SIMILAR PATTERNS OF AMINO ACIDS FOR 4QVQ_Y_BO2Y301_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.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 190
ALA A 235
ILE A 108
GLY A 110
ASP A 233
 None
None
CER  A 413 (-3.3A)
None
None
 1.12A 4qvqY-1b3nA:
undetectable
4qvqZ-1b3nA:
undetectable		 4qvqY-1b3nA:
19.62
4qvqZ-1b3nA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.11A 4qvqY-1hr7B:
undetectable
4qvqZ-1hr7B:
undetectable		 4qvqY-1hr7B:
19.59
4qvqZ-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)
 0.31A 4qvqY-1j2qH:
16.7
4qvqZ-1j2qH:
24.7		 4qvqY-1j2qH:
30.37
4qvqZ-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 4qvqY-1j33A:
undetectable
4qvqZ-1j33A:
undetectable		 4qvqY-1j33A:
19.30
4qvqZ-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.
1jpu GLYCEROL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00465
(Fe-ADH) 		5 ALA A 253
THR A 338
ALA A 254
ILE A 185
GLY A 189
 None
 1.14A 4qvqY-1jpuA:
undetectable
4qvqZ-1jpuA:
undetectable		 4qvqY-1jpuA:
20.60
4qvqZ-1jpuA:
23.24
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.
1mqv CYTOCHROME C'

(Rhodopseudomonas
palustris) 		PF01322
(Cytochrom_C_2) 		5 ALA A  89
THR A  90
ALA A  86
ILE A  22
ASP A  47
 None
 1.19A 4qvqY-1mqvA:
undetectable
4qvqZ-1mqvA:
undetectable		 4qvqY-1mqvA:
20.75
4qvqZ-1mqvA:
20.35
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.
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 4qvqY-1nb2A:
undetectable
4qvqZ-1nb2A:
undetectable		 4qvqY-1nb2A:
22.48
4qvqZ-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.
1ne7 GLUCOSAMINE-6-PHOSPH
ATE ISOMERASE

(Homo sapiens) 		PF01182
(Glucosamine_iso) 		5 THR A  44
ALA A 169
ILE A 203
GLY A 137
ASP A 141
 SO4  A2296 ( 3.7A)
None
None
AGP  A2298 (-3.8A)
None
 0.95A 4qvqY-1ne7A:
undetectable
4qvqZ-1ne7A:
undetectable		 4qvqY-1ne7A:
19.05
4qvqZ-1ne7A:
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.
1pq5 TRYPSIN

(Fusarium
oxysporum) 		PF00089
(Trypsin) 		5 ALA A  54
THR A  53
ALA A  55
GLY A 208
ALA A 226
 None
 1.18A 4qvqY-1pq5A:
undetectable
4qvqZ-1pq5A:
undetectable		 4qvqY-1pq5A:
22.40
4qvqZ-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) 		8 THR H   1
ALA H  20
THR H  21
ALA H  27
LYS H  33
ILE H  45
GLY H  47
ALA H  49
 None
 0.74A 4qvqY-1q5qH:
14.9
4qvqZ-1q5qH:
22.4		 4qvqY-1q5qH:
28.33
4qvqZ-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 4qvqY-1q5rH:
13.5
4qvqZ-1q5rH:
22.1		 4qvqY-1q5rH:
28.02
4qvqZ-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.
1rzw PROTEIN AF2095(GR4)

(Archaeoglobus
fulgidus) 		PF01981
(PTH2) 		5 ALA A  93
ILE A  29
GLY A  31
ALA A  27
ASP A  80
 None
 1.15A 4qvqY-1rzwA:
undetectable
4qvqZ-1rzwA:
undetectable		 4qvqY-1rzwA:
22.56
4qvqZ-1rzwA:
18.92
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 ALA A 188
THR A 189
ALA A 190
ILE A 145
GLY A 139
 None
 1.12A 4qvqY-1sqjA:
undetectable
4qvqZ-1sqjA:
undetectable		 4qvqY-1sqjA:
13.48
4qvqZ-1sqjA:
14.45
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.
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 4qvqY-1tveA:
undetectable
4qvqZ-1tveA:
undetectable		 4qvqY-1tveA:
19.83
4qvqZ-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.
1ulq PUTATIVE ACETYL-COA
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 394
THR A 302
ALA A 305
ILE A 387
GLY A 297
 None
 1.10A 4qvqY-1ulqA:
undetectable
4qvqZ-1ulqA:
undetectable		 4qvqY-1ulqA:
18.91
4qvqZ-1ulqA:
20.15
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.
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
 1.20A 4qvqY-1zzhA:
undetectable
4qvqZ-1zzhA:
undetectable		 4qvqY-1zzhA:
22.55
4qvqZ-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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 ALA A 268
THR A 267
ILE A 255
GLY A 295
ALA A 256
 None
 1.19A 4qvqY-2b39A:
undetectable
4qvqZ-2b39A:
undetectable		 4qvqY-2b39A:
8.98
4qvqZ-2b39A:
9.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c49 SUGAR KINASE MJ0406

(Methanocaldococcus
jannaschii) 		PF00294
(PfkB) 		5 THR A  14
ILE A 136
GLY A 139
ALA A 137
ASP A 247
 None
None
None
None
ADN  A1301 (-2.9A)
 1.13A 4qvqY-2c49A:
undetectable
4qvqZ-2c49A:
undetectable		 4qvqY-2c49A:
21.02
4qvqZ-2c49A:
24.76
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.
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 4qvqY-2c6wB:
undetectable
4qvqZ-2c6wB:
undetectable		 4qvqY-2c6wB:
18.86
4qvqZ-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.
2czd OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Pyrococcus
horikoshii) 		PF00215
(OMPdecase) 		5 ALA A 174
ALA A 177
ILE A 183
GLY A 163
ALA A 161
 None
None
DTT  A 501 ( 4.6A)
None
None
 1.18A 4qvqY-2czdA:
undetectable
4qvqZ-2czdA:
undetectable		 4qvqY-2czdA:
20.43
4qvqZ-2czdA:
21.95
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.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT

(Klebsiella
oxytoca) 		PF08841
(DDR) 		5 ALA A 198
THR A 113
ALA A 197
ILE A 208
GLY A 110
 None
 1.13A 4qvqY-2d0oA:
undetectable
4qvqZ-2d0oA:
undetectable		 4qvqY-2d0oA:
16.70
4qvqZ-2d0oA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d3t 3-KETOACYL-COA
THIOLASE

(Pseudomonas
fragi) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA C 385
THR C 292
ALA C 295
ILE C 378
GLY C 287
 None
 1.08A 4qvqY-2d3tC:
undetectable
4qvqZ-2d3tC:
undetectable		 4qvqY-2d3tC:
19.31
4qvqZ-2d3tC:
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.
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 4qvqY-2f1nA:
undetectable
4qvqZ-2f1nA:
undetectable		 4qvqY-2f1nA:
20.99
4qvqZ-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 6 THR H 301
THR H 321
LYS H 333
ILE H 345
GLY H 347
ALA H 349
 None
 0.98A 4qvqY-2fhgH:
15.0
4qvqZ-2fhgH:
22.1		 4qvqY-2fhgH:
28.51
4qvqZ-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.
2grv LPQW

(Mycolicibacterium
smegmatis) 		PF00496
(SBP_bac_5) 		5 ALA A 409
THR A 408
ALA A 406
ILE A 418
ALA A 420
 None
 1.13A 4qvqY-2grvA:
undetectable
4qvqZ-2grvA:
undetectable		 4qvqY-2grvA:
13.89
4qvqZ-2grvA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jty TYPE-1 FIMBRIAL
PROTEIN, A CHAIN

(Escherichia
coli) 		PF00419
(Fimbrial) 		5 ALA A  72
THR A 117
ALA A 116
ILE A 131
ALA A  70
 None
 1.05A 4qvqY-2jtyA:
undetectable
4qvqZ-2jtyA:
undetectable		 4qvqY-2jtyA:
24.59
4qvqZ-2jtyA:
23.24
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.
2oq5 TRANSMEMBRANE
PROTEASE, SERINE 11E

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA A  44
THR A  45
ALA A  31
ILE A  88
ALA A 106
 None
 1.16A 4qvqY-2oq5A:
undetectable
4qvqZ-2oq5A:
undetectable		 4qvqY-2oq5A:
22.31
4qvqZ-2oq5A:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 4qvqY-2p12A:
undetectable
4qvqZ-2p12A:
undetectable		 4qvqY-2p12A:
20.47
4qvqZ-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.
2vfk AKAP18 DELTA

(Homo sapiens) 		PF10469
(AKAP7_NLS) 		5 ALA A 204
THR A 203
ALA A 201
ILE A 213
ALA A 215
 None
 1.18A 4qvqY-2vfkA:
undetectable
4qvqZ-2vfkA:
undetectable		 4qvqY-2vfkA:
20.55
4qvqZ-2vfkA:
22.13
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.
2vpq ACETYL-COA
CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ALA A  29
THR A  41
ALA A  47
ILE A  16
ASP A  45
 None
 1.20A 4qvqY-2vpqA:
undetectable
4qvqZ-2vpqA:
undetectable		 4qvqY-2vpqA:
16.63
4qvqZ-2vpqA:
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		5 THR A 128
ALA A 118
ILE A 133
GLY A 131
ASP A  56
 None
None
None
None
ZN  A1476 (-2.2A)
 1.12A 4qvqY-2x98A:
undetectable
4qvqZ-2x98A:
undetectable		 4qvqY-2x98A:
23.35
4qvqZ-2x98A:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zd2 ATP12 ATPASE

(Paracoccus
denitrificans) 		PF07542
(ATP12) 		5 ALA A1195
THR A1194
ILE A1186
GLY A1188
ALA A1184
 None
 1.01A 4qvqY-2zd2A:
undetectable
4qvqZ-2zd2A:
undetectable		 4qvqY-2zd2A:
22.92
4qvqZ-2zd2A:
22.96
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.
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 4qvqY-3eagA:
undetectable
4qvqZ-3eagA:
undetectable		 4qvqY-3eagA:
21.43
4qvqZ-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.
3eeg 2-ISOPROPYLMALATE
SYNTHASE

(Cytophaga
hutchinsonii) 		PF00682
(HMGL-like) 		5 ALA A  72
ALA A  45
ILE A  83
GLY A  85
ALA A  87
 None
 1.02A 4qvqY-3eegA:
undetectable
4qvqZ-3eegA:
undetectable		 4qvqY-3eegA:
22.09
4qvqZ-3eegA:
22.68
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.
3fmq METHIONINE
AMINOPEPTIDASE 2

(Encephalitozoon
cuniculi) 		PF00557
(Peptidase_M24) 		5 THR A 247
ALA A 107
ALA A 108
ILE A 330
GLY A 251
 None
None
FUG  A 481 ( 4.4A)
None
None
 1.00A 4qvqY-3fmqA:
undetectable
4qvqZ-3fmqA:
undetectable		 4qvqY-3fmqA:
23.12
4qvqZ-3fmqA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4p PROTEASOME SUBUNIT
BETA

(Methanocaldococcus
jannaschii) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ALA a 135
THR a 134
ILE a 142
GLY a 145
ALA a 167
 None
 1.10A 4qvqY-3h4pa:
16.3
4qvqZ-3h4pa:
24.4		 4qvqY-3h4pa:
29.82
4qvqZ-3h4pa:
25.73
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.
3h4p PROTEASOME SUBUNIT
BETA

(Methanocaldococcus
jannaschii) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 THR a   7
ALA a  26
ALA a  33
ILE a  51
GLY a  53
 None
 0.99A 4qvqY-3h4pa:
16.3
4qvqZ-3h4pa:
24.4		 4qvqY-3h4pa:
29.82
4qvqZ-3h4pa:
25.73
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.
3h4p PROTEASOME SUBUNIT
BETA

(Methanocaldococcus
jannaschii) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 THR a   7
ALA a  26
ALA a  33
LYS a  39
ILE a  51
 None
 1.05A 4qvqY-3h4pa:
16.3
4qvqZ-3h4pa:
24.4		 4qvqY-3h4pa:
29.82
4qvqZ-3h4pa:
25.73
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.
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 4qvqY-3hn7A:
undetectable
4qvqZ-3hn7A:
undetectable		 4qvqY-3hn7A:
17.56
4qvqZ-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.
3j4r A-KINASE ANCHOR
PROTEIN 18

(Homo sapiens) 		PF10469
(AKAP7_NLS)
PF10470
(AKAP7_RIRII_bdg) 		5 ALA A 204
THR A 203
ALA A 201
ILE A 213
ALA A 215
 None
 1.17A 4qvqY-3j4rA:
undetectable
4qvqZ-3j4rA:
undetectable		 4qvqY-3j4rA:
20.33
4qvqZ-3j4rA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jtl PROTEASOME SUBUNIT
BETA

(Thermoplasma
acidophilum) 		PF00227
(Proteasome) 		5 THR H   1
THR H  21
LYS H  33
ILE H  45
GLY H  47
 None
 0.35A 4qvqY-3jtlH:
16.6
4qvqZ-3jtlH:
25.4		 4qvqY-3jtlH:
27.70
4qvqZ-3jtlH:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k8v FLAGELLIN HOMOLOG

(Sphingomonas
sp. A1) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C)
PF07196
(Flagellin_IN) 		5 ALA A  78
THR A  77
ALA A  75
ILE A 307
GLY A  83
 None
 1.19A 4qvqY-3k8vA:
undetectable
4qvqZ-3k8vA:
undetectable		 4qvqY-3k8vA:
22.77
4qvqZ-3k8vA:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 ALA A4307
ALA A4255
ILE A3954
GLY A3956
ALA A4315
 None
 1.15A 4qvqY-3kciA:
undetectable
4qvqZ-3kciA:
undetectable		 4qvqY-3kciA:
22.49
4qvqZ-3kciA:
19.70
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.
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
 1.08A 4qvqY-3khsA:
undetectable
4qvqZ-3khsA:
undetectable		 4qvqY-3khsA:
22.49
4qvqZ-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.
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 4qvqY-3luzA:
undetectable
4qvqZ-3luzA:
undetectable		 4qvqY-3luzA:
20.59
4qvqZ-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.
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
 0.57A 4qvqY-3mg6N:
16.7
4qvqZ-3mg6N:
25.1		 4qvqY-3mg6N:
27.18
4qvqZ-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
 1.19A 4qvqY-3mw8A:
undetectable
4qvqZ-3mw8A:
undetectable		 4qvqY-3mw8A:
21.12
4qvqZ-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.
3ncy ADIC

(Salmonella
enterica) 		PF13520
(AA_permease_2) 		5 ALA A 210
ALA A 213
ILE A 229
GLY A 231
ALA A 227
 None
 1.05A 4qvqY-3ncyA:
undetectable
4qvqZ-3ncyA:
undetectable		 4qvqY-3ncyA:
20.14
4qvqZ-3ncyA:
19.82
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.
3nmr CUGBP ELAV-LIKE
FAMILY MEMBER 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 ALA A 164
THR A 163
ALA A 167
ILE A 134
GLY A 132
 None
 1.13A 4qvqY-3nmrA:
undetectable
4qvqZ-3nmrA:
undetectable		 4qvqY-3nmrA:
20.74
4qvqZ-3nmrA:
17.18
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.
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 4qvqY-3nwaB:
undetectable
4qvqZ-3nwaB:
undetectable		 4qvqY-3nwaB:
13.95
4qvqZ-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.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 ALA A 592
ALA A 589
ILE A 595
GLY A 418
ALA A 594
 None
 1.17A 4qvqY-3q9oA:
undetectable
4qvqZ-3q9oA:
undetectable		 4qvqY-3q9oA:
14.59
4qvqZ-3q9oA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rd8 FUMARATE HYDRATASE
CLASS II

(Mycolicibacterium
smegmatis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 THR A 110
THR A 140
ILE A  49
GLY A  53
ALA A  51
 None
 0.95A 4qvqY-3rd8A:
undetectable
4qvqZ-3rd8A:
undetectable		 4qvqY-3rd8A:
20.23
4qvqZ-3rd8A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s29 SUCROSE SYNTHASE 1

(Arabidopsis
thaliana) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 THR A 475
ALA A 471
ALA A 467
ILE A 411
ASP A 417
 None
 1.18A 4qvqY-3s29A:
undetectable
4qvqZ-3s29A:
undetectable		 4qvqY-3s29A:
14.49
4qvqZ-3s29A:
14.13
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.
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)
 0.54A 4qvqY-3unfH:
17.5
4qvqZ-3unfH:
25.5		 4qvqY-3unfH:
26.16
4qvqZ-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 4qvqY-3w36A:
undetectable
4qvqZ-3w36A:
undetectable		 4qvqY-3w36A:
17.87
4qvqZ-3w36A:
16.89
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 THR L   1
ALA L  20
THR L  21
ALA L  27
LYS L  33
GLY L  47
ALA L  49
 None
 0.70A 4qvqY-3wxrL:
37.6
4qvqZ-3wxrL:
23.0		 4qvqY-3wxrL:
99.53
4qvqZ-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.
3zbj TRAO PROTEIN

(Escherichia
coli) 		PF03524
(CagX) 		5 ALA A  28
ALA A  30
ILE A  93
GLY A 103
ALA A 101
 None
 1.18A 4qvqY-3zbjA:
undetectable
4qvqZ-3zbjA:
undetectable		 4qvqY-3zbjA:
18.18
4qvqZ-3zbjA:
23.47
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.
4a9w MONOOXYGENASE

(Stenotrophomonas
maltophilia) 		PF13738
(Pyr_redox_3) 		5 ALA A  18
ALA A 340
ILE A   9
GLY A  11
ALA A 127
 None
None
None
FAD  A1353 ( 4.7A)
None
 0.99A 4qvqY-4a9wA:
undetectable
4qvqZ-4a9wA:
undetectable		 4qvqY-4a9wA:
20.92
4qvqZ-4a9wA:
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.
4apb FUMARATE HYDRATASE
CLASS II

(Mycobacterium
tuberculosis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 THR A 112
THR A 142
ILE A  51
GLY A  55
ALA A  53
 None
 1.00A 4qvqY-4apbA:
undetectable
4qvqZ-4apbA:
undetectable		 4qvqY-4apbA:
18.38
4qvqZ-4apbA:
19.29
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.
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
 1.16A 4qvqY-4arcA:
undetectable
4qvqZ-4arcA:
undetectable		 4qvqY-4arcA:
12.50
4qvqZ-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.
4c4o CARBONYL REDUCTASE
CPCR2

(Candida
parapsilosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 153
ALA A 149
ILE A  67
GLY A  42
ALA A  40
 None
 1.10A 4qvqY-4c4oA:
undetectable
4qvqZ-4c4oA:
undetectable		 4qvqY-4c4oA:
22.32
4qvqZ-4c4oA:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4evz HISF-LUCA

(synthetic
construct) 		PF00977
(His_biosynth) 		5 ALA A 222
ALA A 221
ILE A 227
GLY A 203
ALA A 224
 None
None
None
PI  A 301 (-3.7A)
PI  A 301 (-3.8A)
 1.14A 4qvqY-4evzA:
undetectable
4qvqZ-4evzA:
undetectable		 4qvqY-4evzA:
22.06
4qvqZ-4evzA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.67A 4qvqY-4g4eA:
10.8
4qvqZ-4g4eA:
18.8		 4qvqY-4g4eA:
28.05
4qvqZ-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.
4g4e ATP-DEPENDENT
PROTEASE SUBUNIT
HSLV

(Escherichia
coli) 		PF00227
(Proteasome) 		5 THR A 162
ALA A  15
ILE A 158
GLY A 125
ALA A 129
 None
 1.20A 4qvqY-4g4eA:
10.8
4qvqZ-4g4eA:
18.8		 4qvqY-4g4eA:
28.05
4qvqZ-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
 0.64A 4qvqY-4ho7A:
10.2
4qvqZ-4ho7A:
16.8		 4qvqY-4ho7A:
23.26
4qvqZ-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.
4mjt MONALYSIN

(Pseudomonas
entomophila) 		no annotation 5 ALA A 186
THR A 187
ALA A 189
ILE A 136
GLY A  74
 None
 0.89A 4qvqY-4mjtA:
undetectable
4qvqZ-4mjtA:
undetectable		 4qvqY-4mjtA:
22.45
4qvqZ-4mjtA:
20.08
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.
4oo2 CHLOROPHENOL-4-MONOO
XYGENASE

(Streptomyces
globisporus) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		5 ALA A 201
THR A 202
ALA A 269
ILE A 212
ALA A 210
 None
 1.13A 4qvqY-4oo2A:
undetectable
4qvqZ-4oo2A:
undetectable		 4qvqY-4oo2A:
18.49
4qvqZ-4oo2A:
19.09
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.
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
 1.03A 4qvqY-4ou4A:
undetectable
4qvqZ-4ou4A:
undetectable		 4qvqY-4ou4A:
22.26
4qvqZ-4ou4A:
21.21
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
 0.50A 4qvqY-4qv9K:
38.3
4qvqZ-4qv9K:
23.2		 4qvqY-4qv9K:
99.06
4qvqZ-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.
4wyr ACETYL-COA
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 386
THR A 296
ALA A 299
ILE A 379
GLY A 291
 None
 1.18A 4qvqY-4wyrA:
undetectable
4qvqZ-4wyrA:
undetectable		 4qvqY-4wyrA:
19.74
4qvqZ-4wyrA:
21.84
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.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 398
THR A 305
ALA A 308
ILE A 391
GLY A 300
 None
 1.15A 4qvqY-5bz4A:
undetectable
4qvqZ-5bz4A:
undetectable		 4qvqY-5bz4A:
20.33
4qvqZ-5bz4A:
19.46
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.
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 4qvqY-5d8wA:
undetectable
4qvqZ-5d8wA:
undetectable		 4qvqY-5d8wA:
20.82
4qvqZ-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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 ALA A1336
ALA A 467
ILE A1342
GLY A1339
ALA A1307
 None
 1.06A 4qvqY-5dotA:
undetectable
4qvqZ-5dotA:
undetectable		 4qvqY-5dotA:
9.73
4qvqZ-5dotA:
10.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f38 ACETYL-COA
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA B 387
THR B 297
ALA B 300
ILE B 380
GLY B 292
 None
None
None
MLY  B  86 ( 3.7A)
None
 1.12A 4qvqY-5f38B:
undetectable
4qvqZ-5f38B:
undetectable		 4qvqY-5f38B:
20.89
4qvqZ-5f38B:
19.70
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.
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
 0.50A 4qvqY-5fg9H:
21.1
4qvqZ-5fg9H:
23.3		 4qvqY-5fg9H:
29.22
4qvqZ-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)
 1.09A 4qvqY-5fmgI:
16.7
4qvqZ-5fmgI:
23.4		 4qvqY-5fmgI:
26.29
4qvqZ-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)
 0.79A 4qvqY-5fmgI:
16.7
4qvqZ-5fmgI:
23.4		 4qvqY-5fmgI:
26.29
4qvqZ-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
 1.03A 4qvqY-5gmsA:
undetectable
4qvqZ-5gmsA:
undetectable		 4qvqY-5gmsA:
22.19
4qvqZ-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.
5j6q CELL WALL BINDING
PROTEIN CWP8

(Clostridioides
difficile) 		PF04122
(CW_binding_2) 		5 THR A 302
ALA A 541
ALA A 545
GLY A 581
ALA A 524
 None
 1.12A 4qvqY-5j6qA:
undetectable
4qvqZ-5j6qA:
undetectable		 4qvqY-5j6qA:
17.59
4qvqZ-5j6qA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 4qvqY-5j72A:
undetectable
4qvqZ-5j72A:
undetectable		 4qvqY-5j72A:
16.01
4qvqZ-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.
5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE

(Arabidopsis
thaliana) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		5 THR A 333
ALA A 606
ILE A 603
GLY A 587
ALA A 604
 None
 1.18A 4qvqY-5ksdA:
undetectable
4qvqZ-5ksdA:
undetectable		 4qvqY-5ksdA:
11.91
4qvqZ-5ksdA:
15.15
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
 0.70A 4qvqY-5l5wK:
29.3
4qvqZ-5l5wK:
23.5		 4qvqY-5l5wK:
82.08
4qvqZ-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)
 1.16A 4qvqY-5m2bK:
30.7
4qvqZ-5m2bK:
23.8		 4qvqY-5m2bK:
76.42
4qvqZ-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)
 0.50A 4qvqY-5m2bK:
30.7
4qvqZ-5m2bK:
23.8		 4qvqY-5m2bK:
76.42
4qvqZ-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.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 404
THR A 407
ALA A 405
ILE A 454
GLY A 428
 None
 1.13A 4qvqY-5oasA:
undetectable
4qvqZ-5oasA:
undetectable		 4qvqY-5oasA:
14.72
4qvqZ-5oasA:
15.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ovt BPH

(Thiobacillus
denitrificans) 		no annotation 5 THR A   1
LYS A  37
ILE A  48
GLY A  50
ALA A  52
 PO4  A 301 ( 4.5A)
None
None
PO4  A 301 (-4.1A)
None
 0.84A 4qvqY-5ovtA:
18.0
4qvqZ-5ovtA:
5.1		 4qvqY-5ovtA:
18.96
4qvqZ-5ovtA:
16.91
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
 0.91A 4qvqY-5t0gR:
24.5
4qvqZ-5t0gR:
23.8		 4qvqY-5t0gR:
64.90
4qvqZ-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
 0.91A 4qvqY-5t0gR:
24.5
4qvqZ-5t0gR:
23.8		 4qvqY-5t0gR:
64.90
4qvqZ-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
 0.82A 4qvqY-5t0gR:
24.5
4qvqZ-5t0gR:
23.8		 4qvqY-5t0gR:
64.90
4qvqZ-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
 0.99A 4qvqY-5t0gR:
24.5
4qvqZ-5t0gR:
23.8		 4qvqY-5t0gR:
64.90
4qvqZ-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
 0.82A 4qvqY-5vfrR:
19.3
4qvqZ-5vfrR:
23.5		 4qvqY-5vfrR:
undetectable
4qvqZ-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 4qvqY-5vfrR:
19.3
4qvqZ-5vfrR:
23.5		 4qvqY-5vfrR:
undetectable
4qvqZ-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 4qvqY-5vn3A:
undetectable
4qvqZ-5vn3A:
undetectable		 4qvqY-5vn3A:
20.10
4qvqZ-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.
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
 1.11A 4qvqY-5yhtA:
undetectable
4qvqZ-5yhtA:
undetectable		 4qvqY-5yhtA:
15.38
4qvqZ-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.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 7 THR B   1
ALA B  20
THR B  21
ALA B  27
LYS B  33
GLY B  47
ALA B  49
 None
 0.70A 4qvqY-6avoB:
12.5
4qvqZ-6avoB:
21.0		 4qvqY-6avoB:
20.44
4qvqZ-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)
 1.11A 4qvqY-6avoC:
19.9
4qvqZ-6avoC:
24.5		 4qvqY-6avoC:
65.00
4qvqZ-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)
 0.51A 4qvqY-6avoC:
19.9
4qvqZ-6avoC:
24.5		 4qvqY-6avoC:
65.00
4qvqZ-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
 0.95A 4qvqY-6bm8A:
undetectable
4qvqZ-6bm8A:
undetectable		 4qvqY-6bm8A:
15.09
4qvqZ-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.
6cxd PEPTIDASE B

(Yersinia pestis) 		no annotation 5 THR A 225
ALA A 229
ALA A 233
ILE A 396
GLY A 418
 None
 1.16A 4qvqY-6cxdA:
undetectable
4qvqZ-6cxdA:
undetectable		 4qvqY-6cxdA:
15.09
4qvqZ-6cxdA:
15.02
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.
6f5o RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza B
virus) 		no annotation 5 ALA B 543
THR B 542
ALA B 546
ILE B 534
GLY B 537
 None
 1.20A 4qvqY-6f5oB:
undetectable
4qvqZ-6f5oB:
undetectable		 4qvqY-6f5oB:
18.36
4qvqZ-6f5oB:
17.80