SIMILAR PATTERNS OF AMINO ACIDS FOR 4B3A_A_TACA222_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.
1dpp DIPEPTIDE BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		5 LEU A 175
PHE A  92
PRO A  16
ILE A 157
SER A  93
 None
 1.37A 4b3aA-1dppA:
undetectable		 4b3aA-1dppA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ARG A1546
PRO A1545
VAL A1304
ILE A1316
SER A1310
 None
 1.37A 4b3aA-1e6yA:
0.0		 4b3aA-1e6yA:
18.15
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		5 LEU A  42
PHE A 100
PRO A  24
VAL A  88
SER A 120
 None
 1.38A 4b3aA-1ituA:
undetectable		 4b3aA-1ituA:
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.
1keh PRECURSOR OF
CEPHALOSPORIN
ACYLASE

(Brevundimonas
diminuta) 		PF01804
(Penicil_amidase) 		5 SER A 412
ASN A 411
PRO A 544
VAL A 448
GLN A 410
 None
 1.19A 4b3aA-1kehA:
0.0		 4b3aA-1kehA:
14.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 HIS A  64
ASN A  82
PHE A  86
GLN A 109
VAL A 113
GLN A 116
ILE A 134
SER A 138
 None
 1.08A 4b3aA-1qpiA:
25.3		 4b3aA-1qpiA:
99.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 HIS A  64
SER A  67
ASN A  82
PHE A  86
VAL A 113
GLN A 116
ILE A 134
SER A 138
 None
 0.59A 4b3aA-1qpiA:
25.3		 4b3aA-1qpiA:
99.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 LEU A  60
HIS A  64
ASN A  82
PHE A  86
GLN A 109
GLN A 116
ILE A 134
SER A 138
 None
 1.04A 4b3aA-1qpiA:
25.3		 4b3aA-1qpiA:
99.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qpi PROTEIN
(TETRACYCLINE
REPRESSOR)

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 LEU A  60
HIS A  64
SER A  67
ASN A  82
PHE A  86
GLN A 116
ILE A 134
SER A 138
 None
 0.64A 4b3aA-1qpiA:
25.3		 4b3aA-1qpiA:
99.51
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.
1t8w AMP NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1)
PF10423
(AMNp_N) 		5 SER A  56
ARG A  47
GLN A 118
ILE A 121
SER A  24
 None
 1.34A 4b3aA-1t8wA:
undetectable		 4b3aA-1t8wA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x25 HYPOTHETICAL UPF0076
PROTEIN ST0811

(Sulfurisphaera
tokodaii) 		PF01042
(Ribonuc_L-PSP) 		5 SER A  67
ARG A 102
PRO A 100
VAL A  71
ILE A  57
 None
 1.40A 4b3aA-1x25A:
undetectable		 4b3aA-1x25A:
18.36
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.
2a9m FLUORESCEIN-SCFV
HEAVY CHAIN

(Homo sapiens) 		PF07686
(V-set) 		5 LEU H   4
ASN H  87
PHE H  29
ARG H 109
VAL H  89
 None
 1.39A 4b3aA-2a9mH:
undetectable		 4b3aA-2a9mH:
20.28
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.
2a9m FLUORESCEIN-SCFV
HEAVY CHAIN

(Homo sapiens) 		PF07686
(V-set) 		5 LEU H   4
SER H  88
ASN H  87
PHE H  29
ARG H 109
 None
 1.49A 4b3aA-2a9mH:
undetectable		 4b3aA-2a9mH:
20.28
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.
2c79 GLYCOSIDE HYDROLASE,
FAMILY
11:CLOSTRIDIUM
CELLULOSOME ENZYME,
DOCKERIN TYPE
I:POLYSACCHARIDE

(Ruminiclostridium
thermocellum) 		PF01522
(Polysacc_deac_1) 		5 LEU A 502
HIS A 534
PHE A 511
ARG A 497
ILE A 525
 None
 1.42A 4b3aA-2c79A:
0.0		 4b3aA-2c79A:
23.40
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.
2c79 GLYCOSIDE HYDROLASE,
FAMILY
11:CLOSTRIDIUM
CELLULOSOME ENZYME,
DOCKERIN TYPE
I:POLYSACCHARIDE

(Ruminiclostridium
thermocellum) 		PF01522
(Polysacc_deac_1) 		5 LEU A 502
HIS A 534
SER A 532
ARG A 497
ILE A 525
 None
 1.43A 4b3aA-2c79A:
0.0		 4b3aA-2c79A:
23.40
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.
2d39 FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 LEU A 208
SER A 315
ASN A 305
GLN A 216
SER A 247
 None
 1.42A 4b3aA-2d39A:
undetectable		 4b3aA-2d39A:
20.76
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.
2d99 GENERAL
TRANSCRIPTION FACTOR
II-I REPEAT
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF02946
(GTF2I) 		5 SER A  73
PHE A  78
ARG A  57
PRO A  58
VAL A  12
 None
 1.50A 4b3aA-2d99A:
undetectable		 4b3aA-2d99A:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rb5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		5 ARG A  45
PRO A  46
GLN A 149
VAL A 107
ILE A 134
 None
 1.34A 4b3aA-2rb5A:
0.0		 4b3aA-2rb5A:
21.89
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.
2rb5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		5 PHE A 178
PRO A  46
GLN A 149
VAL A 107
ILE A 134
 None
 1.06A 4b3aA-2rb5A:
0.0		 4b3aA-2rb5A:
21.89
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.
2yg6 PUTRESCINE OXIDASE

(Rhodococcus
erythropolis) 		PF01593
(Amino_oxidase) 		5 LEU A 174
SER A 290
GLN A 185
GLN A 289
ILE A 425
 None
 1.40A 4b3aA-2yg6A:
undetectable		 4b3aA-2yg6A:
22.10
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.
3a27 UNCHARACTERIZED
PROTEIN MJ1557

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		5 LEU A 222
PHE A 246
ARG A 210
PRO A 207
VAL A 227
 None
 1.47A 4b3aA-3a27A:
undetectable		 4b3aA-3a27A:
21.13
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.
3huu TRANSCRIPTION
REGULATOR LIKE
PROTEIN

(Staphylococcus
haemolyticus) 		PF13377
(Peripla_BP_3) 		5 LEU A 137
HIS A 142
SER A 202
ILE A 226
SER A 291
 None
 1.25A 4b3aA-3huuA:
undetectable		 4b3aA-3huuA:
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.
3lda DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 LEU A 285
GLN A 258
VAL A 279
ILE A 180
SER A 353
 None
 1.40A 4b3aA-3ldaA:
undetectable		 4b3aA-3ldaA:
22.43
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.
3o2s RNA POLYMERASE II
SUBUNIT A C-TERMINAL
DOMAIN PHOSPHATASE
SSU72

(Homo sapiens) 		PF04722
(Ssu72) 		5 LEU B  85
ARG B  94
PRO B  95
GLN B  16
VAL B  42
 None
 1.32A 4b3aA-3o2sB:
undetectable		 4b3aA-3o2sB:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rd8 FUMARATE HYDRATASE
CLASS II

(Mycolicibacterium
smegmatis) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 LEU A 389
SER A 167
PHE A 198
ARG A 294
PRO A 328
 None
 1.49A 4b3aA-3rd8A:
undetectable		 4b3aA-3rd8A:
17.52
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.
3upy OXIDOREDUCTASE

(Brucella
abortus) 		PF03447
(NAD_binding_3) 		5 SER A 273
PRO A 252
VAL A 271
ILE A 264
SER A 188
 None
 1.16A 4b3aA-3upyA:
undetectable		 4b3aA-3upyA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		5 HIS A 274
PHE A 247
PRO A 212
VAL A 134
ILE A 253
 NHE  A 401 (-3.4A)
NHE  A 401 (-3.7A)
None
None
None
 1.46A 4b3aA-3wibA:
undetectable		 4b3aA-3wibA:
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.
4a29 ENGINEERED
RETRO-ALDOL ENZYME
RA95.0

(synthetic
construct) 		PF00218
(IGPS) 		5 LEU A 231
SER A 181
ARG A 223
GLN A 194
ILE A 198
 None
MLT  A 300 ( 4.4A)
None
None
None
 1.42A 4b3aA-4a29A:
undetectable		 4b3aA-4a29A:
20.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ac0 TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		7 LEU A  60
HIS A  64
ASN A  82
PHE A  86
ARG A 104
PRO A 105
GLN A 109
 MIY  A1204 ( 4.9A)
MIY  A1204 (-3.8A)
MIY  A1204 (-3.0A)
MIY  A1204 (-3.5A)
MIY  A1204 (-4.2A)
MIY  A1204 (-4.4A)
MIY  A1204 (-3.9A)
 0.88A 4b3aA-4ac0A:
26.4		 4b3aA-4ac0A:
64.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ac0 TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0

(Escherichia
coli) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		7 LEU A  60
HIS A  64
ASN A  82
PHE A  86
PRO A 105
GLN A 109
GLN A 116
 MIY  A1204 ( 4.9A)
MIY  A1204 (-3.8A)
MIY  A1204 (-3.0A)
MIY  A1204 (-3.5A)
MIY  A1204 (-4.4A)
MIY  A1204 (-3.9A)
MIY  A1204 (-2.8A)
 0.42A 4b3aA-4ac0A:
26.4		 4b3aA-4ac0A:
64.85
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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 SER A2059
PHE A2061
ARG A1874
VAL A2010
ILE A2067
 None
 1.45A 4b3aA-4asiA:
undetectable		 4b3aA-4asiA:
15.41
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.
4aw7 GH86A
BETA-PORPHYRANASE

(Bacteroides
plebeius) 		no annotation 5 LEU A 407
ASN A 460
ARG A 249
ILE A 240
SER A 303
 None
 1.39A 4b3aA-4aw7A:
undetectable		 4b3aA-4aw7A:
18.45
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.
4bok ALPHA-1,6-MANNANASE

(Bacillus
circulans) 		PF03663
(Glyco_hydro_76) 		5 LEU A  81
ASN A  49
PHE A  48
VAL A 105
GLN A 101
 None
 1.17A 4b3aA-4bokA:
undetectable		 4b3aA-4bokA:
21.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4d5c TETRACYCLINE
REPRESSOR PROTEIN
TETR

(Proteus
mirabilis) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		8 LEU A  60
HIS A  64
ASN A  82
PHE A  86
ARG A 104
PRO A 105
GLN A 109
GLN A 116
 None
 0.84A 4b3aA-4d5cA:
26.6		 4b3aA-4d5cA:
59.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ij4 CHITINASE A

(Gemmabryum
coronatum) 		PF00182
(Glyco_hydro_19) 		5 LEU A  28
SER A  30
ASN A  33
PRO A   9
SER A   2
 None
 1.19A 4b3aA-4ij4A:
undetectable		 4b3aA-4ij4A:
22.55
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.
4j72 PHOSPHO-N-ACETYLMURA
MOYL-PENTAPEPTIDE-TR
ANSFERASE

(Aquifex
aeolicus) 		PF00953
(Glycos_transf_4)
PF10555
(MraY_sig1) 		5 LEU A 210
PHE A 288
VAL A 103
ILE A 182
SER A 185
 None
 1.19A 4b3aA-4j72A:
1.6		 4b3aA-4j72A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4knc ALGINATE
BIOSYNTHESIS PROTEIN
ALGX

(Pseudomonas
aeruginosa) 		no annotation 5 LEU B 427
ASN B 397
PRO B 341
VAL B 424
ILE B 411
 None
 1.43A 4b3aA-4kncB:
undetectable		 4b3aA-4kncB:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m0h CONSERVED
HYPOTHETICAL
PROTEIN, PUTATIVE
ANTI-SIGMA FACTOR

(Parabacteroides
distasonis) 		PF04773
(FecR)
PF16344
(DUF4974) 		5 LEU A 261
HIS A 147
PHE A 174
GLN A 262
SER A 200
 None
 1.29A 4b3aA-4m0hA:
undetectable		 4b3aA-4m0hA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n30 PROTEIN DISULFIDE
ISOMERASE

(Pseudomonas
aeruginosa) 		PF13462
(Thioredoxin_4) 		5 LEU A 154
PRO A 147
GLN A 151
GLN A 131
SER A 123
 None
 1.24A 4b3aA-4n30A:
undetectable		 4b3aA-4n30A:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nx1 C4-DICARBOXYLATE
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF03480
(DctP) 		5 HIS A 235
PRO A 191
VAL A 174
GLN A 180
ILE A 179
 None
 1.46A 4b3aA-4nx1A:
undetectable		 4b3aA-4nx1A:
22.66
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.
4nx9 FLAGELLIN

(Pseudomonas
aeruginosa) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C) 		5 SER A 150
ARG A 323
VAL A 148
GLN A 147
ILE A 155
 None
 1.39A 4b3aA-4nx9A:
2.3		 4b3aA-4nx9A:
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.
4pvi GH62 HYDROLASE

(Mycothermus
thermophilus) 		PF03664
(Glyco_hydro_62) 		5 SER A 300
PHE A 261
PRO A  56
GLN A 328
ILE A 348
 None
 1.39A 4b3aA-4pviA:
undetectable		 4b3aA-4pviA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		5 LEU A 305
PHE A 307
PRO A 346
VAL A 348
ILE A 397
 None
 1.44A 4b3aA-4repA:
1.2		 4b3aA-4repA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c54 DIHYDRODIPICOLINATE
SYNTHASE/N-ACETYLNEU
RAMINATE LYASE

(Corynebacterium
glutamicum) 		PF00701
(DHDPS) 		5 LEU A 216
ASN A 247
PHE A 250
VAL A 201
GLN A 243
 None
 1.22A 4b3aA-5c54A:
undetectable		 4b3aA-5c54A:
24.84
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.
5dvj BINDING PROTEIN
COMPONENT OF ABC
SUGAR TRANSPORTER

(Pseudomonas
putida) 		PF01547
(SBP_bac_1) 		5 LEU A 373
PHE A 298
PRO A 122
GLN A 124
VAL A 125
 None
None
SO4  A 503 (-4.6A)
SO4  A 503 ( 4.7A)
None
 1.38A 4b3aA-5dvjA:
undetectable		 4b3aA-5dvjA:
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.
5fno MANGANESE
LIPOXYGENASE

(Magnaporthe
oryzae) 		PF00305
(Lipoxygenase) 		5 HIS A 487
SER A 481
GLN A 519
ILE A 143
SER A 148
 None
 1.07A 4b3aA-5fnoA:
undetectable		 4b3aA-5fnoA:
17.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA
T-COMPLEX PROTEIN 1
SUBUNIT EPSILON

(Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1) 		5 LEU b 103
ASN b  71
ARG b 510
VAL b  76
ILE e  73
 None
 1.36A 4b3aA-5gw5b:
2.8		 4b3aA-5gw5b:
19.17
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.
5k7l POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 1

(Rattus
norvegicus) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF13426
(PAS_9) 		5 LEU A 674
PHE A 617
ARG A 635
VAL A 608
ILE A 610
 None
 1.30A 4b3aA-5k7lA:
undetectable		 4b3aA-5k7lA:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m77 ALPHA-1,6-MANNANASE

(Bacillus
circulans) 		PF03422
(CBM_6)
PF03663
(Glyco_hydro_76) 		5 LEU A  81
ASN A  49
PHE A  48
VAL A 105
GLN A 101
 None
EDO  A 602 (-3.9A)
None
None
EDO  A 602 ( 3.7A)
 1.17A 4b3aA-5m77A:
undetectable		 4b3aA-5m77A:
18.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 7 LEU A  60
HIS A  64
ASN A  82
PHE A  86
ARG A 104
PRO A 105
GLN A 116
 TDC  A 301 ( 4.9A)
TDC  A 301 (-3.8A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
TDC  A 301 (-4.0A)
TDC  A 301 (-4.5A)
TDC  A 301 (-2.8A)
 0.58A 4b3aA-5mruA:
24.0		 4b3aA-5mruA:
47.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 7 LEU A  60
HIS A  64
ASN A  82
PHE A  86
PRO A 105
GLN A 116
SER A 138
 TDC  A 301 ( 4.9A)
TDC  A 301 (-3.8A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
TDC  A 301 (-4.5A)
TDC  A 301 (-2.8A)
TDC  A 301 ( 3.7A)
 0.68A 4b3aA-5mruA:
24.0		 4b3aA-5mruA:
47.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 5 LEU A  60
HIS A  64
SER A  67
ASN A  82
ILE A 137
 TDC  A 301 ( 4.9A)
TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
TDC  A 301 ( 4.5A)
 1.33A 4b3aA-5mruA:
24.0		 4b3aA-5mruA:
47.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mru TETRACYCLINE
REPRESSOR, CLASS A

(Pseudomonas sp.) 		no annotation 7 LEU A  60
HIS A  64
SER A  67
ASN A  82
PHE A  86
GLN A 116
SER A 138
 TDC  A 301 ( 4.9A)
TDC  A 301 (-3.8A)
TDC  A 301 (-3.3A)
TDC  A 301 (-3.2A)
TDC  A 301 (-3.3A)
TDC  A 301 (-2.8A)
TDC  A 301 ( 3.7A)
 0.73A 4b3aA-5mruA:
24.0		 4b3aA-5mruA:
47.57
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.
5mz9 -

(-) 		no annotation 5 LEU A 507
ASN A 160
PHE A 607
PRO A 579
GLN A 540
 None
 1.49A 4b3aA-5mz9A:
undetectable		 4b3aA-5mz9A:
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.
5oms CYTOCHROME P450

(Amycolatopsis
sp. ATCC 39116) 		no annotation 5 LEU A 286
HIS A 346
PHE A 349
ARG A 367
PRO A 279
 None
None
HEM  A 501 (-4.6A)
None
None
 1.05A 4b3aA-5omsA:
undetectable		 4b3aA-5omsA:
16.49
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.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 LEU B 288
PHE A 531
GLN B 257
VAL A 535
ILE A 503
 None
 1.43A 4b3aA-5ovnB:
undetectable		 4b3aA-5ovnB:
14.78
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.
5u2l HEAT SHOCK PROTEIN
104

(Candida
albicans) 		PF02861
(Clp_N) 		5 SER A 158
PRO A  38
GLN A  47
GLN A 111
ILE A  11
 None
 1.43A 4b3aA-5u2lA:
undetectable		 4b3aA-5u2lA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x6n DUFFY BINDING
PROTEIN

(Plasmodium
knowlesi) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		5 LEU A  87
ASN A  95
PHE A  98
ARG A 165
ILE A 175
 None
 1.35A 4b3aA-5x6nA:
2.4		 4b3aA-5x6nA:
20.17