SIMILAR PATTERNS OF AMINO ACIDS FOR 5LSA_A_SAMA303

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.
1cb8 PROTEIN
(CHONDROITINASE AC)

(Pedobacter
heparinus) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 GLU A 396
GLY A 394
TYR A 398
ILE A 276
ARG A 325
 None
 1.36A 5lsaA-1cb8A:
undetectable		 5lsaA-1cb8A:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f0x D-LACTATE
DEHYDROGENASE

(Escherichia
coli) 		PF01565
(FAD_binding_4)
PF09330
(Lact-deh-memb) 		5 VAL A 494
GLU A 308
GLY A 307
TYR A 309
ILE A 281
 None
 1.31A 5lsaA-1f0xA:
undetectable		 5lsaA-1f0xA:
18.18
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.
1gv0 MALATE DEHYDROGENASE

(Chlorobaculum
tepidum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASN A  94
VAL A  98
GLY A   7
ILE A  37
GLN A  39
 NAD  A1306 (-4.1A)
None
NAD  A1306 ( 4.1A)
None
None
 1.01A 5lsaA-1gv0A:
7.2		 5lsaA-1gv0A:
23.81
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.
1hr7 MITOCHONDRIAL
PROCESSING PEPTIDASE
BETA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 ASN B  62
VAL B  63
GLY B 182
ILE B 147
SER B 151
 None
 1.21A 5lsaA-1hr7B:
undetectable		 5lsaA-1hr7B:
20.41
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.
1m22 PEPTIDE AMIDASE

(Stenotrophomonas
maltophilia) 		PF01425
(Amidase) 		5 VAL A 496
ILE A 461
SER A 196
HIS A 197
TRP A 459
 None
 1.50A 5lsaA-1m22A:
undetectable		 5lsaA-1m22A:
17.92
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		5 MET A  61
GLU A  85
GLY A  87
TYR A  89
ILE A 112
 SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
SAH  A 301 (-4.0A)
 0.75A 5lsaA-1susA:
20.9		 5lsaA-1susA:
26.38
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 MET A 811
VAL A 809
GLU A 225
GLY A 222
GLN A  86
 None
 1.40A 5lsaA-2b3xA:
undetectable		 5lsaA-2b3xA:
12.86
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.
2cb5 PROTEIN (BLEOMYCIN
HYDROLASE)

(Homo sapiens) 		PF03051
(Peptidase_C1_2) 		5 ASN A 272
VAL A 271
GLY A 325
SER A  73
GLN A  67
 None
 1.46A 5lsaA-2cb5A:
undetectable		 5lsaA-2cb5A:
20.17
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.
2ece 462AA LONG
HYPOTHETICAL
SELENIUM-BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF05694
(SBP56) 		5 VAL A 209
TYR A 191
ILE A 230
SER A 243
HIS A 231
 None
 1.49A 5lsaA-2eceA:
undetectable		 5lsaA-2eceA:
18.18
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.
2j4g HYALURONOGLUCOSAMINI
DASE

(Bacteroides
thetaiotaomicron) 		PF02838
(Glyco_hydro_20b)
PF07555
(NAGidase) 		5 ASN A 250
GLY A 209
ILE A 206
SER A 172
HIS A 207
 None
 1.24A 5lsaA-2j4gA:
undetectable		 5lsaA-2j4gA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lct PROTO-ONCOGENE VAV

(Homo sapiens) 		PF00017
(SH2) 		5 GLU A 714
ILE A 718
SER A 708
HIS A 717
ARG A 696
 None
 1.46A 5lsaA-2lctA:
undetectable		 5lsaA-2lctA:
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.
2ozo TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		5 VAL A 604
GLU A  82
GLY A  79
ILE A  61
HIS A  77
 None
 1.38A 5lsaA-2ozoA:
undetectable		 5lsaA-2ozoA:
16.53
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.
2rfz CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Melanocarpus
albomyces) 		PF00840
(Glyco_hydro_7) 		5 VAL A 183
GLY A 168
TYR A 171
ILE A  34
TRP A  38
 None
None
None
None
CTR  A 432 (-3.8A)
 1.48A 5lsaA-2rfzA:
undetectable		 5lsaA-2rfzA:
19.59
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.
2vsk HEMAGGLUTININ-NEURAM
INIDASE

(Hendra
henipavirus) 		PF00423
(HN) 		5 ASN A 306
ILE A 438
SER A 411
GLN A 455
TRP A 504
 None
 1.38A 5lsaA-2vskA:
undetectable		 5lsaA-2vskA:
20.59
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.
2wjv REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 VAL A 804
GLU A 797
GLY A 798
ILE A 757
ARG A 843
 None
None
None
None
SO4  A 991 (-3.0A)
 1.44A 5lsaA-2wjvA:
3.9		 5lsaA-2wjvA:
14.94
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.
2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 VAL A 804
GLU A 797
GLY A 798
ILE A 757
ARG A 843
 None
 1.39A 5lsaA-2xzoA:
4.2		 5lsaA-2xzoA:
17.38
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.
2zyg 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Klebsiella
pneumoniae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 ASN A 187
VAL A 185
GLY A 179
ILE A 123
GLN A 145
 None
 1.46A 5lsaA-2zygA:
6.8		 5lsaA-2zygA:
18.22
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.
3awk CHALCONE
SYNTHASE-LIKE
POLYKETIDE SYNTHASE

(Huperzia
serrata) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 VAL A 355
GLU A 373
GLY A 372
ILE A 397
ARG A 395
 None
 1.37A 5lsaA-3awkA:
undetectable		 5lsaA-3awkA:
19.85
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.
3brk GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE

(Agrobacterium
tumefaciens) 		PF00483
(NTP_transferase) 		5 VAL X 360
GLY X  41
TYR X  39
ILE X 137
ARG X 268
 None
None
SO4  X 601 (-4.6A)
None
None
 1.44A 5lsaA-3brkX:
2.4		 5lsaA-3brkX:
18.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		12 MET A  40
ASN A  41
VAL A  42
GLU A  64
GLY A  66
TYR A  68
ILE A  91
SER A 119
GLN A 120
HIS A 142
TRP A 143
ARG A 146
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
None
 0.22A 5lsaA-3bwmA:
40.6		 5lsaA-3bwmA:
100.00
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.
3dkz THIOESTERASE
SUPERFAMILY PROTEIN

(Bordetella
parapertussis) 		PF03061
(4HBT) 		5 MET A 112
ASN A 113
GLU A 141
GLY A 142
ILE A 126
 None
 1.14A 5lsaA-3dkzA:
undetectable		 5lsaA-3dkzA:
22.52
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.
3fiw PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		5 MET A   4
ASN A   5
TYR A  44
SER A  26
ARG A  28
 None
 1.38A 5lsaA-3fiwA:
undetectable		 5lsaA-3fiwA:
20.09
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.
3gqc DNA REPAIR PROTEIN
REV1

(Homo sapiens) 		PF00817
(IMS)
PF11799
(IMS_C) 		5 MET A 803
GLY A 818
ILE A 739
SER A 713
HIS A 820
 None
 1.47A 5lsaA-3gqcA:
undetectable		 5lsaA-3gqcA:
19.84
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.
3kvn ESTERASE ESTA

(Pseudomonas
aeruginosa) 		no annotation 5 MET X 412
ASN X 413
GLY X 437
HIS X 464
ARG X 496
 None
 1.45A 5lsaA-3kvnX:
undetectable		 5lsaA-3kvnX:
15.56
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.
3sir CASPASE

(Drosophila
melanogaster) 		PF00656
(Peptidase_C14) 		5 GLU A  29
TYR A  63
ILE A  93
SER A  95
HIS A  28
 None
 1.39A 5lsaA-3sirA:
undetectable		 5lsaA-3sirA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sv0 CASEIN KINASE I-LIKE

(Oryza sativa) 		PF00069
(Pkinase) 		5 MET A 112
VAL A 116
GLY A 200
GLN A 214
ARG A 178
 None
 1.41A 5lsaA-3sv0A:
undetectable		 5lsaA-3sv0A:
16.60
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.
3v9e LACCASE

(Botrytis aclada) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 101
TYR A  99
ILE A  86
SER A 132
GLN A 137
 None
 1.37A 5lsaA-3v9eA:
undetectable		 5lsaA-3v9eA:
15.49
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.
3x1b LACCASE

(Lentinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 VAL A 373
GLY A 100
ILE A  84
SER A 131
GLN A 136
 None
 1.46A 5lsaA-3x1bA:
undetectable		 5lsaA-3x1bA:
19.19
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.
3zx1 OXIDOREDUCTASE,
PUTATIVE

(Campylobacter
jejuni) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 MET A 335
VAL A 337
GLU A 242
GLY A 240
SER A 188
 None
 1.15A 5lsaA-3zx1A:
undetectable		 5lsaA-3zx1A:
18.14
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.
4by2 ANASTRAL SPINDLE 2,
SAS 4

(Drosophila
melanogaster) 		PF07202
(Tcp10_C) 		5 ASN A 122
GLU A 136
TYR A 117
SER A 127
HIS A 125
 None
 1.23A 5lsaA-4by2A:
undetectable		 5lsaA-4by2A:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A 369
GLU A 336
GLY A 585
TYR A 361
GLN A 588
 None
 1.33A 5lsaA-4c2tA:
2.0		 5lsaA-4c2tA:
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 VAL A 369
GLU A 336
GLY A 585
TYR A 361
GLN A 588
 None
 1.30A 5lsaA-4c30A:
3.9		 5lsaA-4c30A:
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.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ASN A 216
GLY A 196
SER A 153
GLN A 136
ARG A 156
 None
 1.48A 5lsaA-4mjuA:
undetectable		 5lsaA-4mjuA:
19.24
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.
4mpz SAS-4

(Drosophila
melanogaster) 		PF07202
(Tcp10_C) 		5 ASN A 771
GLU A 785
TYR A 766
SER A 776
HIS A 774
 None
 1.30A 5lsaA-4mpzA:
undetectable		 5lsaA-4mpzA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		5 GLY A 332
TYR A  78
ILE A 145
SER A 147
HIS A 123
 None
 1.35A 5lsaA-4n03A:
5.1		 5lsaA-4n03A:
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.
4omb PHOSPHATE BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF12849
(PBP_like_2) 		5 ASN A 223
VAL A 176
GLY A 226
SER A 228
ARG A 181
 None
None
None
None
PO4  A 401 (-2.8A)
 1.32A 5lsaA-4ombA:
undetectable		 5lsaA-4ombA:
22.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		7 GLU A 107
GLY A 109
ILE A 134
SER A 162
GLN A 163
HIS A 185
ARG A 189
 None
2F6  A 301 (-3.6A)
2F6  A 301 (-3.7A)
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
None
 0.55A 5lsaA-4p58A:
33.3		 5lsaA-4p58A:
81.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		6 GLU A 107
GLY A 109
TYR A 138
SER A 162
HIS A 185
ARG A 189
 None
2F6  A 301 (-3.6A)
None
2F6  A 301 (-3.2A)
None
None
 1.02A 5lsaA-4p58A:
33.3		 5lsaA-4p58A:
81.60
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.
4pqj PHOSPHATE BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF12849
(PBP_like_2) 		5 ASN A 223
VAL A 176
GLY A 226
SER A 228
ARG A 181
 None
None
None
None
PO4  A 401 (-2.7A)
 1.34A 5lsaA-4pqjA:
undetectable		 5lsaA-4pqjA:
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.
4xsr ALR3699 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 ASN B 200
VAL B 229
GLY B 204
SER B 207
HIS B 205
 None
None
None
UPG  B 403 ( 4.7A)
None
 1.25A 5lsaA-4xsrB:
4.4		 5lsaA-4xsrB:
19.69
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.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		5 ASN A 469
GLY A 310
ILE A 308
SER A 589
HIS A 565
 None
 1.38A 5lsaA-5amqA:
undetectable		 5lsaA-5amqA:
7.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dzt CYLM

(Enterococcus
faecalis) 		PF05147
(LANC_like)
PF13575
(DUF4135) 		5 ASN A  11
GLY A  60
TYR A  53
GLN A  31
TRP A  33
 None
 1.49A 5lsaA-5dztA:
undetectable		 5lsaA-5dztA:
12.26
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.
5gjn LYSINE/ORNITHINE
DECARBOXYLASE

(Selenomonas
ruminantium) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ASN A 361
GLU A 287
GLY A 288
TYR A 290
ILE A 296
 None
 1.24A 5lsaA-5gjnA:
undetectable		 5lsaA-5gjnA:
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.
5gjv VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		PF00520
(Ion_trans)
PF08763
(Ca_chan_IQ)
PF16905
(GPHH) 		5 ASN A 654
VAL A 655
GLY A 648
TYR A 650
ILE A 643
 None
None
None
PC1  A1906 ( 4.8A)
PC1  A1903 ( 4.5A)
 1.35A 5lsaA-5gjvA:
undetectable		 5lsaA-5gjvA:
7.85
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.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 5 VAL A 380
GLY A 339
ILE A 186
HIS A 364
TRP A 189
 NAG  A 704 (-3.6A)
None
None
None
None
 1.34A 5lsaA-5gqfA:
undetectable		 5lsaA-5gqfA:
16.53
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.
5i5h INNER MEMBRANE
PROTEIN YEJM

(Escherichia
coli) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 GLU A 459
GLY A 467
TYR A 272
ILE A 453
HIS A 468
 None
 1.43A 5lsaA-5i5hA:
undetectable		 5lsaA-5i5hA:
15.33
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.
5jia RAN-BINDING PROTEIN
10

(Mus musculus) 		PF00622
(SPRY) 		5 GLY A  67
SER A  69
GLN A  70
HIS A  76
ARG A  74
 None
 1.18A 5lsaA-5jiaA:
undetectable		 5lsaA-5jiaA:
22.92
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 MET A  75
GLU A  99
GLY A 101
TYR A 103
ILE A 126
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
SAM  A 301 (-4.2A)
 0.70A 5lsaA-5kvaA:
21.2		 5lsaA-5kvaA:
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE GAMMA
SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B)
PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 VAL B 178
ILE B 106
SER A 463
GLN A 483
HIS B 100
 None
 1.31A 5lsaA-5l9wB:
undetectable		 5lsaA-5l9wB:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lm7 TRANSCRIPTION
TERMINATION/ANTITERM
INATION PROTEIN NUSA

(Escherichia
coli) 		PF00575
(S1)
PF08529
(NusA_N)
PF13184
(KH_5) 		5 VAL A 186
GLU A 134
GLY A 135
TYR A 184
ILE A 137
 None
 1.49A 5lsaA-5lm7A:
undetectable		 5lsaA-5lm7A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqo NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bacteroides
thetaiotaomicron) 		PF07944
(Glyco_hydro_127) 		5 ASN A 301
GLY A 306
TYR A 304
ILE A 268
SER A 264
 None
 1.48A 5lsaA-5mqoA:
undetectable		 5lsaA-5mqoA:
16.57
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.
5x49 PROBABLE XAA-PRO
AMINOPEPTIDASE 3

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 VAL A 430
GLU A 451
GLY A 423
ILE A 384
HIS A 421
 None
MN  A 601 ( 2.5A)
DMS  A 607 ( 4.4A)
None
None
 1.40A 5lsaA-5x49A:
undetectable		 5lsaA-5x49A:
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.
5x7f PUTATIVE
O-METHYLTRANSFERASE
RV1220C

(Mycobacterium
tuberculosis) 		PF01596
(Methyltransf_3) 		5 VAL A  42
GLU A  64
GLY A  66
ILE A  91
GLN A 121
 SAM  A 301 (-3.5A)
SAM  A 301 ( 4.7A)
SAM  A 301 (-3.5A)
SAM  A 301 (-3.9A)
SAM  A 301 (-3.2A)
 0.87A 5lsaA-5x7fA:
20.7		 5lsaA-5x7fA:
26.59
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.
5xb6 UNCHARACTERIZED
PROTEIN YCJY

(Escherichia
coli) 		no annotation 5 ASN A  85
GLU A  91
TYR A  87
ILE A 128
GLN A 243
 None
 1.12A 5lsaA-5xb6A:
2.8		 5lsaA-5xb6A:
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 5 ASN A 448
VAL A 449
GLY A 455
ILE A 514
SER A 461
 None
 1.35A 5lsaA-5y9dA:
undetectable		 5lsaA-5y9dA:
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.
6byo VOLTAGE-DEPENDENT
L-TYPE CALCIUM
CHANNEL SUBUNIT
ALPHA-1S

(Oryctolagus
cuniculus) 		no annotation 5 ASN A 654
VAL A 655
GLY A 648
TYR A 650
ILE A 643
 None
 1.36A 5lsaA-6byoA:
undetectable		 5lsaA-6byoA:
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 5 GLY A 208
TYR A 266
ILE A 260
SER A 211
HIS A 209
 None
None
None
LLP  A 318 ( 3.8A)
LLP  A 318 (-3.5A)
 1.17A 5lsaA-6cczA:
4.2		 5lsaA-6cczA:
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 ASN A 730
VAL A 731
GLY A 689
GLN A 664
HIS A 688
 None
 1.47A 5lsaA-6fikA:
undetectable		 5lsaA-6fikA:
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.
6grw -

(-) 		no annotation 5 VAL A 238
GLY A 202
ILE A 160
SER A 156
TRP A 159
 None
 1.47A 5lsaA-6grwA:
undetectable		 5lsaA-6grwA:
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.
1n4k INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Mus musculus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR) 		4 TYR A 313
SER A 366
GLU A 317
ASP A 363
 None
 1.19A 5lsaA-1n4kA:
undetectable		 5lsaA-1n4kA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vkh PUTATIVE SERINE
HYDROLASE

(Saccharomyces
cerevisiae) 		PF07859
(Abhydrolase_3) 		4 TYR A 209
SER A 208
GLU A 212
ASP A 151
 None
 1.49A 5lsaA-1vkhA:
3.2		 5lsaA-1vkhA:
25.36
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.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		4 TYR A 115
SER A 116
GLU A 134
ASP A 185
 None
SAM  A 501 (-3.0A)
SAM  A 501 (-2.9A)
SAM  A 501 (-3.4A)
 0.35A 5lsaA-2avdA:
21.1		 5lsaA-2avdA:
22.69
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.
2dyl DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 7

(Homo sapiens) 		PF00069
(Pkinase) 		4 TYR A 299
SER A 323
GLU A 303
ASP A 320
 None
 1.39A 5lsaA-2dylA:
undetectable		 5lsaA-2dylA:
21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		4 TYR A  71
SER A  72
GLU A  90
ASP A 141
 None
SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.12A 5lsaA-3bwmA:
40.6		 5lsaA-3bwmA:
100.00
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.
3dul O-METHYLTRANSFERASE,
PUTATIVE

(Bacillus cereus) 		PF01596
(Methyltransf_3) 		4 TYR A  71
SER A  72
GLU A  90
ASP A 140
 None
 1.15A 5lsaA-3dulA:
21.1		 5lsaA-3dulA:
27.62
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.
3eq2 PROBABLE
TWO-COMPONENT
RESPONSE REGULATOR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF07228
(SpoIIE) 		4 TYR A 283
SER A 284
GLU A 249
ASP A 319
 None
 1.37A 5lsaA-3eq2A:
1.4		 5lsaA-3eq2A:
19.60
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.
3otn SUSD SUPERFAMILY
PROTEIN

(Parabacteroides
distasonis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 TYR A 222
SER A 240
GLU A 393
ASP A 220
 None
 1.31A 5lsaA-3otnA:
undetectable		 5lsaA-3otnA:
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.
3udb SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		4 TYR A 182
SER A 202
GLU A 186
ASP A 199
 None
 1.40A 5lsaA-3udbA:
undetectable		 5lsaA-3udbA:
21.99
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.
3ujg SERINE/THREONINE-PRO
TEIN KINASE SRK2E

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		4 TYR A 182
SER A 202
GLU A 186
ASP A 199
 None
 1.48A 5lsaA-3ujgA:
undetectable		 5lsaA-3ujgA:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		4 TYR A 114
SER A 115
GLU A 133
ASP A 184
 None
None
2F6  A 301 (-2.7A)
None
 0.75A 5lsaA-4p58A:
33.3		 5lsaA-4p58A:
81.60
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.
4s13 FERULIC ACID
DECARBOXYLASE 1

(Saccharomyces
cerevisiae) 		PF01977
(UbiD) 		4 TYR A 156
SER A 317
GLU A 285
ASP A 324
 None
None
4VP  A 601 (-2.3A)
None
 1.43A 5lsaA-4s13A:
undetectable		 5lsaA-4s13A:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		4 TYR A  78
SER A  79
GLU A  98
ASP A 144
 None
SAM  A1001 (-2.7A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.6A)
 0.18A 5lsaA-4ymgA:
20.9		 5lsaA-4ymgA:
26.48
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.
5cek TRIBBLES HOMOLOG 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 TYR A 248
SER A 269
GLU A 252
ASP A 266
 None
 1.46A 5lsaA-5cekA:
undetectable		 5lsaA-5cekA:
21.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis) 		PF01596
(Methyltransf_3) 		4 TYR A  70
SER A  71
GLU A  89
ASP A 139
 None
SAM  A 306 (-2.2A)
SAM  A 306 (-2.4A)
SAM  A 306 (-2.3A)
 0.48A 5lsaA-5n5dA:
22.8		 5lsaA-5n5dA:
30.25
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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 TYR A 220
SER A 161
GLU A 215
ASP A  63
 None
None
THG  A 501 (-2.8A)
None
 1.34A 5lsaA-5x1nA:
undetectable		 5lsaA-5x1nA:
17.66
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.
5z59 PROTEIN-TYROSINE
PHOSPHATASE

(Thermococcus
kodakarensis) 		no annotation 4 TYR A 110
SER A 111
GLU A 122
ASP A   9
 None
 1.32A 5lsaA-5z59A:
undetectable		 5lsaA-5z59A:
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 4 TYR A  67
SER A  68
GLU A  85
ASP A 133
 None
SAM  A 302 (-2.7A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.6A)
 0.40A 5lsaA-5zw4A:
22.8		 5lsaA-5zw4A:
undetectable