZ-1nb2A:
22.02
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 None
 0.67A 5d0xY-1q5qH:
14.9
5d0xZ-1q5qH:
22.3		 5d0xY-1q5qH:
27.50
5d0xZ-1q5qH:
24.50
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		6 ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 None
 0.39A 5d0xY-1q5qH:
14.9
5d0xZ-1q5qH:
22.3		 5d0xY-1q5qH:
27.50
5d0xZ-1q5qH:
24.50
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.
1q5r PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 ALA H  20
THR H  21
ALA H  27
GLY H  47
ALA H  49
 None
 0.51A 5d0xY-1q5rH:
13.5
5d0xZ-1q5rH:
22.1		 5d0xY-1q5rH:
23.23
5d0xZ-1q5rH:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qnt METHYLATED-DNA--PROT
EIN-CYSTEINE
METHYLTRANSFERASE

(Homo sapiens) 		PF01035
(DNA_binding_1)
PF02870
(Methyltransf_1N) 		5 ALA A 118
ALA A 121
GLY A 131
GLY A 132
ALA A 129
 None
 1.06A 5d0xY-1qntA:
undetectable
5d0xZ-1qntA:
undetectable		 5d0xY-1qntA:
22.94
5d0xZ-1qntA:
19.40
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.
1rc2 AQUAPORIN Z

(Escherichia
coli) 		no annotation 5 ALA B 162
ALA B 165
GLY B  59
GLY B  60
ALA B  51
 None
 1.07A 5d0xY-1rc2B:
undetectable
5d0xZ-1rc2B:
undetectable		 5d0xY-1rc2B:
25.00
5d0xZ-1rc2B:
24.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rhy IMIDAZOLE GLYCEROL
PHOSPHATE
DEHYDRATASE

(Cryptococcus
neoformans) 		PF00475
(IGPD) 		5 ALA A  49
THR A  48
GLY A  55
GLY A  54
ALA A 178
 None
 1.06A 5d0xY-1rhyA:
undetectable
5d0xZ-1rhyA:
undetectable		 5d0xY-1rhyA:
21.36
5d0xZ-1rhyA:
22.36
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		5 ALA A 240
ALA A 241
GLY A 282
GLY A 283
ALA A 284
 None
 1.07A 5d0xY-1u7gA:
undetectable
5d0xZ-1u7gA:
undetectable		 5d0xY-1u7gA:
20.90
5d0xZ-1u7gA:
21.76
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.
1v6u ENDO-1,4-BETA-D-XYLA
NASE

(Streptomyces
olivaceoviridis) 		PF00331
(Glyco_hydro_10)
PF00652
(Ricin_B_lectin) 		5 ALA A 295
THR A 294
GLY A 303
GLY A 302
ALA A 299
 None
 1.07A 5d0xY-1v6uA:
undetectable
5d0xZ-1v6uA:
undetectable		 5d0xY-1v6uA:
20.51
5d0xZ-1v6uA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 ALA A 226
THR A 210
ALA A 211
GLY A 244
ALA A 254
 None
 1.00A 5d0xY-1zj9A:
undetectable
5d0xZ-1zj9A:
undetectable		 5d0xY-1zj9A:
17.91
5d0xZ-1zj9A:
17.76
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.
2c63 14-3-3 PROTEIN ETA

(Homo sapiens) 		PF00244
(14-3-3) 		5 SER A 161
ALA A 157
ALA A 153
GLY A 174
ASP A 129
 None
 1.03A 5d0xY-2c63A:
undetectable
5d0xZ-2c63A:
undetectable		 5d0xY-2c63A:
22.05
5d0xZ-2c63A:
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.
2d2x 2-DEOXY-SCYLLO-INOSO
SE SYNTHASE

(Bacillus
circulans) 		PF01761
(DHQ_synthase) 		5 SER A 136
ALA A 133
ALA A 164
GLY A 104
GLY A 103
 None
None
None
GOL  A 607 (-4.1A)
CO  A 603 (-3.1A)
 1.05A 5d0xY-2d2xA:
undetectable
5d0xZ-2d2xA:
undetectable		 5d0xY-2d2xA:
18.70
5d0xZ-2d2xA:
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.
2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 ALA A 294
ALA A 293
GLY A 101
GLY A 100
ALA A  97
 None
 1.06A 5d0xY-2elcA:
undetectable
5d0xZ-2elcA:
undetectable		 5d0xY-2elcA:
20.12
5d0xZ-2elcA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gs8 MEVALONATE
PYROPHOSPHATE
DECARBOXYLASE

(Streptococcus
pyogenes) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 SER A  33
ALA A 152
ALA A 151
GLY A 158
ALA A 159
 None
 1.08A 5d0xY-2gs8A:
undetectable
5d0xZ-2gs8A:
undetectable		 5d0xY-2gs8A:
20.31
5d0xZ-2gs8A:
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.
2id3 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF16859
(TetR_C_11) 		5 ALA A  27
ALA A  30
GLY A  64
GLY A  63
ALA A  66
 None
 1.09A 5d0xY-2id3A:
undetectable
5d0xZ-2id3A:
undetectable		 5d0xY-2id3A:
19.82
5d0xZ-2id3A:
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.
2iun AVIAN ADENOVIRUS
CELO LONG FIBRE

(Fowl
aviadenovirus A) 		PF16812
(AdHead_fibreRBD) 		5 ALA A 586
THR A 587
ALA A 620
GLY A 679
ALA A 680
 None
 1.07A 5d0xY-2iunA:
undetectable
5d0xZ-2iunA:
undetectable		 5d0xY-2iunA:
23.14
5d0xZ-2iunA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pne 6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN

(Hypogastrura
harveyi) 		no annotation 5 ALA A  20
ALA A  19
GLY A  79
GLY A  61
ASP A   5
 None
 1.02A 5d0xY-2pneA:
undetectable
5d0xZ-2pneA:
undetectable		 5d0xY-2pneA:
17.92
5d0xZ-2pneA:
15.96
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.
2puz IMIDAZOLONEPROPIONAS
E

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1) 		5 ALA A 290
ALA A 294
GLY A 264
GLY A 265
ALA A 266
 None
 1.09A 5d0xY-2puzA:
undetectable
5d0xZ-2puzA:
undetectable		 5d0xY-2puzA:
19.76
5d0xZ-2puzA:
20.43
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.
2r6h NADH:UBIQUINONE
OXIDOREDUCTASE, NA
TRANSLOCATING, F
SUBUNIT

(Porphyromonas
gingivalis) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ALA A 291
ALA A 214
GLY A 286
GLY A 287
ALA A 288
 FAD  A   1 ( 3.9A)
None
None
None
FAD  A   1 ( 3.7A)
 0.86A 5d0xY-2r6hA:
undetectable
5d0xZ-2r6hA:
undetectable		 5d0xY-2r6hA:
20.68
5d0xZ-2r6hA:
20.13
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.
2rqw BUD EMERGENCE
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00018
(SH3_1) 		5 THR A 175
ALA A 168
GLY A 202
GLY A 203
ASP A 172
 None
 0.95A 5d0xY-2rqwA:
undetectable
5d0xZ-2rqwA:
undetectable		 5d0xY-2rqwA:
20.37
5d0xZ-2rqwA:
21.64
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.
2w2g NON-STRUCTURAL
PROTEIN 3

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF11633
(SUD-M) 		5 SER A 626
ALA A 590
GLY A 491
GLY A 494
ALA A 493
 None
 0.94A 5d0xY-2w2gA:
undetectable
5d0xZ-2w2gA:
undetectable		 5d0xY-2w2gA:
21.82
5d0xZ-2w2gA:
20.45
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.
2yrr AMINOTRANSFERASE,
CLASS V

(Thermus
thermophilus) 		PF00266
(Aminotran_5) 		6 SER A 184
ALA A  56
ALA A  55
GLY A 193
GLY A  59
ALA A  58
 None
 1.47A 5d0xY-2yrrA:
undetectable
5d0xZ-2yrrA:
undetectable		 5d0xY-2yrrA:
19.02
5d0xZ-2yrrA:
20.47
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.
2z22 PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Yersinia pestis) 		no annotation 5 THR X  10
ALA X  13
GLY X  40
GLY X  41
ALA X   7
 PO4  X2322 (-2.9A)
None
None
None
None
 1.08A 5d0xY-2z22X:
undetectable
5d0xZ-2z22X:
undetectable		 5d0xY-2z22X:
22.60
5d0xZ-2z22X:
20.12
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.
3aar ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE I

(Legionella
pneumophila) 		PF01150
(GDA1_CD39) 		5 SER A  55
ALA A 117
THR A 118
GLY A  84
ALA A  86
 None
 0.92A 5d0xY-3aarA:
undetectable
5d0xZ-3aarA:
undetectable		 5d0xY-3aarA:
20.69
5d0xZ-3aarA:
19.28
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.
3bog 6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN

(Hypogastrura
harveyi) 		no annotation 5 ALA A  20
ALA A  19
GLY A  79
GLY A  61
ASP A   5
 None
 1.04A 5d0xY-3bogA:
undetectable
5d0xZ-3bogA:
undetectable		 5d0xY-3bogA:
17.45
5d0xZ-3bogA:
15.96
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.
3faj PUTATIVE
UNCHARACTERIZED
PROTEIN

(Acidianus
two-tailed
virus) 		no annotation 5 ALA A  43
ALA A  46
GLY A  14
GLY A  13
ALA A  12
 None
 0.97A 5d0xY-3fajA:
undetectable
5d0xZ-3fajA:
undetectable		 5d0xY-3fajA:
23.04
5d0xZ-3fajA:
21.55
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.
3fj1 PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Ruegeria
pomeroyi) 		PF01380
(SIS) 		5 SER A 239
ALA A 273
ALA A 293
GLY A 211
ALA A 260
 None
 1.02A 5d0xY-3fj1A:
undetectable
5d0xZ-3fj1A:
undetectable		 5d0xY-3fj1A:
22.25
5d0xZ-3fj1A:
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.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		5 SER A 211
ALA A 215
ALA A 219
GLY A 184
ALA A 204
 None
None
None
GOL  A 322 ( 3.7A)
None
 1.09A 5d0xY-3grzA:
undetectable
5d0xZ-3grzA:
undetectable		 5d0xY-3grzA:
23.40
5d0xZ-3grzA:
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.
3hn7 UDP-N-ACETYLMURAMATE
-L-ALANINE LIGASE

(Psychrobacter
arcticus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A 345
THR A 344
ALA A 348
GLY A 339
ALA A 335
 None
 1.05A 5d0xY-3hn7A:
undetectable
5d0xZ-3hn7A:
undetectable		 5d0xY-3hn7A:
17.43
5d0xZ-3hn7A:
16.96
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.
3iau THREONINE DEAMINASE

(Solanum
lycopersicum) 		PF00291
(PALP) 		5 ALA A 126
ALA A  95
GLY A 154
GLY A 155
ALA A 134
 None
LLP  A  91 ( 3.6A)
None
None
None
 0.90A 5d0xY-3iauA:
undetectable
5d0xZ-3iauA:
undetectable		 5d0xY-3iauA:
20.77
5d0xZ-3iauA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ifr CARBOHYDRATE KINASE,
FGGY

(Rhodospirillum
rubrum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A 441
ALA A 438
GLY A 241
GLY A 242
ALA A 243
 None
 1.01A 5d0xY-3ifrA:
undetectable
5d0xZ-3ifrA:
undetectable		 5d0xY-3ifrA:
18.15
5d0xZ-3ifrA:
19.83
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.
3jru PROBABLE CYTOSOL
AMINOPEPTIDASE

(Xanthomonas
oryzae) 		no annotation 5 ALA B 202
THR B 201
ALA B 199
GLY B 207
ALA B 206
 None
 1.09A 5d0xY-3jruB:
undetectable
5d0xZ-3jruB:
undetectable		 5d0xY-3jruB:
19.08
5d0xZ-3jruB:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lki FRUCTOKINASE

(Xylella
fastidiosa) 		PF00294
(PfkB) 		5 ALA A  99
THR A  98
ALA A 120
GLY A  44
GLY A  45
 None
 0.78A 5d0xY-3lkiA:
undetectable
5d0xZ-3lkiA:
undetectable		 5d0xY-3lkiA:
20.11
5d0xZ-3lkiA:
20.72
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.
3m1u PUTATIVE
GAMMA-D-GLUTAMYL-L-D
IAMINO ACID
ENDOPEPTIDASE

(Desulfovibrio
vulgaris) 		PF00877
(NLPC_P60)
PF12912
(N_NLPC_P60)
PF12913
(SH3_6)
PF12914
(SH3_7) 		5 SER A 335
ALA A 185
THR A 184
ALA A 155
GLY A 323
 GOL  A   3 (-4.0A)
GOL  A   3 (-4.1A)
GOL  A   3 (-4.0A)
None
None
 0.75A 5d0xY-3m1uA:
undetectable
5d0xZ-3m1uA:
undetectable		 5d0xY-3m1uA:
18.31
5d0xZ-3m1uA:
18.80
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 5 THR N  21
ALA N  27
LYS N  33
GLY N  47
ALA N  49
 None
 0.59A 5d0xY-3mg6N:
16.7
5d0xZ-3mg6N:
25.1		 5d0xY-3mg6N:
26.70
5d0xZ-3mg6N:
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.
3nwa ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 5 ALA B 211
THR B 221
ALA B 222
ALA B 190
ASP B 188
 None
 0.94A 5d0xY-3nwaB:
undetectable
5d0xZ-3nwaB:
undetectable		 5d0xY-3nwaB:
13.92
5d0xZ-3nwaB:
15.19
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.
3pk0 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 ALA A  34
ALA A  78
GLY A  14
GLY A  13
ALA A  36
 None
 1.04A 5d0xY-3pk0A:
undetectable
5d0xZ-3pk0A:
undetectable		 5d0xY-3pk0A:
22.10
5d0xZ-3pk0A:
21.40
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.
3qd9 QSOX FROM
TRYPANOSOMA BRUCEI
(TBQSOX)

(Trypanosoma
brucei) 		PF00085
(Thioredoxin)
PF04777
(Evr1_Alr) 		5 THR A  78
ALA A  76
GLY A  84
ALA A  83
ASP A  37
 None
 1.08A 5d0xY-3qd9A:
undetectable
5d0xZ-3qd9A:
undetectable		 5d0xY-3qd9A:
18.99
5d0xZ-3qd9A:
19.03
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.
3r64 NAD DEPENDENT
BENZALDEHYDE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00171
(Aldedh) 		5 SER A 412
ALA A 409
ALA A 406
GLY A 415
ALA A 418
 SER  A 412 ( 0.0A)
ALA  A 409 ( 0.0A)
ALA  A 406 ( 0.0A)
GLY  A 415 ( 0.0A)
ALA  A 418 ( 0.0A)
 0.96A 5d0xY-3r64A:
undetectable
5d0xZ-3r64A:
undetectable		 5d0xY-3r64A:
17.26
5d0xZ-3r64A:
18.73
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.
3r9b CYTOCHROME P450
164A2

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		5 ALA A 333
ALA A 334
GLY A  41
GLY A  42
ASP A  59
 None
 1.03A 5d0xY-3r9bA:
undetectable
5d0xZ-3r9bA:
undetectable		 5d0xY-3r9bA:
20.83
5d0xZ-3r9bA:
19.95
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.
3rij SC_2CX5

(Thermus
thermophilus) 		PF04073
(tRNA_edit) 		5 ALA A  87
ALA A  91
GLY A  56
GLY A  59
ALA A  60
 None
 0.99A 5d0xY-3rijA:
undetectable
5d0xZ-3rijA:
undetectable		 5d0xY-3rijA:
24.42
5d0xZ-3rijA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s6l HEP_HAG FAMILY

(Burkholderia
pseudomallei) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		6 ALA A  97
THR A 103
ALA A  88
GLY A 106
GLY A  92
ALA A  95
 None
 1.44A 5d0xY-3s6lA:
undetectable
5d0xZ-3s6lA:
undetectable		 5d0xY-3s6lA:
22.94
5d0xZ-3s6lA:
21.76
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		5 ALA A 113
THR A 112
ALA A 133
GLY A  58
GLY A  59
 None
None
None
ADN  A 353 (-3.3A)
ADN  A 353 (-3.2A)
 1.01A 5d0xY-3uboA:
undetectable
5d0xZ-3uboA:
undetectable		 5d0xY-3uboA:
22.44
5d0xZ-3uboA:
20.67
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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 04C  H 301 (-3.9A)
04C  H 301 (-3.9A)
None
04C  H 301 (-3.5A)
04C  H 301 (-3.7A)
04C  H 301 (-3.6A)
 0.55A 5d0xY-3unfH:
17.4
5d0xZ-3unfH:
25.4		 5d0xY-3unfH:
25.74
5d0xZ-3unfH:
25.10
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.
3whl PROTEASOME-ACTIVATIN
G NUCLEOTIDASE, 26S
PROTEASE REGULATORY
SUBUNIT 6A

(Pyrococcus
furiosus;
Saccharomyces
cerevisiae) 		PF00004
(AAA) 		5 ALA A 358
ALA A 380
GLY A 184
GLY A 185
ASP A 353
 ALA  A 358 ( 0.0A)
ALA  A 380 ( 0.0A)
GLY  A 184 (-0.0A)
GLY  A 185 ( 0.0A)
ASP  A 353 ( 0.6A)
 1.03A 5d0xY-3whlA:
undetectable
5d0xZ-3whlA:
undetectable		 5d0xY-3whlA:
20.59
5d0xZ-3whlA:
22.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wxr PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		7 ALA L  20
THR L  21
ALA L  27
LYS L  33
GLY L  47
GLY L  48
ALA L  49
 None
 0.72A 5d0xY-3wxrL:
38.0
5d0xZ-3wxrL:
23.0		 5d0xY-3wxrL:
75.44
5d0xZ-3wxrL:
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.
4c6o CAD PROTEIN

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 ALA A1490
THR A1489
GLY A1496
GLY A1495
ALA A1494
 None
 1.02A 5d0xY-4c6oA:
undetectable
5d0xZ-4c6oA:
undetectable		 5d0xY-4c6oA:
20.63
5d0xZ-4c6oA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dhz UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans;
Homo sapiens) 		PF10275
(Peptidase_C65) 		5 ALA A  64
GLY A 242
GLY A 243
ALA A 239
ASP A 235
 None
 1.03A 5d0xY-4dhzA:
undetectable
5d0xZ-4dhzA:
undetectable		 5d0xY-4dhzA:
22.74
5d0xZ-4dhzA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dio NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA PART 1

(Sinorhizobium
meliloti) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 ALA A  97
THR A  96
ALA A  94
GLY A 117
ALA A 118
 None
 1.08A 5d0xY-4dioA:
undetectable
5d0xZ-4dioA:
undetectable		 5d0xY-4dioA:
20.95
5d0xZ-4dioA:
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 ALA A 111
THR A 110
ALA A 131
GLY A  56
GLY A  57
 None
None
None
ADN  A 500 (-3.5A)
ADN  A 500 (-3.7A)
 1.01A 5d0xY-4e3aA:
undetectable
5d0xZ-4e3aA:
undetectable		 5d0xY-4e3aA:
21.49
5d0xZ-4e3aA:
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.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		5 ALA A  20
THR A  21
LYS A  33
GLY A  48
GLY A  49
 None
 0.57A 5d0xY-4g4eA:
10.8
5d0xZ-4g4eA:
18.8		 5d0xY-4g4eA:
27.60
5d0xZ-4g4eA:
23.61
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.
4i4n INTRACELLULAR
PROTEASE/AMIDASE

(Vibrio cholerae) 		no annotation 5 SER A 186
ALA A 210
GLY A 156
GLY A 157
ASP A 216
 None
 1.02A 5d0xY-4i4nA:
undetectable
5d0xZ-4i4nA:
undetectable		 5d0xY-4i4nA:
21.05
5d0xZ-4i4nA:
21.92
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.
4k5r OXYGENASE

(Streptomyces
argillaceus) 		PF01494
(FAD_binding_3) 		5 ALA A 124
ALA A 121
GLY A  35
GLY A  34
ALA A  33
 None
 0.88A 5d0xY-4k5rA:
undetectable
5d0xZ-4k5rA:
undetectable		 5d0xY-4k5rA:
17.11
5d0xZ-4k5rA:
16.88
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.
4mbg CAAX
FARNESYLTRANSFERASE
BETA SUBUNIT RAM1

(Aspergillus
fumigatus) 		PF00432
(Prenyltrans) 		5 SER B 202
ALA B 206
GLY B 192
GLY B 193
ALA B 183
 None
 1.08A 5d0xY-4mbgB:
undetectable
5d0xZ-4mbgB:
undetectable		 5d0xY-4mbgB:
16.70
5d0xZ-4mbgB:
16.76
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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		5 THR A  27
ALA A  29
GLY A 585
GLY A 584
ALA A 331
 None
None
FDA  A 801 (-3.4A)
None
None
 1.01A 5d0xY-4mifA:
undetectable
5d0xZ-4mifA:
undetectable		 5d0xY-4mifA:
16.55
5d0xZ-4mifA:
16.99
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.
4ou4 ALPHA/BETA HYDROLASE
FOLD-3 DOMAIN
PROTEIN

(Pseudomonas sp.
ECU1011) 		PF07859
(Abhydrolase_3) 		5 THR A 252
ALA A 253
GLY A 162
ALA A 159
ASP A 287
 None
 1.00A 5d0xY-4ou4A:
undetectable
5d0xZ-4ou4A:
undetectable		 5d0xY-4ou4A:
21.65
5d0xZ-4ou4A:
21.21
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.
4p98 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Conexibacter
woesei) 		PF02608
(Bmp) 		5 THR A 174
ALA A 173
GLY A 148
GLY A 181
ALA A 180
 None
BR  A 406 ( 4.7A)
None
None
BR  A 421 (-4.1A)
 0.99A 5d0xY-4p98A:
undetectable
5d0xZ-4p98A:
undetectable		 5d0xY-4p98A:
20.65
5d0xZ-4p98A:
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.
4qhb UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		5 ALA A 339
THR A 348
ALA A 338
GLY A 345
GLY A 342
 None
 1.03A 5d0xY-4qhbA:
undetectable
5d0xZ-4qhbA:
undetectable		 5d0xY-4qhbA:
19.18
5d0xZ-4qhbA:
23.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 ALA K  20
THR K  21
ALA K  27
LYS K  33
GLY K  47
 None
 0.81A 5d0xY-4qv9K:
38.6
5d0xZ-4qv9K:
23.3		 5d0xY-4qv9K:
99.06
5d0xZ-4qv9K:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qv9 PROTEASOME SUBUNIT
BETA TYPE-5

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		7 ALA K  20
THR K  21
ALA K  27
LYS K  33
GLY K  47
GLY K  48
ALA K  49
 None
 0.51A 5d0xY-4qv9K:
38.6
5d0xZ-4qv9K:
23.3		 5d0xY-4qv9K:
99.06
5d0xZ-4qv9K:
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.
4rvs PROBABLE QUINONE
REDUCTASE QOR
(NADPH:QUINONE
REDUCTASE)
(ZETA-CRYSTALLIN
HOMOLOG PROTEIN)

(Mycobacterium
tuberculosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 186
ALA A 188
GLY A 154
GLY A 153
ALA A 152
 None
 1.05A 5d0xY-4rvsA:
undetectable
5d0xZ-4rvsA:
undetectable		 5d0xY-4rvsA:
21.99
5d0xZ-4rvsA:
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.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		5 ALA A  82
THR A  81
GLY A  88
GLY A  87
ALA A  86
 None
 1.07A 5d0xY-4tqtA:
undetectable
5d0xZ-4tqtA:
undetectable		 5d0xY-4tqtA:
17.74
5d0xZ-4tqtA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE

(Rhizomucor
miehei) 		PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3) 		5 ALA A 505
ALA A 508
GLY A  84
GLY A  98
ALA A 101
 None
 1.03A 5d0xY-4zm6A:
undetectable
5d0xZ-4zm6A:
undetectable		 5d0xY-4zm6A:
13.68
5d0xZ-4zm6A:
13.49
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.
5ahm INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH) 		5 ALA A 278
THR A 279
ALA A 319
GLY A 251
GLY A 275
 None
 1.07A 5d0xY-5ahmA:
undetectable
5d0xZ-5ahmA:
undetectable		 5d0xY-5ahmA:
20.55
5d0xZ-5ahmA:
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.
5c54 DIHYDRODIPICOLINATE
SYNTHASE/N-ACETYLNEU
RAMINATE LYASE

(Corynebacterium
glutamicum) 		PF00701
(DHDPS) 		5 ALA A  79
THR A  78
ALA A  45
GLY A 100
ALA A  99
 None
 0.97A 5d0xY-5c54A:
undetectable
5d0xZ-5c54A:
undetectable		 5d0xY-5c54A:
23.10
5d0xZ-5c54A:
19.56
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.
5d8w ENDOGLUCANASE

(Ganoderma
lucidum) 		PF00150
(Cellulase) 		5 ALA A 184
THR A 183
ALA A 181
GLY A 189
ALA A 148
 None
 0.96A 5d0xY-5d8wA:
undetectable
5d0xZ-5d8wA:
undetectable		 5d0xY-5d8wA:
20.83
5d0xZ-5d8wA:
22.89
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.
5dip ALKYL HYDROPEROXIDE
REDUCTASE AHPD

(Legionella
pneumophila) 		PF02627
(CMD) 		5 ALA A 101
ALA A 104
GLY A  94
GLY A  93
ALA A  89
 None
 0.99A 5d0xY-5dipA:
undetectable
5d0xZ-5dipA:
undetectable		 5d0xY-5dipA:
20.77
5d0xZ-5dipA:
16.74
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.
5fb3 GLYCEROL-1-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Pyrobaculum
calidifontis) 		PF13685
(Fe-ADH_2) 		5 SER A 190
ALA A 164
GLY A 219
GLY A 221
ALA A 223
 None
 1.06A 5d0xY-5fb3A:
undetectable
5d0xZ-5fb3A:
undetectable		 5d0xY-5fb3A:
19.30
5d0xZ-5fb3A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 None
 0.50A 5d0xY-5fg9H:
21.0
5d0xZ-5fg9H:
23.1		 5d0xY-5fg9H:
29.34
5d0xZ-5fg9H:
24.22
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.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		6 ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
ASP J 138
 7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-2.6A)
 1.10A 5d0xY-5fmgI:
21.4
5d0xZ-5fmgI:
23.4		 5d0xY-5fmgI:
25.86
5d0xZ-5fmgI:
21.07
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
 7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
 0.96A 5d0xY-5fmgI:
21.4
5d0xZ-5fmgI:
23.4		 5d0xY-5fmgI:
25.86
5d0xZ-5fmgI:
21.07
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		6 ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
ALA I  49
 7F1  I 300 (-3.6A)
None
7F1  I 300 ( 3.8A)
7F1  I 300 (-4.7A)
7F1  I 300 (-3.8A)
7F1  I 300 (-3.5A)
 0.76A 5d0xY-5fmgI:
21.4
5d0xZ-5fmgI:
23.4		 5d0xY-5fmgI:
25.86
5d0xZ-5fmgI:
21.07
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ALA A 125
THR A 122
ALA A 124
GLY A 104
ALA A  57
 None
 1.06A 5d0xY-5gmsA:
undetectable
5d0xZ-5gmsA:
undetectable		 5d0xY-5gmsA:
19.54
5d0xZ-5gmsA:
22.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5l5w PROTEASOME SUBUNIT
BETA
TYPE-5,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		7 ALA K  20
THR K  21
ALA K  27
LYS K  33
GLY K  47
GLY K  48
ALA K  49
 None
 0.73A 5d0xY-5l5wK:
29.5
5d0xZ-5l5wK:
23.5		 5d0xY-5l5wK:
82.08
5d0xZ-5l5wK:
23.93
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.
5lu2 14-3-3 PROTEIN SIGMA

(Homo sapiens) 		PF00244
(14-3-3) 		5 SER A 158
ALA A 154
ALA A 150
GLY A 171
ASP A 126
 None
 1.03A 5d0xY-5lu2A:
undetectable
5d0xZ-5lu2A:
undetectable		 5d0xY-5lu2A:
20.49
5d0xZ-5lu2A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m23 WD REPEAT-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40) 		5 ALA A 317
ALA A 308
GLY A  77
GLY A  73
ALA A  74
 None
 1.04A 5d0xY-5m23A:
undetectable
5d0xZ-5m23A:
undetectable		 5d0xY-5m23A:
20.84
5d0xZ-5m23A:
19.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0g PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		PF00227
(Proteasome) 		5 ALA R  20
LYS R  33
GLY R  47
GLY R  48
ALA R  49
 None
 0.64A 5d0xY-5t0gR:
24.6
5d0xZ-5t0gR:
23.9		 5d0xY-5t0gR:
51.71
5d0xZ-5t0gR:
22.06
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.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 421
ALA A 509
GLY A 424
GLY A 468
ALA A 466
 None
 1.02A 5d0xY-5tf0A:
undetectable
5d0xZ-5tf0A:
undetectable		 5d0xY-5tf0A:
13.80
5d0xZ-5tf0A:
15.44
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.
5uni NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Thermus
thermophilus) 		PF02233
(PNTB) 		5 ALA B 229
ALA B  42
GLY B 219
GLY B 234
ALA B 233
 None
 1.07A 5d0xY-5uniB:
undetectable
5d0xZ-5uniB:
undetectable		 5d0xY-5uniB:
20.97
5d0xZ-5uniB:
20.07
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 7 ALA R  20
THR R  21
ALA R  27
LYS R  33
GLY R  47
GLY R  48
ALA R  49
 None
 0.53A 5d0xY-5vfrR:
19.3
5d0xZ-5vfrR:
23.6		 5d0xY-5vfrR:
undetectable
5d0xZ-5vfrR:
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.
5vlh PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF05922
(Inhibitor_I9) 		6 SER A 401
ALA A 397
ALA A 393
GLY A 176
GLY A 244
ALA A 245
 None
 1.24A 5d0xY-5vlhA:
undetectable
5d0xZ-5vlhA:
undetectable		 5d0xY-5vlhA:
18.52
5d0xZ-5vlhA:
21.10
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 ALA A1028
ALA A 994
GLY A1001
GLY A1002
ASP A1019
 None
 1.08A 5d0xY-5x7sA:
undetectable
5d0xZ-5x7sA:
undetectable		 5d0xY-5x7sA:
10.33
5d0xZ-5x7sA:
11.09
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 ALA A1028
ALA A 997
GLY A1001
GLY A1002
ALA A1003
 None
 1.05A 5d0xY-5x7sA:
undetectable
5d0xZ-5x7sA:
undetectable		 5d0xY-5x7sA:
10.33
5d0xZ-5x7sA:
11.09
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.
5xuo POLYKETIDE SYNTHASE
PKS13

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A 819
ALA A 822
GLY A 813
GLY A 812
ALA A 808
 None
 0.79A 5d0xY-5xuoA:
undetectable
5d0xZ-5xuoA:
undetectable		 5d0xY-5xuoA:
17.99
5d0xZ-5xuoA:
18.32
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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 6 ALA B  20
THR B  21
ALA B  27
LYS B  33
GLY B  47
ALA B  49
 None
 0.58A 5d0xY-6avoB:
12.4
5d0xZ-6avoB:
20.9		 5d0xY-6avoB:
19.89
5d0xZ-6avoB:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bar ROD SHAPE
DETERMINING PROTEIN
RODA

(Thermus
thermophilus) 		no annotation 5 ALA A 341
THR A 342
ALA A 344
GLY A 335
GLY A 336
 OLC  A 402 (-3.7A)
None
OLC  A 402 ( 3.9A)
None
OLC  A 402 ( 4.7A)
 1.06A 5d0xY-6barA:
undetectable
5d0xZ-6barA:
undetectable		 5d0xY-6barA:
17.26
5d0xZ-6barA:
18.05
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.
6bm8 ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 5 ALA A 211
THR A 221
ALA A 222
ALA A 190
ASP A 188
 None
 0.94A 5d0xY-6bm8A:
undetectable
5d0xZ-6bm8A:
undetectable		 5d0xY-6bm8A:
15.09
5d0xZ-6bm8A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6byn WD REPEAT-CONTAINING
PROTEIN 5

(Homo sapiens) 		no annotation 5 ALA W 317
ALA W 308
GLY W  77
GLY W  73
ALA W  74
 None
 0.95A 5d0xY-6bynW:
undetectable
5d0xZ-6bynW:
undetectable		 5d0xY-6bynW:
20.11
5d0xZ-6bynW:
18.31
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT B

(Pyrococcus
furiosus) 		no annotation 5 ALA F  43
THR F  44
ALA F  46
GLY F  37
GLY F  38
 None
 1.07A 5d0xY-6cfwF:
undetectable
5d0xZ-6cfwF:
undetectable		 5d0xY-6cfwF:
17.82
5d0xZ-6cfwF:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cyz HOMOSERINE KINASE

(Mycobacteroides
abscessus) 		no annotation 5 ALA A 169
THR A 170
GLY A 152
GLY A 151
ASP A 128
 None
 1.07A 5d0xY-6cyzA:
undetectable
5d0xZ-6cyzA:
undetectable		 5d0xY-6cyzA:
19.00
5d0xZ-6cyzA:
20.19
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.
6fel 14-3-3 PROTEIN GAMMA

(Homo sapiens) 		no annotation 5 SER A 161
ALA A 157
ALA A 153
GLY A 174
ASP A 129
 None
 1.05A 5d0xY-6felA:
undetectable
5d0xZ-6felA:
undetectable		 5d0xY-6felA:
16.26
5d0xZ-6felA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gbh HOPQ

(Helicobacter
pylori) 		no annotation 5 ALA C  59
THR C  58
ALA C  57
GLY C  65
ALA C  63
 None
 0.86A 5d0xY-6gbhC:
undetectable
5d0xZ-6gbhC:
undetectable		 5d0xY-6gbhC:
15.61
5d0xZ-6gbhC:
16.04
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.
6gu8 -

(-) 		no annotation 5 SER A 278
ALA A 262
ALA A 230
GLY A 285
GLY A 284
 None
 0.98A 5d0xY-6gu8A:
undetectable
5d0xZ-6gu8A:
undetectable		 5d0xY-6gu8A:
undetectable
5d0xZ-6gu8A:
undetectable