SIMILAR PATTERNS OF AMINO ACIDS FOR 3BWY_A_SAMA301

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bl5 ISOCITRATE
DEHYDROGENASE

(Escherichia
coli) 		PF00180
(Iso_dh) 		3 SER A 310
GLU A 336
ASP A 307
 None
AKG  A   1 ( 4.6A)
MG  A 418 (-3.1A)
 0.71A 3bwyA-1bl5A:
undetectable		 3bwyA-1bl5A:
19.67
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.
1c8m HUMAN RHINOVIRUS 16
COAT PROTEIN

(Rhinovirus A) 		PF00073
(Rhv) 		3 SER 2  60
GLU 2 250
ASP 2  57
 None
 0.84A 3bwyA-1c8m2:
undetectable		 3bwyA-1c8m2:
20.68
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.
1i8d RIBOFLAVIN SYNTHASE

(Escherichia
coli) 		PF00677
(Lum_binding) 		3 SER A  14
GLU A  53
ASP A  16
 None
 0.75A 3bwyA-1i8dA:
undetectable		 3bwyA-1i8dA:
23.36
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.
1jpu GLYCEROL
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00465
(Fe-ADH) 		3 SER A 243
GLU A 180
ASP A 173
 None
None
ZN  A 371 (-2.1A)
 0.74A 3bwyA-1jpuA:
3.7		 3bwyA-1jpuA:
21.73
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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		3 SER A 239
GLU A 176
ASP A 169
 CL  A 501 (-3.6A)
None
ZN  A 401 (-2.4A)
 0.63A 3bwyA-1kq3A:
undetectable		 3bwyA-1kq3A:
20.48
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.
1lvg GUANYLATE KINASE

(Mus musculus) 		PF00625
(Guanylate_kin) 		3 SER A  10
GLU A 157
ASP A 103
 None
None
5GP  A1202 (-3.8A)
 0.81A 3bwyA-1lvgA:
undetectable		 3bwyA-1lvgA:
23.01
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.
1lwd ISOCITRATE
DEHYDROGENASE

(Sus scrofa) 		PF00180
(Iso_dh) 		3 SER A 278
GLU A 306
ASP A 275
 None
ICT  A 701 ( 4.2A)
MN  A 501 (-2.8A)
 0.64A 3bwyA-1lwdA:
2.7		 3bwyA-1lwdA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r03 MITOCHONDRIAL
FERRITIN

(Homo sapiens) 		PF00210
(Ferritin) 		3 SER A  36
GLU A  89
ASP A  91
 None
 0.77A 3bwyA-1r03A:
undetectable		 3bwyA-1r03A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		3 SER A1412
GLU A1136
ASP A 918
 None
 0.67A 3bwyA-1tllA:
5.7		 3bwyA-1tllA:
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.
1tvc METHANE
MONOOXYGENASE
COMPONENT C

(Methylococcus
capsulatus) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		3 SER A 248
GLU A 160
ASP A 189
 None
FDA  A 252 (-3.2A)
FDA  A 252 ( 4.2A)
 0.84A 3bwyA-1tvcA:
4.2		 3bwyA-1tvcA:
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		3 SER A 327
GLU A 266
ASP A 283
 None
 0.79A 3bwyA-1ua7A:
undetectable		 3bwyA-1ua7A:
19.86
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.
1vlu GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Saccharomyces
cerevisiae) 		PF00171
(Aldedh) 		3 SER A   2
GLU A 197
ASP A 191
 None
 0.85A 3bwyA-1vluA:
4.2		 3bwyA-1vluA:
18.04
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.
1xkn PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE

(Chlorobaculum
tepidum) 		PF04371
(PAD_porph) 		3 SER A  48
GLU A  81
ASP A  74
 None
 0.81A 3bwyA-1xknA:
undetectable		 3bwyA-1xknA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z3i SIMILAR TO
RAD54-LIKE

(Danio rerio) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		3 SER X 144
GLU X 108
ASP X 140
 None
 0.85A 3bwyA-1z3iX:
3.7		 3bwyA-1z3iX:
15.79
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.
1zxq INTERCELLULAR
ADHESION MOLECULE-2

(Homo sapiens) 		PF03921
(ICAM_N) 		3 SER A 153
GLU A 130
ASP A 156
 None
 0.76A 3bwyA-1zxqA:
undetectable		 3bwyA-1zxqA:
21.30
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.
2a3n PUTATIVE
GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF01380
(SIS) 		3 SER A  98
GLU A 105
ASP A 102
 None
 0.67A 3bwyA-2a3nA:
undetectable		 3bwyA-2a3nA:
21.51
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.
2avd CATECHOL-O-METHYLTRA
NSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		3 SER A 116
GLU A 134
ASP A 185
 SAM  A 501 (-3.0A)
SAM  A 501 (-2.9A)
SAM  A 501 (-3.4A)
 0.20A 3bwyA-2avdA:
21.0		 3bwyA-2avdA:
22.98
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.
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) 		3 SER A 797
GLU A 767
ASP A 597
 None
 0.84A 3bwyA-2b39A:
undetectable		 3bwyA-2b39A:
8.64
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.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 SER A 256
GLU A 427
ASP A 237
 None
None
LFR  A1481 (-3.0A)
 0.75A 3bwyA-2cgjA:
undetectable		 3bwyA-2cgjA:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		3 SER A   2
GLU A 371
ASP A 345
 None
 0.85A 3bwyA-2gahA:
undetectable		 3bwyA-2gahA:
13.70
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.
2o2v DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 5
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 3

(Homo sapiens;
Homo sapiens) 		PF00564
(PB1)
PF00564
(PB1) 		3 SER B 115
GLU B  50
ASP A  66
 None
 0.67A 3bwyA-2o2vB:
undetectable		 3bwyA-2o2vB:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ojh UNCHARACTERIZED
PROTEIN
ATU1656/AGR_C_3050

(Agrobacterium
fabrum) 		PF07676
(PD40) 		3 SER A 274
GLU A  43
ASP A  87
 None
 0.77A 3bwyA-2ojhA:
undetectable		 3bwyA-2ojhA:
21.00
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.
2oo3 PROTEIN INVOLVED IN
CATABOLISM OF
EXTERNAL DNA

(Legionella
pneumophila) 		PF04378
(RsmJ) 		3 SER A 101
GLU A 119
ASP A 165
 None
 0.27A 3bwyA-2oo3A:
11.7		 3bwyA-2oo3A:
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.
2pqf POLY [ADP-RIBOSE]
POLYMERASE 12

(Homo sapiens) 		PF00644
(PARP) 		3 SER A 595
GLU A 665
ASP A 580
 CIT  A 801 ( 4.9A)
None
None
 0.86A 3bwyA-2pqfA:
undetectable		 3bwyA-2pqfA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qa2 POLYKETIDE OXYGENASE
CABE

(Streptomyces) 		PF01494
(FAD_binding_3) 		3 SER A 291
GLU A 100
ASP A 275
 FAD  A 500 ( 3.8A)
FAD  A 500 ( 4.9A)
FAD  A 500 (-3.1A)
 0.73A 3bwyA-2qa2A:
2.8		 3bwyA-2qa2A:
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.
2ral SERINE-ASPARTATE
REPEAT-CONTAINING
PROTEIN G

(Staphylococcus
epidermidis) 		PF10425
(SdrG_C_C) 		3 SER A 535
GLU A 510
ASP A 493
 None
 0.83A 3bwyA-2ralA:
undetectable		 3bwyA-2ralA:
18.34
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.
2wnp FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		3 SER F 100
GLU F 291
ASP F 120
 None
 0.78A 3bwyA-2wnpF:
undetectable		 3bwyA-2wnpF:
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		3 SER A 723
GLU A 667
ASP A 398
 None
 0.83A 3bwyA-2yd0A:
undetectable		 3bwyA-2yd0A:
13.86
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.
3a45 FORMAMIDOPYRIMIDINE-
DNA GLYCOSYLASE

(Acanthamoeba
polyphaga
mimivirus) 		PF01149
(Fapy_DNA_glyco)
PF06831
(H2TH) 		3 SER A 101
GLU A  92
ASP A  27
 None
 0.81A 3bwyA-3a45A:
undetectable		 3bwyA-3a45A:
20.46
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.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688

(Pyrococcus
horikoshii) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		3 SER A 210
GLU A 222
ASP A 115
 None
 0.86A 3bwyA-3abiA:
6.9		 3bwyA-3abiA:
20.05
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) 		3 SER A  72
GLU A  90
ASP A 141
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
 0.13A 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.
3cvo METHYLTRANSFERASE-LI
KE PROTEIN OF
UNKNOWN FUNCTION

(Ruegeria
pomeroyi) 		no annotation 3 SER A  41
GLU A  57
ASP A 128
 None
 0.26A 3bwyA-3cvoA:
13.3		 3bwyA-3cvoA:
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.
3egc PUTATIVE RIBOSE
OPERON REPRESSOR

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		3 SER A 279
GLU A 258
ASP A 281
 None
 0.77A 3bwyA-3egcA:
5.2		 3bwyA-3egcA:
22.41
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.
3h2x TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 22

(Homo sapiens) 		PF00102
(Y_phosphatase) 		3 SER A 201
GLU A 280
ASP A 197
 None
 0.74A 3bwyA-3h2xA:
undetectable		 3bwyA-3h2xA:
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		3 SER A 211
GLU A 289
ASP A 284
 None
 0.71A 3bwyA-3iv0A:
undetectable		 3bwyA-3iv0A:
16.32
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.
3le1 PHOSPHOTRANSFERASE
SYSTEM, HPR-RELATED
PROTEINS

(Caldanaerobacter
subterraneus) 		PF00381
(PTS-HPr) 		3 SER A  31
GLU A  72
ASP A  68
 None
 0.65A 3bwyA-3le1A:
undetectable		 3bwyA-3le1A:
15.94
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.
3lqz HLA CLASS II
HISTOCOMPATIBILITY
ANTIGEN, DP ALPHA 1
CHAIN

(Homo sapiens) 		PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		3 SER A 144
GLU A  88
ASP A  85
 None
 0.84A 3bwyA-3lqzA:
undetectable		 3bwyA-3lqzA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE

(Mus musculus) 		PF00405
(Transferrin) 		3 SER A 626
GLU A 551
ASP A 630
 None
 0.86A 3bwyA-3mc2A:
undetectable		 3bwyA-3mc2A:
16.34
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.
3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum) 		PF00374
(NiFeSe_Hases) 		3 SER B1385
GLU B1527
ASP B1518
 None
 0.79A 3bwyA-3myrB:
undetectable		 3bwyA-3myrB:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oa2 WBPB

(Pseudomonas
aeruginosa) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 SER A 178
GLU A 210
ASP A 174
 None
 0.84A 3bwyA-3oa2A:
4.7		 3bwyA-3oa2A:
22.15
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		3 SER A 270
GLU A 334
ASP A 265
 None
 0.71A 3bwyA-3pgbA:
undetectable		 3bwyA-3pgbA:
14.05
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.
3qml NUCLEOTIDE EXCHANGE
FACTOR SIL1

(Saccharomyces
cerevisiae) 		PF16782
(SIL1) 		3 SER C 139
GLU C 132
ASP C 147
 None
 0.84A 3bwyA-3qmlC:
undetectable		 3bwyA-3qmlC:
21.36
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.
3rst SIGNAL PEPTIDE
PEPTIDASE SPPA

(Bacillus
subtilis) 		PF01343
(Peptidase_S49) 		3 SER A 205
GLU A 191
ASP A 200
 None
 0.84A 3bwyA-3rstA:
2.3		 3bwyA-3rstA:
20.62
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.
3tmg GLYCINE BETAINE,
L-PROLINE ABC
TRANSPORTER,
GLYCINE/BETAINE/L-PR
OLINE-BINDING
PROTEIN (PROX)

(Borreliella
burgdorferi) 		PF04069
(OpuAC) 		3 SER A  81
GLU A  92
ASP A 100
 None
 0.82A 3bwyA-3tmgA:
undetectable		 3bwyA-3tmgA:
24.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		3 SER A 265
GLU A 200
ASP A 193
 None
None
ZN  A 388 (-2.2A)
 0.78A 3bwyA-3uhjA:
3.9		 3bwyA-3uhjA:
22.74
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.
3us8 ISOCITRATE
DEHYDROGENASE [NADP]

(Sinorhizobium
meliloti) 		PF00180
(Iso_dh) 		3 SER A 276
GLU A 304
ASP A 273
 None
 0.75A 3bwyA-3us8A:
2.4		 3bwyA-3us8A:
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.
3w5f BETA-GALACTOSIDASE

(Solanum
lycopersicum) 		PF01301
(Glyco_hydro_35) 		3 SER A 542
GLU A 456
ASP A 463
 None
 0.81A 3bwyA-3w5fA:
undetectable		 3bwyA-3w5fA:
14.67
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		3 SER A 566
GLU A 240
ASP A 224
 None
 0.86A 3bwyA-3w6qA:
undetectable		 3bwyA-3w6qA:
15.48
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.
3x1l CMR4

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		3 SER C  15
GLU C 260
ASP C 288
 None
 0.77A 3bwyA-3x1lC:
undetectable		 3bwyA-3x1lC:
23.69
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.
4ag4 EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF00754
(F5_F8_type_C) 		3 SER A  54
GLU A 113
ASP A  70
 None
 0.83A 3bwyA-4ag4A:
undetectable		 3bwyA-4ag4A:
21.12
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.
4aov ISOCITRATE
DEHYDROGENASE [NADP]

(Desulfotalea
psychrophila) 		PF00180
(Iso_dh) 		3 SER A 275
GLU A 302
ASP A 272
 None
ICT  A1404 ( 4.3A)
MG  A1405 ( 2.8A)
 0.70A 3bwyA-4aovA:
undetectable		 3bwyA-4aovA:
20.30
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.
4bl3 PENICILLIN BINDING
PROTEIN 2 PRIME

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		3 SER A 476
GLU A 523
ASP A 509
 None
 0.84A 3bwyA-4bl3A:
undetectable		 3bwyA-4bl3A:
15.70
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.
4blu RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J

(Escherichia
coli) 		PF04378
(RsmJ) 		3 SER A 100
GLU A 118
ASP A 164
 None
None
TRS  A1281 ( 3.0A)
 0.81A 3bwyA-4bluA:
12.1		 3bwyA-4bluA:
22.60
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.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		3 SER A 244
GLU A 610
ASP A 583
 None
 0.74A 3bwyA-4cgtA:
undetectable		 3bwyA-4cgtA:
14.24
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.
4ds2 UBIQUITIN-CONJUGATIN
G ENZYME E2,
PUTATIVE

(Trypanosoma
cruzi) 		PF00179
(UQ_con) 		3 SER A 117
GLU A  18
ASP A  12
 None
 0.77A 3bwyA-4ds2A:
undetectable		 3bwyA-4ds2A:
25.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dx3 MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME FAMILY
PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 SER A 329
GLU A 343
ASP A 291
 None
SNN  A 319 ( 3.8A)
None
 0.84A 3bwyA-4dx3A:
undetectable		 3bwyA-4dx3A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fx5 VON WILLEBRAND
FACTOR TYPE A

(Catenulispora
acidiphila) 		PF13768
(VWA_3) 		3 SER A  65
GLU A 168
ASP A 196
 NA  A 501 (-2.2A)
None
None
 0.77A 3bwyA-4fx5A:
undetectable		 3bwyA-4fx5A:
18.06
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.
4hum PROTEIN B

(Escherichia
coli) 		PF00041
(fn3) 		3 SER B  55
GLU B   9
ASP B  23
 None
 0.71A 3bwyA-4humB:
undetectable		 3bwyA-4humB:
17.77
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.
4hym TOPOISOMERASE IV,
SUBUNIT B

(Francisella
tularensis) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		3 SER A 265
GLU A 334
ASP A 275
 None
 0.86A 3bwyA-4hymA:
undetectable		 3bwyA-4hymA:
20.32
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.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 SER A 272
GLU A 352
ASP A 250
 None
FMT  A 503 (-3.2A)
MG  A 501 ( 4.8A)
 0.75A 3bwyA-4ihcA:
undetectable		 3bwyA-4ihcA:
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.
4j0k TANNASE

(Lactobacillus
plantarum) 		no annotation 3 SER A 163
GLU A 357
ASP A 421
 EGR  A 501 (-2.6A)
EGR  A 501 (-2.9A)
EGR  A 501 (-3.5A)
 0.76A 3bwyA-4j0kA:
2.2		 3bwyA-4j0kA:
18.32
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.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		3 SER A 244
GLU A 613
ASP A 586
 None
 0.83A 3bwyA-4jclA:
undetectable		 3bwyA-4jclA:
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.
4je5 AROMATIC/AMINOADIPAT
E AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		3 SER A 169
GLU A 162
ASP A 248
 None
None
PLP  A 601 (-2.8A)
 0.81A 3bwyA-4je5A:
4.9		 3bwyA-4je5A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kem MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azospirillum
lipoferum) 		PF13378
(MR_MLE_C) 		3 SER A 327
GLU A 340
ASP A 291
 None
AKR  A 405 (-2.7A)
None
 0.85A 3bwyA-4kemA:
undetectable		 3bwyA-4kemA:
20.31
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.
4kr8 OUTER MEMBRANE
PROTEIN F

(Salmonella
enterica) 		PF00267
(Porin_1) 		3 SER A  73
GLU A  69
ASP A  64
 None
 0.79A 3bwyA-4kr8A:
undetectable		 3bwyA-4kr8A:
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.
4kwb SIGNAL PEPTIDE
PEPTIDASE SPPA

(Bacillus
subtilis) 		PF01343
(Peptidase_S49) 		3 SER A 205
GLU A 191
ASP A 200
 None
 0.85A 3bwyA-4kwbA:
undetectable		 3bwyA-4kwbA:
21.30
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.
4n4r LPS-ASSEMBLY PROTEIN
LPTD

(Salmonella
enterica) 		PF04453
(OstA_C) 		3 SER A 692
GLU A 773
ASP A 651
 None
 0.54A 3bwyA-4n4rA:
undetectable		 3bwyA-4n4rA:
14.32
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.
4oh1 L-IDITOL
2-DEHYDROGENASE

([Clostridium]
scindens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 SER A 224
GLU A 246
ASP A 204
 None
 0.83A 3bwyA-4oh1A:
3.9		 3bwyA-4oh1A:
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.
4p47 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ochrobactrum
anthropi) 		PF03480
(DctP) 		3 SER A 177
GLU A 212
ASP A 109
 None
 0.70A 3bwyA-4p47A:
undetectable		 3bwyA-4p47A:
19.32
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) 		3 SER A 115
GLU A 133
ASP A 184
 None
2F6  A 301 (-2.7A)
None
 0.81A 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.
4pav GLYOXALASE FAMILY
PROTEIN

(Staphylococcus
aureus) 		PF00903
(Glyoxalase) 		3 SER A  17
GLU A  52
ASP A 116
 None
 0.86A 3bwyA-4pavA:
undetectable		 3bwyA-4pavA:
19.53
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		3 SER A  70
GLU A  88
ASP A 136
 SAM  A 301 (-2.9A)
SAM  A 301 (-2.6A)
MN  A 303 ( 2.7A)
 0.16A 3bwyA-4pclA:
22.7		 3bwyA-4pclA:
24.05
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.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 3 SER A 569
GLU A 704
ASP A 669
 None
 0.77A 3bwyA-4qnlA:
undetectable		 3bwyA-4qnlA:
13.03
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.
4xeq TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
vulgaris) 		PF03480
(DctP) 		3 SER A 185
GLU A 219
ASP A 117
 None
 0.69A 3bwyA-4xeqA:
undetectable		 3bwyA-4xeqA:
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.
4xk8 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pisum sativum) 		PF02605
(PsaL) 		3 SER L 109
GLU L 122
ASP L 124
 None
 0.85A 3bwyA-4xk8L:
undetectable		 3bwyA-4xk8L:
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.
4y1p 3-ISOPROPYLMALATE
DEHYDROGENASE

(Sulfolobus
acidocaldarius) 		PF00180
(Iso_dh) 		3 SER A 228
GLU A 254
ASP A 225
 None
IPM  A 402 ( 4.5A)
MG  A 401 ( 2.7A)
 0.63A 3bwyA-4y1pA:
undetectable		 3bwyA-4y1pA:
20.71
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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		3 SER A 320
GLU A 556
ASP A 411
 ADP  A 701 ( 2.4A)
None
MG  A 702 ( 4.2A)
 0.79A 3bwyA-4yj1A:
undetectable		 3bwyA-4yj1A:
17.36
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		3 SER A  79
GLU A  98
ASP A 144
 SAM  A1001 (-2.7A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.6A)
 0.10A 3bwyA-4ymgA:
20.9		 3bwyA-4ymgA:
26.10
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.
4zht BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE

(Homo sapiens) 		PF02350
(Epimerase_2) 		3 SER A 229
GLU A  81
ASP A 225
 None
 0.82A 3bwyA-4zhtA:
2.4		 3bwyA-4zhtA:
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		3 SER A1323
GLU A 995
ASP A 987
 None
 0.73A 3bwyA-5a22A:
11.1		 3bwyA-5a22A:
8.04
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.
5aoy ENDONUCLEASE V

(Mus musculus) 		PF04493
(Endonuclease_5) 		3 SER A 243
GLU A 100
ASP A 126
 None
 0.81A 3bwyA-5aoyA:
undetectable		 3bwyA-5aoyA:
22.90
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.
5gt5 PECTATE LYASE

(Paenibacillus
sp. 0602) 		no annotation 3 SER A 122
GLU A 157
ASP A  97
 None
 0.79A 3bwyA-5gt5A:
undetectable		 3bwyA-5gt5A:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hn4 HOMOISOCITRATE
DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00180
(Iso_dh) 		3 SER A 221
GLU A 247
ASP A 218
 None
48Y  A 401 ( 4.6A)
MN  A 402 ( 2.5A)
 0.62A 3bwyA-5hn4A:
undetectable		 3bwyA-5hn4A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5icu COPC

(Methylosinus
trichosporium) 		PF04234
(CopC) 		3 SER A  24
GLU A  53
ASP A 105
 None
None
CU  A 201 (-2.5A)
 0.84A 3bwyA-5icuA:
undetectable		 3bwyA-5icuA:
20.20
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.
5ixm LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Yersinia
pestis;
Yersinia pestis) 		PF04453
(OstA_C)
PF04390
(LptE) 		3 SER A 322
GLU B 121
ASP A 304
 None
 0.83A 3bwyA-5ixmA:
undetectable		 3bwyA-5ixmA:
14.76
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.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		3 SER A 662
GLU A 708
ASP A 640
 None
 0.81A 3bwyA-5j44A:
undetectable		 3bwyA-5j44A:
11.66
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		3 SER A 684
GLU A  58
ASP A 688
 None
NAG  A 901 (-4.9A)
None
 0.83A 3bwyA-5ju6A:
undetectable		 3bwyA-5ju6A:
13.54
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.
5k5t EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		3 SER A 591
GLU A 567
ASP A 570
 None
 0.76A 3bwyA-5k5tA:
3.4		 3bwyA-5k5tA:
16.94
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) 		3 SER A  71
GLU A  89
ASP A 139
 SAM  A 306 (-2.2A)
SAM  A 306 (-2.4A)
SAM  A 306 (-2.3A)
 0.20A 3bwyA-5n5dA:
22.8		 3bwyA-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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae) 		no annotation 3 SER B 274
GLU B 307
ASP B 345
 None
NGT  B 707 (-3.7A)
NGT  B 707 (-3.9A)
 0.80A 3bwyA-5oarB:
undetectable		 3bwyA-5oarB:
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.
5t09 TYPE III SECRETION
SYSTEM EFFECTOR
HOPBA1

(Pseudomonas
syringae) 		no annotation 3 SER A 124
GLU A 109
ASP A 121
 None
 0.84A 3bwyA-5t09A:
undetectable		 3bwyA-5t09A:
20.93
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.
5v4n ALPHA3(135-145)-HLA-
DRB1*01:01

(Homo sapiens) 		PF00969
(MHC_II_beta)
PF07654
(C1-set) 		3 SER C 286
GLU C 277
ASP C 306
 None
 0.86A 3bwyA-5v4nC:
undetectable		 3bwyA-5v4nC:
19.13
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.
5wpn FERRITIN

(Chaetopterus
variopedatus) 		no annotation 3 SER A  33
GLU A  86
ASP A  88
 None
 0.84A 3bwyA-5wpnA:
undetectable		 3bwyA-5wpnA:
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.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 3 SER A  70
GLU A 166
ASP A 256
 None
ZN  A 402 ( 2.4A)
None
 0.85A 3bwyA-5xgwA:
undetectable		 3bwyA-5xgwA:
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.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		3 SER A 241
GLU A 178
ASP A 171
 None
None
ZN  A 401 (-2.3A)
 0.72A 3bwyA-5xn8A:
3.6		 3bwyA-5xn8A:
20.75
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.
5xwy A TYPE VI-A
CRISPR-CAS
RNA-GUIDED RNA
RIBONUCLEASE, CAS13A

(Leptotrichia
buccalis) 		no annotation 3 SER A 265
GLU A 297
ASP A 236
 None
A  B  12 ( 2.6A)
U  B  16 ( 3.8A)
 0.68A 3bwyA-5xwyA:
undetectable		 3bwyA-5xwyA:
10.41
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 3 SER A 587
GLU A 610
ASP A 602
 None
 0.76A 3bwyA-5ydjA:
undetectable		 3bwyA-5ydjA:
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 3 SER A  68
GLU A  85
ASP A 133
 SAM  A 302 (-2.7A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.6A)
 0.18A 3bwyA-5zw4A:
22.3		 3bwyA-5zw4A:
29.88
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.
6bk8 PRE-MRNA-SPLICING
FACTOR SYF1

(Saccharomyces
cerevisiae) 		no annotation 3 SER U 783
GLU U 743
ASP U 750
 None
 0.55A 3bwyA-6bk8U:
undetectable		 3bwyA-6bk8U:
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.
6em0 2-HYDROXYBIPHENYL-3-
MONOOXYGENASE

(Pseudomonas
nitroreducens) 		no annotation 3 SER A 329
GLU A 124
ASP A 313
 FAD  A 601 ( 3.8A)
FAD  A 601 ( 4.8A)
FAD  A 601 (-3.1A)
 0.71A 3bwyA-6em0A:
3.8		 3bwyA-6em0A:
undetectable