SIMILAR PATTERNS OF AMINO ACIDS FOR 4QVN_K_BO2K301_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.
1by2 MAC-2 BINDING
PROTEIN

(Homo sapiens) 		PF00530
(SRCR) 		5 ALA A  52
THR A  53
VAL A  19
GLY A 102
ASP A  36
 None
 1.17A 4qvnK-1by2A:
undetectable
4qvnL-1by2A:
undetectable		 4qvnK-1by2A:
21.43
4qvnL-1by2A:
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.
1fs5 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Escherichia
coli) 		PF01182
(Glucosamine_iso) 		5 THR A  44
ALA A 169
VAL A 203
GLY A 137
ASP A 141
 TLA  A1268 (-3.5A)
None
None
None
None
 1.03A 4qvnK-1fs5A:
undetectable
4qvnL-1fs5A:
undetectable		 4qvnK-1fs5A:
20.86
4qvnL-1fs5A:
22.71
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.
1hr7 MITOCHONDRIAL
PROCESSING PEPTIDASE
BETA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ALA B  38
THR B  39
ALA B 211
GLY B  25
ASP B 397
 None
 1.10A 4qvnK-1hr7B:
undetectable
4qvnL-1hr7B:
undetectable		 4qvnK-1hr7B:
19.86
4qvnL-1hr7B:
20.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		6 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
 CIB  H1001 (-1.9A)
CIB  H1001 (-3.8A)
CIB  H1001 (-4.5A)
CIB  H1001 (-3.5A)
CIB  H1001 (-4.0A)
CIB  H1001 (-4.4A)
 0.28A 4qvnK-1j2qH:
29.7
4qvnL-1j2qH:
24.9		 4qvnK-1j2qH:
30.37
4qvnL-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.
1j33 COBT

(Thermus
thermophilus) 		PF02277
(DBI_PRT) 		5 ALA A 170
THR A 169
ALA A 173
GLY A  57
ALA A 130
 None
 1.09A 4qvnK-1j33A:
undetectable
4qvnL-1j33A:
undetectable		 4qvnK-1j33A:
19.30
4qvnL-1j33A:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lpc DIANTHIN 30

(Dianthus
caryophyllus) 		PF00161
(RIP) 		5 ALA A 176
THR A 175
ALA A 179
VAL A  75
GLY A  66
 CMP  A 901 ( 4.0A)
None
None
None
None
 1.23A 4qvnK-1lpcA:
undetectable
4qvnL-1lpcA:
undetectable		 4qvnK-1lpcA:
23.62
4qvnL-1lpcA:
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.
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
 1.04A 4qvnK-1nb2A:
undetectable
4qvnL-1nb2A:
undetectable		 4qvnK-1nb2A:
22.48
4qvnL-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.
1pq5 TRYPSIN

(Fusarium
oxysporum) 		PF00089
(Trypsin) 		5 ALA A  54
THR A  53
ALA A  55
GLY A 208
ALA A 226
 None
 1.19A 4qvnK-1pq5A:
undetectable
4qvnL-1pq5A:
undetectable		 4qvnK-1pq5A:
22.62
4qvnL-1pq5A:
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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		7 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 None
 0.40A 4qvnK-1q5qH:
26.5
4qvnL-1q5qH:
22.7		 4qvnK-1q5qH:
27.92
4qvnL-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
 0.48A 4qvnK-1q5rH:
24.0
4qvnL-1q5rH:
22.5		 4qvnK-1q5rH:
27.59
4qvnL-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.
1r0d HUNTINGTIN
INTERACTING PROTEIN
12

(Homo sapiens) 		PF01608
(I_LWEQ) 		5 ALA A 793
THR A 790
ALA A 789
VAL A 887
GLY A 882
 None
 1.23A 4qvnK-1r0dA:
undetectable
4qvnL-1r0dA:
undetectable		 4qvnK-1r0dA:
21.88
4qvnL-1r0dA:
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.
1tve HOMOSERINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 ALA A 341
THR A 344
ALA A 342
GLY A  14
ASP A  22
 None
 1.20A 4qvnK-1tveA:
undetectable
4qvnL-1tveA:
undetectable		 4qvnK-1tveA:
19.83
4qvnL-1tveA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y4j SULFATASE MODIFYING
FACTOR 2

(Homo sapiens) 		PF03781
(FGE-sulfatase) 		5 THR A 238
ALA A 239
VAL A  69
GLY A 287
ALA A 152
 None
 1.05A 4qvnK-1y4jA:
undetectable
4qvnL-1y4jA:
undetectable		 4qvnK-1y4jA:
22.60
4qvnL-1y4jA:
20.21
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.
1zzh CYTOCHROME C
PEROXIDASE

(Rhodobacter
capsulatus) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 THR A 303
THR A 259
ALA A 260
GLY A 300
ASP A 270
 None
CA  A 401 (-4.8A)
None
None
None
 1.19A 4qvnK-1zzhA:
undetectable
4qvnL-1zzhA:
undetectable		 4qvnK-1zzhA:
22.73
4qvnL-1zzhA:
22.50
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.
2c6w PENICILLIN-BINDING
PROTEIN 1A

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 ALA B 489
THR B 495
ALA B 522
GLY B 339
ALA B 485
 None
 1.16A 4qvnK-2c6wB:
undetectable
4qvnL-2c6wB:
undetectable		 4qvnK-2c6wB:
19.90
4qvnL-2c6wB:
18.59
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.
2elc ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 THR A 297
ALA A 294
ALA A 187
GLY A 288
ALA A  97
 None
 1.20A 4qvnK-2elcA:
undetectable
4qvnL-2elcA:
undetectable		 4qvnK-2elcA:
20.12
4qvnL-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.
2f1m ACRIFLAVINE
RESISTANCE PROTEIN A

(Escherichia
coli) 		PF16576
(HlyD_D23) 		5 ALA A 159
THR A 158
ALA A 156
ALA A 163
ASP A 111
 None
 1.18A 4qvnK-2f1mA:
undetectable
4qvnL-2f1mA:
undetectable		 4qvnK-2f1mA:
22.81
4qvnL-2f1mA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f1n CYTOLETHAL
DISTENDING TOXIN
SUBUNIT B

(Escherichia
coli) 		PF03372
(Exo_endo_phos) 		5 THR A   9
ALA A 213
ALA A 215
GLY A 247
ALA A 228
 None
 1.11A 4qvnK-2f1nA:
undetectable
4qvnL-2f1nA:
undetectable		 4qvnK-2f1nA:
20.00
4qvnL-2f1nA:
22.50
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 5 THR H 301
THR H 321
LYS H 333
GLY H 347
ALA H 349
 None
 0.48A 4qvnK-2fhgH:
25.9
4qvnL-2fhgH:
22.6		 4qvnK-2fhgH:
28.11
4qvnL-2fhgH:
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.
2hxo PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		5 ALA A  73
THR A  72
ALA A  69
GLY A  96
ALA A 100
 None
 1.21A 4qvnK-2hxoA:
undetectable
4qvnL-2hxoA:
undetectable		 4qvnK-2hxoA:
18.26
4qvnL-2hxoA:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nn6 EXOSOME COMPONENT 6

(Homo sapiens) 		PF01138
(RNase_PH) 		5 ALA F 164
THR F 163
ALA F 165
ALA F  43
ASP F 171
 None
 1.23A 4qvnK-2nn6F:
undetectable
4qvnL-2nn6F:
undetectable		 4qvnK-2nn6F:
20.74
4qvnL-2nn6F:
21.28
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.
2p12 HYPOTHETICAL PROTEIN
DUF402

(Rhodococcus
jostii) 		PF04167
(DUF402) 		5 ALA A 137
THR A 136
ALA A 140
GLY A 130
ALA A 126
 None
 1.12A 4qvnK-2p12A:
undetectable
4qvnL-2p12A:
undetectable		 4qvnK-2p12A:
20.47
4qvnL-2p12A:
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.
2qos COMPLEMENT COMPONENT
8, GAMMA POLYPEPTIDE

(Homo sapiens) 		PF00061
(Lipocalin) 		5 THR C  86
ALA C  63
THR C  62
VAL C 105
GLY C  90
 None
 0.97A 4qvnK-2qosC:
undetectable
4qvnL-2qosC:
undetectable		 4qvnK-2qosC:
22.83
4qvnL-2qosC:
22.47
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.
2x30 PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
coelicolor) 		PF00977
(His_biosynth) 		5 ALA A 106
THR A 105
VAL A 101
GLY A  82
ASP A  86
 None
SO4  A1241 (-3.4A)
None
SO4  A1241 (-3.4A)
None
 1.20A 4qvnK-2x30A:
undetectable
4qvnL-2x30A:
undetectable		 4qvnK-2x30A:
22.22
4qvnL-2x30A:
22.40
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.
3eag UDP-N-ACETYLMURAMATE
:L-ALANYL-GAMMA-D-GL
UTAMYL-MESO-DIAMINOP
IMELATE LIGASE

(Neisseria
meningitidis) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		5 ALA A 311
THR A 310
ALA A 314
GLY A 305
ALA A 301
 None
 1.10A 4qvnK-3eagA:
undetectable
4qvnL-3eagA:
undetectable		 4qvnK-3eagA:
21.82
4qvnL-3eagA:
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.
3fdu PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Acinetobacter
baumannii) 		PF00378
(ECH_1) 		5 THR A 206
ALA A 202
ALA A 198
VAL A  56
GLY A  19
 None
 1.10A 4qvnK-3fduA:
undetectable
4qvnL-3fduA:
undetectable		 4qvnK-3fduA:
20.94
4qvnL-3fduA:
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.
3hfw PROTEIN
ADP-RIBOSYLARGININE
HYDROLASE

(Homo sapiens) 		PF03747
(ADP_ribosyl_GH) 		5 ALA A 274
THR A 306
ALA A 278
GLY A 130
ALA A 132
 None
None
None
ADP  A 358 (-3.5A)
None
 1.11A 4qvnK-3hfwA:
undetectable
4qvnL-3hfwA:
undetectable		 4qvnK-3hfwA:
21.74
4qvnL-3hfwA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 4qvnK-3hn7A:
undetectable
4qvnL-3hn7A:
undetectable		 4qvnK-3hn7A:
17.33
4qvnL-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.
3khs PURINE NUCLEOSIDE
PHOSPHORYLASE

(Singapore
grouper
iridovirus) 		PF01048
(PNP_UDP_1) 		5 THR A 145
ALA A  90
THR A  89
ALA A  93
GLY A 140
 None
 1.10A 4qvnK-3khsA:
undetectable
4qvnL-3khsA:
undetectable		 4qvnK-3khsA:
22.84
4qvnL-3khsA:
21.74
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.
3kxw SAFRAMYCIN MX1
SYNTHETASE B

(Legionella
pneumophila) 		PF00501
(AMP-binding) 		5 ALA A  53
THR A  54
ALA A  57
GLY A  82
ALA A  86
 None
 1.20A 4qvnK-3kxwA:
undetectable
4qvnL-3kxwA:
undetectable		 4qvnK-3kxwA:
14.48
4qvnL-3kxwA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3luz EXTRAGENIC
SUPPRESSOR PROTEIN
SUHB

(Bartonella
henselae) 		PF00459
(Inositol_P) 		5 THR A 202
ALA A 198
ALA A 225
GLY A 204
ALA A 246
 None
 1.18A 4qvnK-3luzA:
undetectable
4qvnL-3luzA:
undetectable		 4qvnK-3luzA:
19.86
4qvnL-3luzA:
21.72
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.
3lvv GLUTAMATE--CYSTEINE
LIGASE

(Saccharomyces
cerevisiae) 		PF03074
(GCS) 		5 ALA A 611
THR A 610
ALA A 298
VAL A 618
ASP A 524
 None
 1.23A 4qvnK-3lvvA:
undetectable
4qvnL-3lvvA:
undetectable		 4qvnK-3lvvA:
15.74
4qvnL-3lvvA:
15.40
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.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 6 THR N   1
THR N  21
ALA N  27
LYS N  33
GLY N  47
ALA N  49
 None
 0.59A 4qvnK-3mg6N:
29.2
4qvnL-3mg6N:
25.4		 4qvnK-3mg6N:
27.18
4qvnL-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.
3mw8 UROPORPHYRINOGEN-III
SYNTHASE

(Shewanella
amazonensis) 		PF02602
(HEM4) 		5 ALA A  95
ALA A  79
GLY A  92
ALA A  89
ASP A  86
 None
 1.17A 4qvnK-3mw8A:
undetectable
4qvnL-3mw8A:
undetectable		 4qvnK-3mw8A:
22.64
4qvnL-3mw8A:
24.25
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.
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
 0.96A 4qvnK-3nwaB:
undetectable
4qvnL-3nwaB:
undetectable		 4qvnK-3nwaB:
13.95
4qvnL-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.
3pxg NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N) 		5 ALA A 222
THR A 171
ALA A 174
VAL A 192
ALA A 218
 None
 1.17A 4qvnK-3pxgA:
undetectable
4qvnL-3pxgA:
undetectable		 4qvnK-3pxgA:
19.19
4qvnL-3pxgA:
17.70
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.
3pxi NEGATIVE REGULATOR
OF GENETIC
COMPETENCE CLPC/MECB

(Bacillus
subtilis) 		PF00004
(AAA)
PF02151
(UVR)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 ALA A 222
THR A 171
ALA A 174
VAL A 192
ALA A 218
 None
 1.17A 4qvnK-3pxiA:
undetectable
4qvnL-3pxiA:
undetectable		 4qvnK-3pxiA:
15.52
4qvnL-3pxiA:
16.02
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.
3rb9 DNA POLYMERASE III
SUBUNIT BETA

(Mycobacterium
tuberculosis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ALA A 180
THR A 181
ALA A 154
VAL A 206
ALA A 208
 None
 0.95A 4qvnK-3rb9A:
undetectable
4qvnL-3rb9A:
undetectable		 4qvnK-3rb9A:
19.60
4qvnL-3rb9A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rih SHORT CHAIN
DEHYDROGENASE OR
REDUCTASE

(Mycobacteroides
abscessus) 		PF13561
(adh_short_C2) 		5 ALA A  87
THR A  90
ALA A  88
GLY A  73
ALA A  49
 None
None
EDO  A 276 ( 4.0A)
None
None
 1.22A 4qvnK-3rihA:
undetectable
4qvnL-3rihA:
undetectable		 4qvnK-3rihA:
22.67
4qvnL-3rihA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3trr PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		5 ALA A 120
ALA A 100
VAL A 175
GLY A 178
ALA A 180
 None
 1.13A 4qvnK-3trrA:
undetectable
4qvnL-3trrA:
undetectable		 4qvnK-3trrA:
22.73
4qvnL-3trrA:
25.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tul CELL INVASION
PROTEIN SIPB

(Salmonella
enterica) 		PF16535
(T3SSipB) 		5 ALA A 205
THR A 206
ALA A 208
VAL A 156
ALA A 201
 None
 1.16A 4qvnK-3tulA:
undetectable
4qvnL-3tulA:
undetectable		 4qvnK-3tulA:
21.36
4qvnL-3tulA:
22.03
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.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		7 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 04C  H 301 (-2.5A)
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)
 0.57A 4qvnK-3unfH:
30.8
4qvnL-3unfH:
25.7		 4qvnK-3unfH:
26.16
4qvnL-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.
3w36 NAPH1

(Streptomyces
sp. CNQ525) 		no annotation 5 THR A 481
ALA A 433
THR A 434
ALA A 360
ASP A 511
 None
 1.03A 4qvnK-3w36A:
undetectable
4qvnL-3w36A:
undetectable		 4qvnK-3w36A:
17.87
4qvnL-3w36A:
16.89
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.
3w94 ENTEROPEPTIDASE-1

(Oryzias latipes) 		PF00089
(Trypsin) 		5 ALA A 834
THR A 833
ALA A 835
GLY A 995
ALA A1013
 None
 1.22A 4qvnK-3w94A:
undetectable
4qvnL-3w94A:
undetectable		 4qvnK-3w94A:
21.69
4qvnL-3w94A:
17.67
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) 		6 THR L   1
ALA L  20
ALA L  27
LYS L  33
GLY L  47
ALA L  49
 None
 0.67A 4qvnK-3wxrL:
38.0
4qvnL-3wxrL:
23.3		 4qvnK-3wxrL:
99.53
4qvnL-3wxrL:
22.18
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) 		6 THR L   1
ALA L  20
THR L  21
ALA L  27
LYS L  33
ALA L  49
 None
 0.58A 4qvnK-3wxrL:
38.0
4qvnL-3wxrL:
23.3		 4qvnK-3wxrL:
99.53
4qvnL-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.
3wxx AOPB

(Aeromonas
hydrophila) 		PF04888
(SseC) 		5 ALA B 247
THR B 250
ALA B 248
GLY B 184
ALA B 188
 None
 1.21A 4qvnK-3wxxB:
undetectable
4qvnL-3wxxB:
undetectable		 4qvnK-3wxxB:
21.76
4qvnL-3wxxB:
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.
4a73 L-LACTATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A 146
ALA A 138
THR A 139
ALA A  97
VAL A 271
 None
 1.19A 4qvnK-4a73A:
undetectable
4qvnL-4a73A:
undetectable		 4qvnK-4a73A:
19.87
4qvnL-4a73A:
21.81
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.
4arc LEUCINE--TRNA LIGASE

(Escherichia
coli) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		5 THR A 492
ALA A  81
THR A 127
ALA A 126
GLY A 429
 None
 1.13A 4qvnK-4arcA:
undetectable
4qvnL-4arcA:
undetectable		 4qvnK-4arcA:
13.30
4qvnL-4arcA:
14.52
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.
4emi TODA

(Pseudomonas
putida) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 ALA A 272
ALA A 277
VAL A  85
ALA A 246
ASP A 243
 None
 1.14A 4qvnK-4emiA:
undetectable
4qvnL-4emiA:
undetectable		 4qvnK-4emiA:
19.45
4qvnL-4emiA:
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.
4f47 ENOYL-COA HYDRATASE
ECHA19

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 ALA A 142
ALA A 122
VAL A 197
GLY A 200
ALA A 202
 None
 1.22A 4qvnK-4f47A:
undetectable
4qvnL-4f47A:
undetectable		 4qvnK-4f47A:
25.54
4qvnL-4f47A:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		5 THR A   1
ALA A  20
THR A  21
LYS A  33
GLY A  48
 None
 0.66A 4qvnK-4g4eA:
21.1
4qvnL-4g4eA:
17.7		 4qvnK-4g4eA:
28.05
4qvnL-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.
4ho7 HSLVU COMPLEX
PROTEOLYTIC SUBUNIT,
PUTATIVE

(Trypanosoma
brucei) 		PF00227
(Proteasome) 		5 THR A   1
THR A  21
ALA A  28
LYS A  34
GLY A  48
 None
 0.61A 4qvnK-4ho7A:
20.9
4qvnL-4ho7A:
17.0		 4qvnK-4ho7A:
23.26
4qvnL-4ho7A:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i97 DELTA CLASS 1
GLUTATHIONE
S-TRANSFERASE

(Scaptomyza
nigrita) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 THR A 191
ALA A 148
VAL A  19
ALA A 159
ASP A 101
 None
 1.19A 4qvnK-4i97A:
undetectable
4qvnL-4i97A:
undetectable		 4qvnK-4i97A:
23.48
4qvnL-4i97A:
18.61
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.
4jnh GAG POLYPROTEIN

(Simian foamy
virus) 		PF03276
(Gag_spuma) 		5 THR A  82
ALA A  77
ALA A 113
VAL A  35
GLY A  37
 None
 1.23A 4qvnK-4jnhA:
undetectable
4qvnL-4jnhA:
undetectable		 4qvnK-4jnhA:
19.28
4qvnL-4jnhA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kvf RHAMNOSE ABC
TRANSPORTER,
PERIPLASMIC
RHAMNOSE-BINDING
PROTEIN

(Kribbella
flavida) 		PF13407
(Peripla_BP_4) 		5 ALA A  51
ALA A  50
VAL A 339
GLY A 326
ALA A 324
 None
 1.10A 4qvnK-4kvfA:
undetectable
4qvnL-4kvfA:
undetectable		 4qvnK-4kvfA:
21.25
4qvnL-4kvfA:
23.92
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.
4oqj PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A 372
THR A 371
ALA A 216
VAL A 366
GLY A 254
 None
 1.17A 4qvnK-4oqjA:
undetectable
4qvnL-4oqjA:
undetectable		 4qvnK-4oqjA:
13.52
4qvnL-4oqjA:
14.99
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
 1.02A 4qvnK-4ou4A:
undetectable
4qvnL-4ou4A:
undetectable		 4qvnK-4ou4A:
21.52
4qvnL-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.
4qs9 HEXOKINASE-1

(Arabidopsis
thaliana) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 THR A 175
ALA A 226
ALA A 225
VAL A 232
GLY A 481
 None
 1.14A 4qvnK-4qs9A:
undetectable
4qvnL-4qs9A:
undetectable		 4qvnK-4qs9A:
17.65
4qvnL-4qs9A:
19.24
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 THR K   1
ALA K  20
THR K  21
ALA K  27
LYS K  33
GLY K  47
ALA K  49
 None
 0.52A 4qvnK-4qv9K:
38.7
4qvnL-4qv9K:
23.5		 4qvnK-4qv9K:
99.06
4qvnL-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.
4tsk KETOL-ACID
REDUCTOISOMERASE

(Alicyclobacillus
acidocaldarius) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 ALA A 168
ALA A 164
VAL A 146
GLY A 177
ALA A 148
 None
 1.09A 4qvnK-4tskA:
undetectable
4qvnL-4tskA:
undetectable		 4qvnK-4tskA:
18.52
4qvnL-4tskA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x9s PHOSPHORIBOSYL
ISOMERASE A

(Streptomyces
sp. Mg1) 		PF00977
(His_biosynth) 		5 ALA A 108
THR A 107
VAL A 103
GLY A  84
ASP A  88
 None
SO4  A 301 (-3.8A)
None
SO4  A 301 ( 3.8A)
None
 1.16A 4qvnK-4x9sA:
undetectable
4qvnL-4x9sA:
undetectable		 4qvnK-4x9sA:
22.83
4qvnL-4x9sA:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xeh KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 ALA A 169
ALA A 165
VAL A 147
GLY A 178
ALA A 149
 None
 0.95A 4qvnK-4xehA:
undetectable
4qvnL-4xehA:
undetectable		 4qvnK-4xehA:
21.47
4qvnL-4xehA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE

(Rhizomucor
miehei) 		PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3) 		5 ALA A 505
ALA A 508
VAL A 148
GLY A  84
ALA A 101
 None
 1.23A 4qvnK-4zm6A:
undetectable
4qvnL-4zm6A:
undetectable		 4qvnK-4zm6A:
13.68
4qvnL-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.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		5 ALA A 471
THR A 468
ALA A 470
GLY A 502
ASP A 316
 None
 1.21A 4qvnK-5cxwA:
undetectable
4qvnL-5cxwA:
undetectable		 4qvnK-5cxwA:
21.86
4qvnL-5cxwA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d8w ENDOGLUCANASE

(Ganoderma
lucidum) 		PF00150
(Cellulase) 		5 ALA A 184
THR A 183
ALA A 181
GLY A 189
ALA A 148
 None
 0.94A 4qvnK-5d8wA:
undetectable
4qvnL-5d8wA:
undetectable		 4qvnK-5d8wA:
20.82
4qvnL-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.
5e4r KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 ALA A 169
ALA A 165
VAL A 147
GLY A 178
ALA A 149
 None
 0.98A 4qvnK-5e4rA:
undetectable
4qvnL-5e4rA:
undetectable		 4qvnK-5e4rA:
19.06
4qvnL-5e4rA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
THR H  21
ALA H  27
LYS H  33
GLY H  47
ALA H  49
 None
 0.52A 4qvnK-5fg9H:
20.1
4qvnL-5fg9H:
23.4		 4qvnK-5fg9H:
29.22
4qvnL-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) 		7 THR I   1
ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
ASP J 138
 7F1  I 300 (-2.7A)
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 4qvnK-5fmgI:
28.0
4qvnL-5fmgI:
23.8		 4qvnK-5fmgI:
26.29
4qvnL-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) 		7 THR I   1
ALA I  20
THR I  21
ALA I  27
LYS I  33
GLY I  47
ALA I  49
 7F1  I 300 (-2.7A)
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)
 0.80A 4qvnK-5fmgI:
28.0
4qvnL-5fmgI:
23.8		 4qvnK-5fmgI:
26.29
4qvnL-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
 1.05A 4qvnK-5gmsA:
undetectable
4qvnL-5gmsA:
undetectable		 4qvnK-5gmsA:
21.74
4qvnL-5gmsA:
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.
5hj5 GLUCOSAMINE-6-PHOSPH
ATE DEAMINASE

(Vibrio cholerae) 		PF01182
(Glucosamine_iso) 		5 THR A  44
ALA A 169
VAL A 203
GLY A 137
ASP A 141
 F6R  A 301 (-3.5A)
None
None
F6R  A 301 (-3.2A)
None
 0.98A 4qvnK-5hj5A:
undetectable
4qvnL-5hj5A:
undetectable		 4qvnK-5hj5A:
22.78
4qvnL-5hj5A:
23.38
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.
5i51 TRANSKETOLASE

(Scheffersomyces
stipitis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 657
THR A 660
ALA A 658
VAL A 582
ALA A 580
 None
 1.08A 4qvnK-5i51A:
undetectable
4qvnL-5i51A:
undetectable		 4qvnK-5i51A:
14.57
4qvnL-5i51A:
16.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j72 PUTATIVE
N-ACETYLMURAMOYL-L-A
LANINE
AMIDASE,AUTOLYSIN
CWP6

(Clostridioides
difficile) 		PF01520
(Amidase_3)
PF04122
(CW_binding_2) 		5 THR A 152
ALA A 389
ALA A 393
GLY A 428
ALA A 378
 None
 1.07A 4qvnK-5j72A:
undetectable
4qvnL-5j72A:
undetectable		 4qvnK-5j72A:
16.01
4qvnL-5j72A:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j7c FNFN10-ANTI-LYSOZYME
(DE0.4.1)

(Homo sapiens) 		PF00041
(fn3) 		5 ALA C  29
THR C  30
VAL C  73
GLY C  33
ASP C  53
 None
 0.99A 4qvnK-5j7cC:
undetectable
4qvnL-5j7cC:
undetectable		 4qvnK-5j7cC:
20.62
4qvnL-5j7cC:
16.36
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 THR K   1
ALA K  20
THR K  21
ALA K  27
LYS K  33
GLY K  47
ALA K  49
 None
 0.73A 4qvnK-5l5wK:
37.6
4qvnL-5l5wK:
23.7		 4qvnK-5l5wK:
82.08
4qvnL-5l5wK:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
ALA K  20
ALA K  28
GLY K  47
ALA K  49
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.0A)
7DX  K 301 ( 4.6A)
7DX  K 301 (-3.8A)
7DX  K 301 (-3.2A)
 1.18A 4qvnK-5m2bK:
38.0
4qvnL-5m2bK:
24.1		 4qvnK-5m2bK:
76.42
4qvnL-5m2bK:
23.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5m2b PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 THR K   1
ALA K  20
LYS K  33
GLY K  47
ALA K  49
 7DX  K 301 (-3.3A)
7DX  K 301 ( 4.0A)
7DX  K 301 (-4.2A)
7DX  K 301 (-3.8A)
7DX  K 301 (-3.2A)
 0.48A 4qvnK-5m2bK:
38.0
4qvnL-5m2bK:
24.1		 4qvnK-5m2bK:
76.42
4qvnL-5m2bK:
23.50
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.
5ncc FATTY ACID
PHOTODECARBOXYLASE

(Chlorella
variabilis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 ALA A 538
ALA A 534
VAL A 391
GLY A 549
ALA A 389
 None
 1.22A 4qvnK-5nccA:
undetectable
4qvnL-5nccA:
undetectable		 4qvnK-5nccA:
17.41
4qvnL-5nccA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		5 ALA A 319
THR A 214
VAL A 247
GLY A 268
ALA A 249
 None
 1.09A 4qvnK-5o0sA:
undetectable
4qvnL-5o0sA:
undetectable		 4qvnK-5o0sA:
15.05
4qvnL-5o0sA:
14.61
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 THR R   1
ALA R  20
ALA R  27
LYS R  33
GLY R  47
 None
 0.88A 4qvnK-5t0gR:
32.2
4qvnL-5t0gR:
24.0		 4qvnK-5t0gR:
64.90
4qvnL-5t0gR:
22.06
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 THR R   1
ALA R  20
LYS R  33
GLY R  47
ALA R  49
 None
 0.88A 4qvnK-5t0gR:
32.2
4qvnL-5t0gR:
24.0		 4qvnK-5t0gR:
64.90
4qvnL-5t0gR:
22.06
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 THR R   1
ALA R  20
THR R  21
ALA R  27
LYS R  33
 None
 0.79A 4qvnK-5t0gR:
32.2
4qvnL-5t0gR:
24.0		 4qvnK-5t0gR:
64.90
4qvnL-5t0gR:
22.06
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 THR R   1
ALA R  20
THR R  21
LYS R  33
ALA R  49
 None
 0.96A 4qvnK-5t0gR:
32.2
4qvnL-5t0gR:
24.0		 4qvnK-5t0gR:
64.90
4qvnL-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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 5 ALA R  20
THR R  21
ALA R  27
LYS R  33
GLY R  48
 None
 0.80A 4qvnK-5vfrR:
32.9
4qvnL-5vfrR:
23.7		 4qvnK-5vfrR:
undetectable
4qvnL-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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 7 THR R   1
ALA R  20
THR R  21
ALA R  27
LYS R  33
GLY R  47
ALA R  49
 None
 0.66A 4qvnK-5vfrR:
32.9
4qvnL-5vfrR:
23.7		 4qvnK-5vfrR:
undetectable
4qvnL-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.
5vn3 ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		PF00517
(GP41) 		5 THR A 627
ALA A 533
ALA A 536
GLY A 527
ALA A 525
 None
 1.11A 4qvnK-5vn3A:
undetectable
4qvnL-5vn3A:
undetectable		 4qvnK-5vn3A:
20.10
4qvnL-5vn3A:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y28 -

(-) 		no annotation 5 THR A 138
ALA A 137
VAL A 262
GLY A 141
ALA A 149
 None
 1.22A 4qvnK-5y28A:
undetectable
4qvnL-5y28A:
undetectable		 4qvnK-5y28A:
undetectable
4qvnL-5y28A:
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.
5ydl PKS

(Streptomyces
sp. CNQ431) 		no annotation 5 ALA A 230
THR A 325
ALA A 231
VAL A 274
ALA A 270
 None
None
None
None
DUV  A 501 ( 4.1A)
 1.01A 4qvnK-5ydlA:
undetectable
4qvnL-5ydlA:
undetectable		 4qvnK-5ydlA:
18.89
4qvnL-5ydlA:
14.41
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.
5yeq KETOL-ACID
REDUCTOISOMERASE
(NADP(+))

(Sulfolobus
acidocaldarius) 		no annotation 5 ALA A 169
ALA A 165
VAL A 147
GLY A 178
ALA A 149
 None
 1.02A 4qvnK-5yeqA:
undetectable
4qvnL-5yeqA:
undetectable		 4qvnK-5yeqA:
17.92
4qvnL-5yeqA:
17.35
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.
5yht HISTIDINOL-PHOSPHATA
SE

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A 244
THR A 245
ALA A 204
GLY A 225
ALA A 197
 None
 1.12A 4qvnK-5yhtA:
undetectable
4qvnL-5yhtA:
undetectable		 4qvnK-5yhtA:
17.22
4qvnL-5yhtA:
13.64
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.
5yy0 CYTOSOLIC
NIFE-HYDROGENASE,
ALPHA SUBUNIT

(Thermococcus
kodakarensis) 		no annotation 5 ALA A  76
THR A  75
VAL A 364
GLY A 347
ALA A  80
 None
 1.07A 4qvnK-5yy0A:
undetectable
4qvnL-5yy0A:
undetectable		 4qvnK-5yy0A:
14.56
4qvnL-5yy0A:
18.43
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.
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
 0.60A 4qvnK-6avoB:
21.3
4qvnL-6avoB:
21.3		 4qvnK-6avoB:
20.44
4qvnL-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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 6 THR B   1
ALA B  20
THR B  21
ALA B  27
LYS B  33
GLY B  47
 None
 0.65A 4qvnK-6avoB:
21.3
4qvnL-6avoB:
21.3		 4qvnK-6avoB:
20.44
4qvnL-6avoB:
18.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-8

(Homo sapiens) 		no annotation 5 THR C   1
ALA C  20
ALA C  28
GLY C  47
ALA C  49
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 (-3.4A)
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
 1.12A 4qvnK-6avoC:
34.5
4qvnL-6avoC:
24.8		 4qvnK-6avoC:
65.00
4qvnL-6avoC:
17.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-8

(Homo sapiens) 		no annotation 5 THR C   1
ALA C  20
LYS C  33
GLY C  47
ALA C  49
 BZ7  C 301 (-4.0A)
BZ7  C 301 (-3.5A)
BZ7  C 301 ( 4.8A)
BZ7  C 301 (-4.5A)
BZ7  C 301 (-2.8A)
 0.50A 4qvnK-6avoC:
34.5
4qvnL-6avoC:
24.8		 4qvnK-6avoC:
65.00
4qvnL-6avoC:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.96A 4qvnK-6bm8A:
undetectable
4qvnL-6bm8A:
undetectable		 4qvnK-6bm8A:
16.67
4qvnL-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.
6d47 BETA SLIDING CLAMP

(Mycobacterium
marinum) 		no annotation 5 ALA A 180
THR A 181
ALA A 187
VAL A 206
ALA A 208
 None
 1.20A 4qvnK-6d47A:
undetectable
4qvnL-6d47A:
undetectable		 4qvnK-6d47A:
18.14
4qvnL-6d47A:
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.
6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY

(Brevundimonas
sp. BAL3) 		no annotation 5 THR A 266
THR A  81
ALA A  80
GLY A  85
ALA A 162
 None
 1.23A 4qvnK-6frlA:
undetectable
4qvnL-6frlA:
undetectable		 4qvnK-6frlA:
17.24
4qvnL-6frlA:
19.05
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.
6gbh HOPQ

(Helicobacter
pylori) 		no annotation 5 ALA C  59
THR C  58
ALA C  57
GLY C  65
ALA C  63
 None
 1.23A 4qvnK-6gbhC:
undetectable
4qvnL-6gbhC:
undetectable		 4qvnK-6gbhC:
15.61
4qvnL-6gbhC:
16.04