SIMILAR PATTERNS OF AMINO ACIDS FOR 5HWA_A_GCSA302

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.
1a6c TOBACCO RINGSPOT
VIRUS CAPSID PROTEIN

(Tobacco
ringspot virus) 		PF03391
(Nepo_coat)
PF03688
(Nepo_coat_C)
PF03689
(Nepo_coat_N) 		4 THR A 136
ASP A  80
TYR A 120
GLY A 125
 None
 1.12A 5hwaA-1a6cA:
0.0		 5hwaA-1a6cA:
18.16
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.
1a6c TOBACCO RINGSPOT
VIRUS CAPSID PROTEIN

(Tobacco
ringspot virus) 		PF03391
(Nepo_coat)
PF03688
(Nepo_coat_C)
PF03689
(Nepo_coat_N) 		4 THR A 136
ASP A  80
TYR A 120
GLY A 127
 None
 0.99A 5hwaA-1a6cA:
0.0		 5hwaA-1a6cA:
18.16
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.
1a88 CHLOROPEROXIDASE L

(Streptomyces
lividans) 		PF00561
(Abhydrolase_1) 		4 THR A   5
ASP A  77
ASP A   7
GLY A  68
 None
 1.12A 5hwaA-1a88A:
0.0		 5hwaA-1a88A:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a8s CHLOROPEROXIDASE F

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 THR A   5
ASP A  75
ASP A   7
GLY A  66
 None
 1.00A 5hwaA-1a8sA:
0.0		 5hwaA-1a8sA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1buc BUTYRYL-COA
DEHYDROGENASE

(Megasphaera
elsdenii) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ASP A 192
TYR A 199
GLY A 164
TYR A  37
 None
 0.99A 5hwaA-1bucA:
2.0		 5hwaA-1bucA:
22.86
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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 ARG A 353
THR A 409
GLY A 309
TYR A 314
 None
 1.06A 5hwaA-1dedA:
0.0		 5hwaA-1dedA:
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.
1ei6 PHOSPHONOACETATE
HYDROLASE

(Pseudomonas
fluorescens) 		PF01663
(Phosphodiest) 		4 ASP A 202
ASP A 241
GLY A 243
TYR A  31
 ZN  A 409 (-2.3A)
ZN  A 408 (-2.5A)
None
None
 1.10A 5hwaA-1ei6A:
0.8		 5hwaA-1ei6A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 ASP A 447
ASP A 376
GLY A 418
TYR A 474
 None
R03  A 800 ( 4.1A)
None
None
 1.03A 5hwaA-1h39A:
0.0		 5hwaA-1h39A:
17.12
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.
1h71 SERRALYSIN

(Pseudomonas sp.
'TAC II 18') 		PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 ARG P 250
THR P 254
ASP P 282
ASP P 252
 None
CA  P 507 (-3.5A)
CA  P 507 (-2.3A)
None
 1.05A 5hwaA-1h71P:
1.4		 5hwaA-1h71P:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1igr INSULIN-LIKE GROWTH
FACTOR RECEPTOR 1

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		4 ARG A 180
THR A 177
ASP A  97
GLY A  67
 SO4  A 493 (-4.1A)
SO4  A 493 (-2.9A)
None
None
 0.97A 5hwaA-1igrA:
0.0		 5hwaA-1igrA:
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.
1im4 DBH

(Sulfolobus
solfataricus) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		4 THR A 142
ASP A   7
ASP A   9
TYR A  48
 None
SO4  A2001 ( 4.3A)
SO4  A2001 (-4.9A)
None
 0.97A 5hwaA-1im4A:
undetectable		 5hwaA-1im4A:
19.55
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.
1mq0 CYTIDINE DEAMINASE

(Homo sapiens) 		PF00383
(dCMP_cyt_deam_1) 		4 ARG A  48
THR A  44
ASP A  81
GLY A  78
 None
 1.07A 5hwaA-1mq0A:
undetectable		 5hwaA-1mq0A:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1obh LEUCYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2)
PF14795
(Leucyl-specific) 		4 THR A 127
ASP A 503
GLY A  83
TYR A  43
 None
None
None
NVA  A1816 ( 3.5A)
 0.97A 5hwaA-1obhA:
undetectable		 5hwaA-1obhA:
15.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		4 THR A 154
ASP A  95
ASP A 530
GLY A  98
 None
MRC  A1993 ( 4.7A)
None
None
 1.08A 5hwaA-1qu2A:
undetectable		 5hwaA-1qu2A:
12.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		4 ARG A 134
THR A 132
ASP A 128
GLY A 139
 None
 1.05A 5hwaA-1qzzA:
undetectable		 5hwaA-1qzzA:
21.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r2j PROTEIN FKBI

(Streptomyces
hygroscopicus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ARG A  72
THR A  61
TYR A 224
GLY A 225
 None
 1.13A 5hwaA-1r2jA:
undetectable		 5hwaA-1r2jA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rpm RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
MU

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 ASP A1113
ASP A1109
TYR A 968
GLY A 961
 None
 0.98A 5hwaA-1rpmA:
undetectable		 5hwaA-1rpmA:
21.93
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.
1wcx UROPORPHYRINOGEN III
SYNTHASE

(Thermus
thermophilus) 		PF02602
(HEM4) 		4 THR A 242
ASP A 240
TYR A 238
GLY A 251
 None
 1.01A 5hwaA-1wcxA:
undetectable		 5hwaA-1wcxA:
23.21
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.
1woy METHIONYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g) 		4 THR A  95
ASP A  50
ASP A 229
GLY A  53
 None
 0.90A 5hwaA-1woyA:
undetectable		 5hwaA-1woyA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xdp POLYPHOSPHATE KINASE

(Escherichia
coli) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		4 ASP A  92
ASP A  88
GLY A 292
TYR A 294
 None
 1.06A 5hwaA-1xdpA:
undetectable		 5hwaA-1xdpA:
17.65
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.
1y79 PEPTIDYL-DIPEPTIDASE
DCP

(Escherichia
coli) 		PF01432
(Peptidase_M3) 		4 ASP 1 495
TYR 1 612
GLY 1 610
TYR 1 280
 None
 1.00A 5hwaA-1y791:
undetectable		 5hwaA-1y791:
16.23
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.
1z6t APOPTOTIC PROTEASE
ACTIVATING FACTOR 1

(Homo sapiens) 		PF00619
(CARD)
PF00931
(NB-ARC) 		4 ASP A 439
ASP A 244
GLY A 157
TYR A 359
 None
None
ADP  A 900 (-3.4A)
None
 0.97A 5hwaA-1z6tA:
undetectable		 5hwaA-1z6tA:
17.70
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.
1zoi ESTERASE

(Pseudomonas
putida) 		PF00561
(Abhydrolase_1) 		4 THR A   6
ASP A  78
ASP A   8
GLY A  69
 None
 1.06A 5hwaA-1zoiA:
undetectable		 5hwaA-1zoiA:
21.22
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.
2ag1 BENZALDEHYDE LYASE

(Pseudomonas
fluorescens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 THR A 442
ASP A 435
GLY A  64
TYR A  60
 None
 1.09A 5hwaA-2ag1A:
undetectable		 5hwaA-2ag1A:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bfr HYPOTHETICAL PROTEIN
AF1521

(Archaeoglobus
fulgidus) 		PF01661
(Macro) 		4 THR A  22
ASP A  20
TYR A 176
TYR A  45
 ADP  A1193 ( 4.9A)
ADP  A1193 (-3.5A)
ADP  A1193 (-4.0A)
None
 1.02A 5hwaA-2bfrA:
undetectable		 5hwaA-2bfrA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwm PSATHYRELLA VELUTINA
LECTIN PVL

(Lacrymaria
velutina) 		PF13517
(VCBS) 		4 THR A 179
ASP A 181
ASP A 185
GLY A 201
 CA  A1402 (-3.1A)
CA  A1402 (-3.0A)
CA  A1402 (-2.3A)
None
 1.05A 5hwaA-2bwmA:
undetectable		 5hwaA-2bwmA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c7s RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE KAPPA

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 ASP A1101
ASP A1097
TYR A 956
GLY A 949
 None
 0.95A 5hwaA-2c7sA:
undetectable		 5hwaA-2c7sA:
18.99
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.
2csu 457AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		4 ASP A  66
TYR A  34
GLY A  37
TYR A  40
 None
 1.04A 5hwaA-2csuA:
undetectable		 5hwaA-2csuA:
21.15
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.
2ct8 METHIONYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		4 THR A  97
ASP A  52
ASP A 232
GLY A  55
 None
MSP  A 501 (-3.9A)
None
None
 0.89A 5hwaA-2ct8A:
undetectable		 5hwaA-2ct8A:
19.72
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.
2ece 462AA LONG
HYPOTHETICAL
SELENIUM-BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF05694
(SBP56) 		4 ARG A 104
THR A  35
ASP A  43
GLY A 102
 None
 1.11A 5hwaA-2eceA:
undetectable		 5hwaA-2eceA:
20.13
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.
2fkb PUTATIVE NUDIX
HYDROLASE YFCD

(Escherichia
coli) 		PF00293
(NUDIX) 		4 THR A 154
ASP A 156
TYR A  41
GLY A  73
 None
None
None
GOL  A 904 (-3.3A)
 1.10A 5hwaA-2fkbA:
undetectable		 5hwaA-2fkbA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ooq RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE T

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 ASP A1124
ASP A1120
TYR A 979
GLY A 972
 None
 0.97A 5hwaA-2ooqA:
undetectable		 5hwaA-2ooqA:
20.54
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.
2ov9 HYPOTHETICAL PROTEIN

(Rhodococcus
jostii) 		PF03061
(4HBT) 		4 ARG A 113
THR A 175
ASP A 191
GLY A 197
 None
 0.95A 5hwaA-2ov9A:
undetectable		 5hwaA-2ov9A:
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.
2q9r PROTEIN OF UNKNOWN
FUNCTION

(Shewanella
baltica) 		PF04222
(DUF416) 		4 THR A 126
ASP A  96
TYR A  89
GLY A  90
 None
None
None
BEZ  A 203 (-3.5A)
 1.06A 5hwaA-2q9rA:
2.0		 5hwaA-2q9rA:
21.24
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.
2r26 CITRATE SYNTHASE

(Thermoplasma
acidophilum) 		PF00285
(Citrate_synt) 		4 ARG A  31
THR A  22
TYR A 265
GLY A  28
 None
 1.13A 5hwaA-2r26A:
undetectable		 5hwaA-2r26A:
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.
2x1m METHIONYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF09334
(tRNA-synt_1g) 		4 THR A  95
ASP A  50
ASP A 232
GLY A  53
 None
MET  A 600 (-4.3A)
None
None
 0.81A 5hwaA-2x1mA:
undetectable		 5hwaA-2x1mA:
19.92
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.
2xtp GTPASE IMAP FAMILY
MEMBER 2

(Homo sapiens) 		PF04548
(AIG1) 		4 THR A  58
ASP A  77
ASP A  80
GLY A  34
 None
 1.10A 5hwaA-2xtpA:
undetectable		 5hwaA-2xtpA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y7i STM4351

(Salmonella
enterica) 		PF00497
(SBP_bac_3) 		4 THR A 139
ASP A  91
TYR A  33
GLY A  89
 ARG  A1245 (-3.4A)
ARG  A1245 (-3.7A)
ARG  A1245 (-3.8A)
ARG  A1245 (-4.7A)
 1.01A 5hwaA-2y7iA:
undetectable		 5hwaA-2y7iA:
22.39
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.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		4 THR A 271
ASP A 269
TYR A 201
GLY A 212
 None
 1.00A 5hwaA-2y9xA:
undetectable		 5hwaA-2y9xA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cos ALCOHOL
DEHYDROGENASE 4

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ARG A 224
THR A 200
ASP A 269
GLY A 266
 None
 1.11A 5hwaA-3cosA:
undetectable		 5hwaA-3cosA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d8n UROPORPHYRINOGEN-III
SYNTHASE

(Thermus
thermophilus) 		PF02602
(HEM4) 		4 THR A 234
ASP A 232
TYR A 230
GLY A 243
 None
 1.00A 5hwaA-3d8nA:
undetectable		 5hwaA-3d8nA:
23.53
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.
3dlt ESTERASE D

(Lactobacillus
rhamnosus) 		PF12146
(Hydrolase_4) 		4 ASP A 210
ASP A 233
TYR A 214
GLY A 183
 None
 0.94A 5hwaA-3dltA:
undetectable		 5hwaA-3dltA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h9c METHIONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF09334
(tRNA-synt_1g) 		4 THR A  97
ASP A  52
ASP A 255
GLY A  55
 None
 0.89A 5hwaA-3h9cA:
undetectable		 5hwaA-3h9cA:
19.56
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.
3hxg EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4E
EUKARYOTIC
TRANSLATION
INITIATION FACTOR
4E-BINDING PROTEIN 1

(Homo sapiens;
Schistosoma
mansoni) 		PF01652
(IF4E)
PF05456
(eIF_4EBP) 		4 ARG C   5
ASP A 132
ASP A  28
GLY A 123
 None
 1.10A 5hwaA-3hxgC:
undetectable		 5hwaA-3hxgC:
6.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hxw ALANYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF01411
(tRNA-synt_2c) 		4 THR A  88
ASP A 285
TYR A 254
GLY A  81
 None
 1.07A 5hwaA-3hxwA:
undetectable		 5hwaA-3hxwA:
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.
3ing HOMOSERINE
DEHYDROGENASE

(Thermoplasma
acidophilum) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		4 THR A  89
ASP A  87
TYR A 102
GLY A 119
 NDP  A 326 (-4.6A)
None
None
None
 0.97A 5hwaA-3ingA:
undetectable		 5hwaA-3ingA:
23.70
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.
3ipc ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (AMINO ACID)

(Agrobacterium
fabrum) 		PF13458
(Peripla_BP_6) 		4 THR A 102
ASP A 226
ASP A 121
GLY A 200
 LEU  A 500 (-3.0A)
LEU  A 500 (-3.0A)
None
None
 1.08A 5hwaA-3ipcA:
undetectable		 5hwaA-3ipcA:
19.72
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.
3jsa HOMOSERINE
DEHYDROGENASE

(Thermoplasma
volcanium) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		4 THR A  91
ASP A  89
TYR A 104
GLY A 121
 NAD  A 501 (-4.7A)
None
None
None
 1.00A 5hwaA-3jsaA:
undetectable		 5hwaA-3jsaA:
25.15
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		4 THR A 301
ASP A 256
ASP A 445
GLY A 259
 None
ME8  A 801 (-3.7A)
None
None
 0.78A 5hwaA-3kflA:
undetectable		 5hwaA-3kflA:
18.48
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.
3l6d PUTATIVE
OXIDOREDUCTASE

(Pseudomonas
putida) 		PF03446
(NAD_binding_2) 		4 THR A 101
ASP A  99
TYR A 122
GLY A 108
 None
 1.12A 5hwaA-3l6dA:
undetectable		 5hwaA-3l6dA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q3v PHOSPHOGLYCERATE
KINASE

(Campylobacter
jejuni) 		PF00162
(PGK) 		4 THR A  45
ASP A 145
GLY A 170
TYR A 142
 None
 1.07A 5hwaA-3q3vA:
undetectable		 5hwaA-3q3vA:
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.
3t02 PHOSPHONOACETATE
HYDROLASE

(Sinorhizobium
meliloti) 		PF01663
(Phosphodiest) 		4 ASP A 211
ASP A 250
GLY A 252
TYR A  35
 ZN  A 502 (-2.2A)
ZN  A 501 (-2.4A)
None
None
 1.10A 5hwaA-3t02A:
undetectable		 5hwaA-3t02A:
18.98
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.
3ufk UNDA

(Shewanella sp.
HRCR_06) 		PF13435
(Cytochrome_C554) 		4 THR A 296
ASP A 293
GLY A 321
TYR A 324
 None
CA  A 912 ( 3.1A)
None
HEC  A 902 ( 4.2A)
 0.90A 5hwaA-3ufkA:
undetectable		 5hwaA-3ufkA:
16.59
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.
3wsy SORTILIN-RELATED
RECEPTOR

(Homo sapiens) 		PF15901
(Sortilin_C)
PF15902
(Sortilin-Vps10) 		4 THR A 401
ASP A 400
GLY A 396
TYR A 391
 None
NAG  A 802 (-3.7A)
NAG  A 802 (-4.1A)
None
 1.05A 5hwaA-3wsyA:
undetectable		 5hwaA-3wsyA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a4p CYTOHESIN1

(Homo sapiens) 		PF01369
(Sec7) 		4 ARG A 157
THR A 114
ASP A 118
GLY A 160
 None
 1.03A 5hwaA-4a4pA:
undetectable		 5hwaA-4a4pA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dgq NON-HEME
CHLOROPEROXIDASE

(Burkholderia
cenocepacia) 		PF00561
(Abhydrolase_1) 		4 THR A   6
ASP A  78
ASP A   8
GLY A  69
 None
 1.10A 5hwaA-4dgqA:
undetectable		 5hwaA-4dgqA:
23.15
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.
4eg2 CYTIDINE DEAMINASE

(Vibrio cholerae) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		4 THR A  32
TYR A  63
GLY A 252
TYR A 224
 None
 0.99A 5hwaA-4eg2A:
undetectable		 5hwaA-4eg2A:
21.75
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.
4ezi UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 THR A 201
TYR A 144
GLY A 108
TYR A 127
 None
 1.10A 5hwaA-4eziA:
undetectable		 5hwaA-4eziA:
23.75
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.
4f3s PUTATIVE PERIPLASMIC
BINDING PROTEIN

(Salmonella
enterica) 		PF00497
(SBP_bac_3) 		4 THR A  79
ASP A 130
GLY A 125
TYR A 122
 None
 0.97A 5hwaA-4f3sA:
undetectable		 5hwaA-4f3sA:
20.21
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.
4fzv PUTATIVE
METHYLTRANSFERASE
NSUN4

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		4 ARG A 281
THR A 259
ASP A 261
TYR A  52
 None
 0.86A 5hwaA-4fzvA:
undetectable		 5hwaA-4fzvA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8t GLUCARATE
DEHYDRATASE

(Actinobacillus
succinogenes) 		PF13378
(MR_MLE_C) 		4 ARG A  95
THR A 289
ASP A 290
GLY A  94
 None
 1.04A 5hwaA-4g8tA:
undetectable		 5hwaA-4g8tA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gnr ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-BRANCHED
CHAIN AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF13458
(Peripla_BP_6) 		4 THR A 141
ASP A 159
TYR A 238
GLY A 237
 ILE  A 401 (-2.8A)
None
ILE  A 401 (-4.6A)
None
 1.07A 5hwaA-4gnrA:
undetectable		 5hwaA-4gnrA:
22.62
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.
4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY

(Danio rerio;
Escherichia
coli) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		4 ASP A 380
ASP A 432
GLY A  70
TYR A 100
 None
 1.02A 5hwaA-4irlA:
undetectable		 5hwaA-4irlA:
19.83
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.
4jy4 PGT121 LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP A   9
ASP A  85
TYR A  87
GLY A 100
 None
GOL  A 301 ( 4.9A)
None
None
 1.12A 5hwaA-4jy4A:
undetectable		 5hwaA-4jy4A:
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.
4ka8 OLIGOPEPTIDASE A

(Arabidopsis
thaliana) 		PF01432
(Peptidase_M3) 		4 ASP A 598
TYR A 714
GLY A 712
TYR A 374
 None
 0.99A 5hwaA-4ka8A:
undetectable		 5hwaA-4ka8A:
14.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m00 SERINE-RICH ADHESIN
FOR PLATELETS

(Staphylococcus
aureus) 		PF05345
(He_PIG) 		4 THR A 505
ASP A 503
TYR A 538
GLY A 603
 None
None
None
CA  A 802 ( 4.4A)
 1.06A 5hwaA-4m00A:
undetectable		 5hwaA-4m00A:
20.12
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.
4mjd KETOSTEROID
ISOMERASE FOLD
PROTEIN HMUK_0747

(Halomicrobium
mukohataei) 		PF12680
(SnoaL_2) 		4 ARG A  34
THR A 105
ASP A  91
TYR A  11
 None
 1.10A 5hwaA-4mjdA:
undetectable		 5hwaA-4mjdA:
15.12
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.
4p05 ARYLSULFATE
SULFOTRANSFERASE
ASST

(Escherichia
coli) 		PF05935
(Arylsulfotrans)
PF17425
(Arylsulfotran_N) 		4 ASP A 146
ASP A 172
TYR A 196
GLY A 198
 None
 1.10A 5hwaA-4p05A:
undetectable		 5hwaA-4p05A:
18.43
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.
4phc HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 ASP A 177
TYR A 336
GLY A 360
TYR A 330
 HIS  A1001 (-3.2A)
None
HIS  A1001 (-3.6A)
None
 1.00A 5hwaA-4phcA:
undetectable		 5hwaA-4phcA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pts GLUTATHIONE
S-TRANSFERASE

(Gordonia
bronchialis) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 ARG A  61
THR A 236
TYR A 245
TYR A 179
 None
 1.13A 5hwaA-4ptsA:
undetectable		 5hwaA-4ptsA:
21.10
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.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		4 THR A 129
ASP A  78
TYR A  85
GLY A  87
 None
 1.09A 5hwaA-4q0cA:
undetectable		 5hwaA-4q0cA:
17.79
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.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 4 ARG A 587
THR A 614
TYR A 720
GLY A 618
 None
 1.10A 5hwaA-4qnlA:
undetectable		 5hwaA-4qnlA:
15.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qre METHIONYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		4 THR A  96
ASP A  51
ASP A 239
GLY A  54
 None
3BG  A 601 (-2.8A)
3BG  A 601 (-4.3A)
3BG  A 601 (-3.5A)
 0.94A 5hwaA-4qreA:
undetectable		 5hwaA-4qreA:
18.46
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.
4qwp CHITOSANASE

(Pseudomonas sp.
A-01) 		PF01374
(Glyco_hydro_46) 		5 ARG A  45
THR A  55
ASP A  60
TYR A 125
GLY A 154
 GCS  A 302 (-4.0A)
GCS  A 302 ( 4.2A)
GCS  A 302 (-3.0A)
None
GCS  A 301 (-3.3A)
 0.38A 5hwaA-4qwpA:
16.9		 5hwaA-4qwpA:
26.94
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.
4qwp CHITOSANASE

(Pseudomonas sp.
A-01) 		PF01374
(Glyco_hydro_46) 		5 ARG A  45
THR A  58
ASP A  60
TYR A 125
GLY A 154
 GCS  A 302 (-4.0A)
GCS  A 302 ( 3.4A)
GCS  A 302 (-3.0A)
None
GCS  A 301 (-3.3A)
 1.40A 5hwaA-4qwpA:
16.9		 5hwaA-4qwpA:
26.94
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.
4qzv SPIKE PROTEIN S1

(Tylonycteris
bat coronavirus
HKU4) 		PF09408
(Spike_rec_bind) 		4 THR B  76
ASP B  78
TYR B 103
GLY B 155
 None
 1.12A 5hwaA-4qzvB:
undetectable		 5hwaA-4qzvB:
21.35
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.
4rsw HOPA1

(Pseudomonas
syringae) 		no annotation 4 THR A 273
ASP A 274
TYR A 149
GLY A 334
 None
 0.92A 5hwaA-4rswA:
undetectable		 5hwaA-4rswA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
fructosivorans) 		PF00374
(NiFeSe_Hases) 		4 ASP Q 511
ASP Q 335
TYR Q 333
GLY Q 378
 None
 1.13A 5hwaA-4upeQ:
1.8		 5hwaA-4upeQ:
19.05
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.
5a87 METALLO-BETA-LACTAMA
SE VIM-5

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		4 ASP A 118
ASP A  84
TYR A 195
GLY A 239
 ZN  A1265 (-2.8A)
None
None
None
 1.03A 5hwaA-5a87A:
undetectable		 5hwaA-5a87A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c5s UNCONVENTIONAL
MYOSIN-IXB

(Homo sapiens) 		PF00620
(RhoGAP) 		4 THR A 284
ASP A 288
TYR A 207
GLY A 208
 None
 1.03A 5hwaA-5c5sA:
undetectable		 5hwaA-5c5sA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dkv ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (RIBOSE)

(Agrobacterium
vitis) 		PF13407
(Peripla_BP_4) 		4 THR A 179
ASP A 121
TYR A  47
GLY A  40
 T6T  A 401 (-3.0A)
T6T  A 401 (-2.0A)
T6T  A 401 (-4.0A)
None
 1.01A 5hwaA-5dkvA:
undetectable		 5hwaA-5dkvA:
21.71
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.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		4 THR A 503
ASP A 501
GLY A 483
TYR A 442
 None
 1.05A 5hwaA-5gjeA:
undetectable		 5hwaA-5gjeA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gyq SPIKE GLYCOPROTEIN

(Rousettus bat
coronavirus
HKU9) 		PF09408
(Spike_rec_bind) 		4 THR A  67
ASP A  69
TYR A  94
GLY A 126
 None
 0.93A 5hwaA-5gyqA:
undetectable		 5hwaA-5gyqA:
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.
5gyq SPIKE GLYCOPROTEIN

(Rousettus bat
coronavirus
HKU9) 		PF09408
(Spike_rec_bind) 		4 THR A 157
ASP A  69
TYR A  94
GLY A 126
 None
 1.09A 5hwaA-5gyqA:
undetectable		 5hwaA-5gyqA:
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.
5k0t METHIONINE--TRNA
LIGASE

(Brucella suis) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		4 THR A  96
ASP A  51
ASP A 232
GLY A  54
 None
415  A 601 (-3.1A)
415  A 601 ( 4.6A)
415  A 601 (-3.5A)
 0.93A 5hwaA-5k0tA:
undetectable		 5hwaA-5k0tA:
17.69
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.
5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		4 ASP A 249
TYR A 281
GLY A 238
TYR A 240
 None
None
None
TNF  A 402 (-4.5A)
 1.09A 5hwaA-5k1uA:
undetectable		 5hwaA-5k1uA:
22.35
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.
5kte DIVALENT METAL
CATION TRANSPORTER
MNTH
FAB HEAVY CHAIN

(Deinococcus
radiodurans;
Mus musculus) 		PF01566
(Nramp)
PF07654
(C1-set)
PF07686
(V-set) 		4 THR H  30
ASP H  54
TYR A  70
GLY A 216
 None
 1.02A 5hwaA-5kteH:
undetectable		 5hwaA-5kteH:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lkd GLUTATHIONE
S-TRANSFERASE
OMEGA-LIKE 2

(Saccharomyces
cerevisiae) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 ARG A  51
THR A 292
TYR A 301
TYR A 216
 None
 1.10A 5hwaA-5lkdA:
undetectable		 5hwaA-5lkdA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mb4 GLCNAC SPECIFIC
LECTIN

(Psathyrella) 		PF13517
(VCBS) 		4 THR A  67
ASP A  69
ASP A  73
GLY A  89
 NA  A 505 (-2.9A)
NA  A 505 ( 3.0A)
NA  A 505 (-2.9A)
NA  A 506 ( 4.7A)
 1.02A 5hwaA-5mb4A:
undetectable		 5hwaA-5mb4A:
20.88
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.
5mmd METALLO-BETA-LACTAMA
SE 1

(Acinetobacter
baumannii) 		PF00753
(Lactamase_B) 		4 ASP E 120
ASP E  84
TYR E 218
GLY E 262
 ZN  E 401 (-2.5A)
None
None
None
 1.00A 5hwaA-5mmdE:
undetectable		 5hwaA-5mmdE:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nfh METHIONYL-TRNA
SYNTHETASE, PUTATIVE

(Trypanosoma
brucei) 		no annotation 4 THR A 332
ASP A 287
ASP A 476
GLY A 290
 None
MET  A 807 (-3.6A)
None
None
 0.82A 5hwaA-5nfhA:
undetectable		 5hwaA-5nfhA:
17.69
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.
5o0s GLUCOSYLCERAMIDASE

(Thermoanaerobacterium
xylanolyticum) 		PF04685
(DUF608)
PF12215
(Glyco_hydr_116N)
PF17168
(DUF5127) 		4 THR A 780
ASP A 782
TYR A 771
GLY A  56
 None
 1.09A 5hwaA-5o0sA:
undetectable		 5hwaA-5o0sA:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ttx HYDROGENASE 2
MATURATION PEPTIDASE

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF01750
(HycI) 		4 ARG A  25
ASP A  28
ASP A  43
GLY A  23
 None
 1.08A 5hwaA-5ttxA:
undetectable		 5hwaA-5ttxA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5urb METHIONINE--TRNA
LIGASE

(Acinetobacter
baumannii) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		4 THR A  94
ASP A  49
ASP A 253
GLY A  52
 None
MET  A 603 (-3.6A)
None
None
 0.84A 5hwaA-5urbA:
undetectable		 5hwaA-5urbA:
16.55
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.
5xgr SPIKE PROTEIN S1

(Pipistrellus
bat coronavirus
HKU5) 		PF09408
(Spike_rec_bind) 		4 THR A  62
ASP A  64
TYR A  89
GLY A 139
 None
 1.09A 5hwaA-5xgrA:
undetectable		 5hwaA-5xgrA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xjy ATP-BINDING CASSETTE
SUB-FAMILY A MEMBER
1

(Homo sapiens) 		PF00005
(ABC_tran)
PF12698
(ABC2_membrane_3) 		4 ARG A 579
ASP A 575
TYR A 573
GLY A 572
 None
 1.06A 5hwaA-5xjyA:
undetectable		 5hwaA-5xjyA:
7.69
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.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 4 THR A  94
ASP A  49
ASP A 230
GLY A  52
 None
ME8  A 801 (-4.1A)
None
None
 0.95A 5hwaA-6ax8A:
undetectable		 5hwaA-6ax8A:
16.74
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.
6bdt CALPAIN-3

(Homo sapiens) 		no annotation 4 THR A 409
ASP A 267
GLY A 333
TYR A 336
 None
 1.13A 5hwaA-6bdtA:
undetectable		 5hwaA-6bdtA:
14.79
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.
6f2t -

(-) 		no annotation 4 ASP A 326
ASP A 373
GLY A 375
TYR A 174
 ZN  A1003 ( 2.1A)
ZN  A1002 (-2.4A)
None
None
 1.13A 5hwaA-6f2tA:
undetectable		 5hwaA-6f2tA:
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.
6fkx ACETYL XYLAN
ESTERASE

(metagenome) 		no annotation 4 THR C  19
ASP C 255
TYR C  15
TYR C 227
 None
 1.11A 5hwaA-6fkxC:
undetectable		 5hwaA-6fkxC:
15.95