SIMILAR PATTERNS OF AMINO ACIDS FOR 3BWY_A_SAMA301_0

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
 1.43A 3bwyA-1cb8A:
undetectable		 3bwyA-1cb8A:
14.43
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.
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 3bwyA-1f0xA:
undetectable		 3bwyA-1f0xA:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 VAL A 250
TYR A 336
ILE A 120
HIS A 116
ARG A 119
 FAD  A 801 ( 4.8A)
None
None
None
None
 1.36A 3bwyA-1fohA:
4.1		 3bwyA-1fohA:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m1j FIBRINOGEN BETA
CHAIN

(Gallus gallus) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 MET B 451
GLY B 446
TYR B 449
TYR B 421
SER B 362
 None
 1.35A 3bwyA-1m1jB:
undetectable		 3bwyA-1m1jB:
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.
1mro METHYL-COENZYME M
REDUCTASE

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 VAL A 482
GLU A 487
GLY A 486
TYR A 333
SER A 492
 TP7  A9000 (-4.1A)
None
None
None
None
 1.40A 3bwyA-1mroA:
undetectable		 3bwyA-1mroA:
18.11
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.
1mz5 SIALIDASE

(Trypanosoma
rangeli) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 GLU A 358
GLY A 342
SER A 335
GLN A 333
ARG A 317
 None
 1.18A 3bwyA-1mz5A:
undetectable		 3bwyA-1mz5A:
17.43
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 VAL A1385
GLY A1361
TYR A1366
ILE A1359
ARG A1378
 None
 1.40A 3bwyA-1ofeA:
undetectable		 3bwyA-1ofeA:
9.89
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.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 VAL A 203
GLY A 230
ILE A  46
SER A  49
ARG A 177
 SAH  A 319 (-4.3A)
None
None
None
None
 1.41A 3bwyA-1pegA:
undetectable		 3bwyA-1pegA:
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.
1pix GLUTACONYL-COA
DECARBOXYLASE A
SUBUNIT

(Acidaminococcus
fermentans) 		PF01039
(Carboxyl_trans) 		5 VAL A 538
GLU A 448
GLY A 464
ILE A 436
GLN A 440
 None
 1.41A 3bwyA-1pixA:
undetectable		 3bwyA-1pixA:
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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ILE A 112
 SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
SAH  A 301 (-4.0A)
 0.80A 3bwyA-1susA:
21.0		 3bwyA-1susA:
24.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wxj TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00290
(Trp_syntA) 		5 VAL A 123
GLY A  49
ILE A  62
SER A  66
GLN A  63
 None
None
IPL  A1001 ( 4.2A)
None
None
 1.49A 3bwyA-1wxjA:
undetectable		 3bwyA-1wxjA:
23.78
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.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLY A 699
ILE A 697
SER A 710
HIS A 698
TRP A 623
 None
 1.49A 3bwyA-1z68A:
2.3		 3bwyA-1z68A:
15.76
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.
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
 1.39A 3bwyA-2b3xA:
undetectable		 3bwyA-2b3xA:
13.06
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.
2h1y MALONYL COENZYME
A-ACYL CARRIER
PROTEIN TRANSACYLASE

(Helicobacter
pylori) 		PF00698
(Acyl_transf_1) 		5 VAL A  96
GLY A   9
TYR A  65
GLN A 163
HIS A  91
 None
 1.20A 3bwyA-2h1yA:
undetectable		 3bwyA-2h1yA:
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.
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
 1.45A 3bwyA-2lctA:
undetectable		 3bwyA-2lctA:
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.
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
 1.37A 3bwyA-2ozoA:
undetectable		 3bwyA-2ozoA:
15.88
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.
2rau PUTATIVE ESTERASE

(Sulfolobus
solfataricus) 		PF12146
(Hydrolase_4) 		5 VAL A  52
GLY A 149
TYR A 146
ILE A 155
SER A 151
 None
None
None
None
PEG  A 360 (-3.2A)
 1.35A 3bwyA-2rauA:
2.4		 3bwyA-2rauA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.49A 3bwyA-2rfzA:
undetectable		 3bwyA-2rfzA:
19.68
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.
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
 1.44A 3bwyA-2xzoA:
4.5		 3bwyA-2xzoA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.41A 3bwyA-3awkA:
undetectable		 3bwyA-3awkA:
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.
3b13 DEDICATOR OF
CYTOKINESIS PROTEIN
2

(Homo sapiens) 		PF06920
(DHR-2) 		5 VAL A1591
GLY A1583
TYR A1516
ILE A1509
GLN A1576
 None
 1.46A 3bwyA-3b13A:
undetectable		 3bwyA-3b13A:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bvh FIBRINOGEN BETA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		5 MET B 447
GLY B 442
TYR B 445
TYR B 417
SER B 358
 None
 1.29A 3bwyA-3bvhB:
undetectable		 3bwyA-3bvhB:
18.87
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
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
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 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
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
 0.12A 3bwyA-3bwmA:
41.9		 3bwyA-3bwmA:
99.53
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.
3i3w PHOSPHOGLUCOSAMINE
MUTASE

(Francisella
tularensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLU A 322
GLY A 321
TYR A 307
ILE A 319
GLN A 344
 None
 1.48A 3bwyA-3i3wA:
undetectable		 3bwyA-3i3wA:
19.64
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.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 VAL A  55
GLU A  77
GLY A  79
TYR A  84
GLN A 154
 SO4  A 233 (-4.2A)
SO4  A 233 (-4.0A)
None
SO4  A 233 (-4.9A)
None
 1.14A 3bwyA-3ntvA:
20.9		 3bwyA-3ntvA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r4d SPIKE GLYCOPROTEIN

(Murine
coronavirus) 		PF16451
(Spike_NTD) 		5 VAL B 140
GLY B 129
TYR B 137
TYR B 155
ILE B 235
 None
 1.42A 3bwyA-3r4dB:
undetectable		 3bwyA-3r4dB:
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.
3sir CASPASE

(Drosophila
melanogaster) 		PF00656
(Peptidase_C14) 		5 GLU A  29
TYR A  63
ILE A  93
SER A  95
HIS A  28
 None
 1.41A 3bwyA-3sirA:
undetectable		 3bwyA-3sirA:
20.79
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.
3ss6 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 VAL A 325
TYR A 322
ILE A 349
SER A  90
GLN A  85
 None
None
CSO  A  88 ( 4.4A)
CSO  A  88 ( 4.7A)
None
 1.35A 3bwyA-3ss6A:
undetectable		 3bwyA-3ss6A:
21.34
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.
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
 1.45A 3bwyA-3sv0A:
undetectable		 3bwyA-3sv0A:
16.36
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.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		5 VAL A 198
GLY A  55
TYR A 344
TRP A 170
ARG A  52
 None
 1.25A 3bwyA-3up4A:
undetectable		 3bwyA-3up4A:
18.68
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 VAL A 792
GLY A  85
ILE A 786
SER A 100
ARG A 881
 None
 1.36A 3bwyA-3v8xA:
undetectable		 3bwyA-3v8xA:
12.56
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.
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
 1.39A 3bwyA-3v9eA:
undetectable		 3bwyA-3v9eA:
14.46
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.
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
 1.45A 3bwyA-3x1bA:
undetectable		 3bwyA-3x1bA:
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.
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
 1.34A 3bwyA-4c2tA:
2.1		 3bwyA-4c2tA:
16.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ig7 UBIQUITIN C-TERMINAL
HYDROLASE 37

(Trichinella
spiralis) 		PF01088
(Peptidase_C12) 		5 VAL A 168
GLY A  48
TYR A 173
GLN A 225
HIS A  47
 None
 1.25A 3bwyA-4ig7A:
undetectable		 3bwyA-4ig7A:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lg9 F-BOX-LIKE/WD
REPEAT-CONTAINING
PROTEIN TBL1XR1

(Homo sapiens) 		PF00400
(WD40) 		5 VAL A 228
GLY A 247
TYR A 245
GLN A 303
HIS A 265
 None
None
None
UNX  A 604 ( 4.4A)
None
 1.37A 3bwyA-4lg9A:
undetectable		 3bwyA-4lg9A:
20.25
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.
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 3bwyA-4n03A:
2.2		 3bwyA-4n03A:
20.30
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) 		8 GLU A 107
GLY A 109
TYR A 114
ILE A 134
SER A 162
GLN A 163
HIS A 185
ARG A 189
 None
2F6  A 301 (-3.6A)
None
2F6  A 301 (-3.7A)
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
None
 0.52A 3bwyA-4p58A:
33.7		 3bwyA-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) 		7 GLU A 107
GLY A 109
TYR A 138
SER A 162
GLN A 163
HIS A 185
ARG A 189
 None
2F6  A 301 (-3.6A)
None
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
None
 1.06A 3bwyA-4p58A:
33.7		 3bwyA-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.
4u02 AMINO ACID ABC
TRANSPORTER,
ATP-BINDING PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran) 		5 MET A 211
VAL A 217
GLY A  22
HIS A  24
ARG A   8
 None
 1.48A 3bwyA-4u02A:
undetectable		 3bwyA-4u02A:
23.74
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.
5e6k POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 VAL A 240
GLY A 194
TYR A 120
ILE A 123
GLN A  90
 None
 1.38A 3bwyA-5e6kA:
undetectable		 3bwyA-5e6kA:
17.34
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.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 VAL A 240
GLY A 194
TYR A 120
ILE A 123
GLN A  90
 None
 1.42A 3bwyA-5enyA:
undetectable		 3bwyA-5enyA:
15.80
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.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		5 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
 1.26A 3bwyA-5fnuA:
undetectable		 3bwyA-5fnuA:
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.
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 3bwyA-5gqfA:
undetectable		 3bwyA-5gqfA:
17.17
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.
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
 1.42A 3bwyA-5i5hA:
2.1		 3bwyA-5i5hA:
16.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.29A 3bwyA-5jiaA:
undetectable		 3bwyA-5jiaA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jif HEMAGGLUTININ-ESTERA
SE

(Murine
coronavirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		5 GLU A 105
GLY A 106
TYR A  92
TRP A 301
ARG A 300
 None
None
None
None
NAG  A 818 (-3.7A)
 1.40A 3bwyA-5jifA:
undetectable		 3bwyA-5jifA:
17.80
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ILE A 126
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
SAM  A 301 (-4.2A)
 0.56A 3bwyA-5kvaA:
21.2		 3bwyA-5kvaA:
23.59
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.
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)
 0.71A 3bwyA-5kvaA:
21.2		 3bwyA-5kvaA:
23.59
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.
5n11 HEMAGGLUTININ-ESTERA
SE

(Betacoronavirus
1) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		5 GLU A 101
GLY A 102
TYR A  88
TRP A 292
ARG A 291
 None
None
None
None
NAG  A 511 (-3.8A)
 1.42A 3bwyA-5n11A:
undetectable		 3bwyA-5n11A:
19.89
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.
5thz CURJ

(Moorea
producens) 		no annotation 5 GLU B 203
GLY B 205
TYR B 305
ILE B 231
GLN B 263
 None
SAH  B 501 (-3.5A)
None
SAH  B 501 (-3.7A)
None
 1.43A 3bwyA-5thzB:
13.1		 3bwyA-5thzB:
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.
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 3bwyA-5x49A:
undetectable		 3bwyA-5x49A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.82A 3bwyA-5x7fA:
20.9		 3bwyA-5x7fA:
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.
5xbi PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 5 GLU A 247
TYR A 266
ILE A 228
SER A 224
HIS A 214
 81U  A 500 (-3.1A)
None
None
None
None
 1.46A 3bwyA-5xbiA:
undetectable		 3bwyA-5xbiA:
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)
 1.14A 3bwyA-6cczA:
4.1		 3bwyA-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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT F
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT G
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT C

(Pyrococcus
furiosus;
Pyrococcus
furiosus;
Pyrococcus
furiosus) 		no annotation
no annotation
no annotation 		5 GLU G  66
GLY G  64
TYR G  62
ILE B  56
GLN C  71
 None
 1.45A 3bwyA-6cfwG:
undetectable		 3bwyA-6cfwG:
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.
6fmq -

(-) 		no annotation 5 VAL A 453
GLY A 429
TYR A 490
ILE A 461
HIS A 437
 None
None
None
None
ACT  A 703 (-4.3A)
 1.28A 3bwyA-6fmqA:
undetectable		 3bwyA-6fmqA:
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
 1.46A 3bwyA-6grwA:
undetectable		 3bwyA-6grwA:
undetectable