SIMILAR PATTERNS OF AMINO ACIDS FOR 1HXW_B_RITB301_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 GLY A 353
GLY A 414
ILE A 415
PRO A 391
ILE A 355
 None
 1.10A 1hxwA-1b0kA:
undetectable		 1hxwA-1b0kA:
9.51
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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 238
GLY A 109
ILE A 108
VAL A 355
ILE A 352
 None
 1.07A 1hxwA-1e5mA:
undetectable		 1hxwA-1e5mA:
13.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ASP A  29
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 1.00A 1hxwA-1hvcA:
14.3		 1hxwA-1hvcA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ASP A  29
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.78A 1hxwA-1hvcA:
14.3		 1hxwA-1hvcA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.51A 1hxwA-1hvcA:
14.3		 1hxwA-1hvcA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.43A 1hxwA-1hvcA:
14.3		 1hxwA-1hvcA:
98.99
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.
1kcx DIHYDROPYRIMIDINASE
RELATED PROTEIN-1

(Mus musculus) 		PF01979
(Amidohydro_1) 		5 ASP A 406
GLY A  68
ILE A  66
VAL A  35
ILE A  42
 None
 1.07A 1hxwA-1kcxA:
undetectable		 1hxwA-1kcxA:
11.63
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.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		5 GLY A 288
ASP A 261
GLY A 235
VAL A 247
ILE A 238
 None
TAD  A 901 (-2.3A)
None
None
None
 0.95A 1hxwA-1lrtA:
undetectable		 1hxwA-1lrtA:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 GLY A 288
ASP A 261
GLY A 235
VAL A 247
ILE A 238
 None
NAD  A 987 (-2.5A)
None
None
None
 0.88A 1hxwA-1mewA:
undetectable		 1hxwA-1mewA:
12.20
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.
1php 3-PHOSPHOGLYCERATE
KINASE

(Geobacillus
stearothermophilus) 		PF00162
(PGK) 		5 GLY A 350
ASP A 352
GLY A 194
ILE A 193
ILE A 348
 ADP  A 396 (-3.6A)
MG  A 395 ( 3.0A)
None
None
None
 1.09A 1hxwA-1phpA:
undetectable		 1hxwA-1phpA:
15.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ASP A  29
ASP A  30
ILE A  84
 None
 0.65A 1hxwA-1q9pA:
10.2		 1hxwA-1q9pA:
93.68
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.
1s5t DIHYDRODIPICOLINATE
SYNTHASE

(Escherichia
coli) 		PF00701
(DHDPS) 		5 GLY A 201
GLY A 159
ILE A 160
VAL A  40
ILE A   6
 None
 1.13A 1hxwA-1s5tA:
undetectable		 1hxwA-1s5tA:
15.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.33A 1hxwA-1sivA:
18.7		 1hxwA-1sivA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
GLY A  48
PRO A  81
ILE A  84
 None
 0.75A 1hxwA-1sivA:
18.7		 1hxwA-1sivA:
50.51
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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 ASP A 664
GLY A 692
ILE A 693
VAL A 687
ILE A 661
 None
 1.01A 1hxwA-1u1hA:
undetectable		 1hxwA-1u1hA:
7.98
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.
1w3f HEMOLYTIC LECTIN
FROM LAETIPORUS
SULPHUREUS

(Laetiporus
sulphureus) 		PF03318
(ETX_MTX2) 		5 GLY A 241
GLY A 296
ILE A 297
PRO A 221
VAL A 220
 None
 0.95A 1hxwA-1w3fA:
undetectable		 1hxwA-1w3fA:
15.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x7h PUTATIVE KETOACYL
REDUCTASE

(Streptomyces
coelicolor) 		PF00106
(adh_short) 		5 GLY A 117
ASP A  63
GLY A  13
VAL A  74
ILE A  70
 None
NDP  A 301 (-3.7A)
NDP  A 301 (-3.3A)
None
None
 1.00A 1hxwA-1x7hA:
undetectable		 1hxwA-1x7hA:
19.54
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 539
ASP A 537
GLY A 529
PRO A 475
VAL A 474
 None
 1.02A 1hxwA-1yr2A:
undetectable		 1hxwA-1yr2A:
8.88
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 497
ASP A 495
GLY A 487
PRO A 431
VAL A 430
 None
 1.03A 1hxwA-2bklA:
undetectable		 1hxwA-2bklA:
10.04
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.
2c1z UDP-GLUCOSE
FLAVONOID 3-O
GLYCOSYLTRANSFERASE

(Vitis vinifera) 		PF00201
(UDPGT) 		5 GLY A 363
GLY A 415
ILE A 409
VAL A 382
ILE A 388
 None
 1.03A 1hxwA-2c1zA:
undetectable		 1hxwA-2c1zA:
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.
2dw6 BLL6730 PROTEIN

(Bradyrhizobium
japonicum) 		PF13378
(MR_MLE_C) 		5 GLY A 352
GLY A 373
ILE A 372
VAL A 148
ILE A 364
 None
 1.06A 1hxwA-2dw6A:
undetectable		 1hxwA-2dw6A:
13.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ASP A  29
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.44A 1hxwA-2fmbA:
15.1		 1hxwA-2fmbA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
GLY A  54
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.6A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.71A 1hxwA-2fmbA:
15.1		 1hxwA-2fmbA:
31.73
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.
2gzl 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF02542
(YgbB) 		5 GLY A  37
ASP A   8
GLY A 145
PRO A 103
ILE A  20
 None
ZN  A 900 ( 2.4A)
None
None
None
 0.99A 1hxwA-2gzlA:
undetectable		 1hxwA-2gzlA:
20.73
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.
2hdn ELONGATION FACTOR
EF-TU

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY B 316
ASP B 314
GLY B 353
ILE B 310
ILE B  60
 None
 1.09A 1hxwA-2hdnB:
undetectable		 1hxwA-2hdnB:
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.
2l3o INTERLEUKIN 3

(Mus musculus) 		PF02059
(IL3) 		5 ASP A 125
ASP A 123
GLY A  86
VAL A 119
ILE A 121
 None
 1.11A 1hxwA-2l3oA:
undetectable		 1hxwA-2l3oA:
23.08
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		5 GLY A  63
ASP A  67
ILE A  85
VAL A 106
ILE A 113
 None
 1.10A 1hxwA-2o5pA:
undetectable		 1hxwA-2o5pA:
8.51
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.
2odl ADHESIN

(Haemophilus
influenzae) 		PF05860
(Haemagg_act) 		5 GLY A 354
ASP A 356
GLY A 422
VAL A 418
ILE A 391
 None
 1.12A 1hxwA-2odlA:
undetectable		 1hxwA-2odlA:
13.90
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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 355
GLY A  49
ILE A 305
PRO A 272
ILE A 278
 None
 1.08A 1hxwA-2pgwA:
undetectable		 1hxwA-2pgwA:
15.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.96A 1hxwA-2rkfA:
20.9		 1hxwA-2rkfA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ASP A  30
GLY A  49
ILE A  50
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.99A 1hxwA-2rkfA:
20.9		 1hxwA-2rkfA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.42A 1hxwA-2rkfA:
20.9		 1hxwA-2rkfA:
86.87
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.
2vsm HEMAGGLUTININ-NEURAM
INIDASE

(Nipah
henipavirus) 		PF00423
(HN) 		5 GLY A 523
ASP A 510
ILE A 520
VAL A 484
ILE A 485
 None
 1.06A 1hxwA-2vsmA:
undetectable		 1hxwA-2vsmA:
14.29
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.80A 1hxwA-2y23A:
undetectable		 1hxwA-2y23A:
17.08
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.
2y89 PHOSPHORIBOSYL
ISOMERASE A

(Mycobacterium
tuberculosis) 		PF00977
(His_biosynth) 		5 ASP A 171
GLY A 176
ASP A 184
GLY A 136
ILE A 134
 None
 1.04A 1hxwA-2y89A:
undetectable		 1hxwA-2y89A:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		5 GLY A 257
GLY A 368
PRO A  73
VAL A  72
ILE A  70
 None
 1.00A 1hxwA-3b1bA:
undetectable		 1hxwA-3b1bA:
13.92
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 GLY A 502
ASP A   3
GLY A 521
VAL A 529
ILE A 517
 None
 1.12A 1hxwA-3bmwA:
undetectable		 1hxwA-3bmwA:
10.66
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.
3c26 PUTATIVE
ACETYLTRANSFERASE
TA0821

(Thermoplasma
acidophilum) 		PF00583
(Acetyltransf_1) 		5 ASP A  45
GLY A  87
ILE A  74
VAL A  56
ILE A  52
 NO3  A 266 (-3.1A)
EDO  A 269 (-3.4A)
None
None
None
 1.04A 1hxwA-3c26A:
undetectable		 1hxwA-3c26A:
19.30
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.
3d8b FIDGETIN-LIKE
PROTEIN 1

(Homo sapiens) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 GLY A 543
ILE A 539
PRO A 433
VAL A 417
ILE A 437
 None
 1.09A 1hxwA-3d8bA:
undetectable		 1hxwA-3d8bA:
16.92
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.
3dfy MUCONATE
CYCLOISOMERASE

(Thermotoga
maritima) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 188
GLY A 291
ILE A 290
VAL A 157
ILE A 186
 MG  A 401 (-2.7A)
None
None
None
None
 0.84A 1hxwA-3dfyA:
undetectable		 1hxwA-3dfyA:
16.61
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.
3f6m 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF02542
(YgbB) 		5 GLY A  39
ASP A   8
GLY A 147
PRO A 105
ILE A  22
 None
 1.04A 1hxwA-3f6mA:
undetectable		 1hxwA-3f6mA:
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.
3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		5 ASP A 369
GLY A 368
ASP A 373
PRO A 391
ILE A 375
 CA  A 809 ( 4.9A)
CA  A 809 ( 4.4A)
None
CA  A 812 (-4.7A)
None
 0.99A 1hxwA-3fbyA:
undetectable		 1hxwA-3fbyA:
9.54
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.
3gla LOW MOLECULAR WEIGHT
HEAT SHOCK PROTEIN

(Xanthomonas
citri) 		PF00011
(HSP20) 		5 ASP A 118
ASP A 116
GLY A  76
ILE A  77
ILE A 133
 None
 1.02A 1hxwA-3glaA:
undetectable		 1hxwA-3glaA:
22.02
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A 264
ASP A 266
GLY A 460
ILE A 459
ILE A 224
 None
 1.07A 1hxwA-3i5gA:
undetectable		 1hxwA-3i5gA:
8.00
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.
3kvo HYDROXYSTEROID
DEHYDROGENASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00106
(adh_short) 		5 GLY A 128
ASP A  74
GLY A  17
VAL A  85
ILE A  81
 None
NAP  A 501 (-3.5A)
NAP  A 501 (-3.3A)
None
None
 1.03A 1hxwA-3kvoA:
undetectable		 1hxwA-3kvoA:
15.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ASP A  30
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 1.18A 1hxwA-3mwsA:
20.2		 1hxwA-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ASP A  29
ASP A  30
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 0.99A 1hxwA-3mwsA:
20.2		 1hxwA-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.46A 1hxwA-3mwsA:
20.2		 1hxwA-3mwsA:
78.79
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.
3soe MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		no annotation 5 ASP A 642
GLY A 641
GLY A 681
VAL A 602
ILE A 677
 None
 1.04A 1hxwA-3soeA:
undetectable		 1hxwA-3soeA:
22.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.75A 1hxwA-3t3cA:
18.7		 1hxwA-3t3cA:
77.78
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.
3to3 PETROBACTIN
BIOSYNTHESIS PROTEIN
ASBB

(Bacillus
anthracis) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		5 GLY A 361
ASP A 353
ILE A 366
PRO A 242
VAL A 243
 None
 1.10A 1hxwA-3to3A:
undetectable		 1hxwA-3to3A:
9.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.06A 1hxwA-3ttpA:
19.7		 1hxwA-3ttpA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-4.6A)
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.09A 1hxwA-3ttpA:
19.7		 1hxwA-3ttpA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.57A 1hxwA-3ttpA:
19.7		 1hxwA-3ttpA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  29
ASP A  30
GLY A  48
PRO A  79
ILE A  32
 017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
None
None
 1.12A 1hxwA-3ttpA:
19.7		 1hxwA-3ttpA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.49A 1hxwA-3u7sA:
20.0		 1hxwA-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ASP A  29
PRO A  81
VAL A  82
 None
 0.56A 1hxwA-3uhlA:
16.3		 1hxwA-3uhlA:
78.79
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.
3vbe BETA-CYANOALNINE
SYNTHASE

(Glycine max) 		PF00291
(PALP) 		5 GLY A 239
GLY A 232
ILE A 229
PRO A 345
VAL A 343
 None
PLP  A 500 (-3.3A)
None
PLP  A 500 (-4.2A)
None
 1.12A 1hxwA-3vbeA:
undetectable		 1hxwA-3vbeA:
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.
3w2i NADH-CYTOCHROME B5
REDUCTASE 3

(Sus scrofa) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.91A 1hxwA-3w2iA:
undetectable		 1hxwA-3w2iA:
17.41
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		5 GLY A 528
GLY A 452
ILE A 435
PRO A 201
ILE A 205
 None
 1.10A 1hxwA-4aefA:
undetectable		 1hxwA-4aefA:
9.39
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.
4b90 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 ASP A 399
GLY A  61
ILE A  59
VAL A  28
ILE A  35
 None
 1.10A 1hxwA-4b90A:
undetectable		 1hxwA-4b90A:
11.78
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.
4b92 DIHYDROPYRIMIDINASE-
RELATED PROTEIN 5

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 ASP A 399
GLY A  61
ILE A  59
VAL A  28
ILE A  35
 None
 1.09A 1hxwA-4b92A:
undetectable		 1hxwA-4b92A:
12.30
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.
4cw5 DFNA

(Bacillus
velezensis) 		PF03060
(NMO) 		5 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.99A 1hxwA-4cw5A:
undetectable		 1hxwA-4cw5A:
12.47
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.
4fff LEVAN
FRUCTOTRANSFERASE

(Paenarthrobacter
ureafaciens) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASP A 292
GLY A 294
ASP A 296
ILE A 467
PRO A 363
 None
 0.89A 1hxwA-4fffA:
undetectable		 1hxwA-4fffA:
11.94
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.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		5 ASP A 396
GLY A  58
ILE A  56
VAL A  25
ILE A  32
 None
 1.10A 1hxwA-4gz7A:
undetectable		 1hxwA-4gz7A:
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.
4hb9 SIMILARITIES WITH
PROBABLE
MONOOXYGENASE

(Photorhabdus
laumondii) 		PF01494
(FAD_binding_3) 		5 GLY A  11
ASP A 336
GLY A 159
ILE A   6
VAL A  26
 FAD  A 501 (-3.5A)
None
None
FAD  A 501 (-4.5A)
None
 1.02A 1hxwA-4hb9A:
undetectable		 1hxwA-4hb9A:
13.40
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.
4jqp 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Paraburkholderia
phymatum) 		PF04166
(PdxA) 		5 ASP A 128
GLY A 210
ILE A 211
VAL A 300
ILE A 305
 None
 0.96A 1hxwA-4jqpA:
undetectable		 1hxwA-4jqpA:
16.13
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.
4k5u VARIABLE LYMPHOCYTE
RECEPTOR

(Petromyzon
marinus) 		no annotation 5 GLY B  63
GLY B  18
PRO B  25
VAL B  24
ILE B  42
 None
 0.92A 1hxwA-4k5uB:
undetectable		 1hxwA-4k5uB:
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.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1

(Physcomitrella
patens) 		PF01156
(IU_nuc_hydro) 		5 GLY A  27
ASP A  29
GLY A 142
ILE A  51
ILE A  34
 None
CA  A 400 ( 4.5A)
CA  A 400 ( 4.4A)
None
None
 0.94A 1hxwA-4kpnA:
undetectable		 1hxwA-4kpnA:
18.59
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 GLY A  10
ASP A  12
GLY A 124
ILE A  34
ILE A  17
 None
CA  A 401 ( 4.8A)
CA  A 401 ( 4.3A)
None
None
 0.86A 1hxwA-4kpoA:
undetectable		 1hxwA-4kpoA:
16.72
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.
4lry PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
DIHYDROXYACETONE-BIN
DING SUBUNIT DHAK

(Escherichia
coli) 		PF02733
(Dak1) 		5 GLY A 219
GLY A 327
ILE A 189
VAL A 150
ILE A 217
 None
 1.05A 1hxwA-4lryA:
undetectable		 1hxwA-4lryA:
17.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.91A 1hxwA-4njvA:
20.7		 1hxwA-4njvA:
87.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.40A 1hxwA-4njvA:
20.7		 1hxwA-4njvA:
87.88
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.
4nyn RIBONUCLEASE HI

(Halobacterium
salinarum) 		PF13456
(RVT_3) 		5 GLY A 171
ASP A 173
ASP A 174
GLY A  67
ILE A 134
 None
 1.12A 1hxwA-4nynA:
undetectable		 1hxwA-4nynA:
18.93
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.
4r1u CINNAMOYL COA
REDUCTASE

(Medicago
truncatula) 		PF01370
(Epimerase) 		5 GLY A  97
ASP A  59
GLY A   8
VAL A  70
ILE A  66
 None
 0.92A 1hxwA-4r1uA:
undetectable		 1hxwA-4r1uA:
13.79
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.
4rlb CARBAPENEM-ASSOCIATE
D RESISTANCE PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 GLY A 196
ASP A 201
ASP A 123
GLY A 192
ILE A 188
 None
 0.94A 1hxwA-4rlbA:
undetectable		 1hxwA-4rlbA:
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.
4rlb CARBAPENEM-ASSOCIATE
D RESISTANCE PROTEIN

(Acinetobacter
baumannii) 		no annotation 6 GLY A 196
ASP A 201
GLY A 192
ILE A 188
VAL A 120
ILE A 122
 None
 1.21A 1hxwA-4rlbA:
undetectable		 1hxwA-4rlbA:
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.
4u8g PUTATIVE
UNCHARACTERIZED
PROTEIN GBS1891

(Streptococcus
agalactiae) 		PF13561
(adh_short_C2) 		5 ASP A  45
GLY A  21
GLY A 100
ILE A 101
ILE A  46
 None
 1.09A 1hxwA-4u8gA:
undetectable		 1hxwA-4u8gA:
16.73
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.
4u8g PUTATIVE
UNCHARACTERIZED
PROTEIN GBS1891

(Streptococcus
agalactiae) 		PF13561
(adh_short_C2) 		5 ASP A  71
GLY A  21
ILE A  19
VAL A  82
ILE A  78
 None
 0.88A 1hxwA-4u8gA:
undetectable		 1hxwA-4u8gA:
16.73
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.
4w5w RIBULOSE
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E ACTIVASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00004
(AAA) 		5 GLY A 260
ASP A 265
ILE A 284
VAL A 273
ILE A 272
 None
 1.11A 1hxwA-4w5wA:
undetectable		 1hxwA-4w5wA:
15.90
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.
4x4j PUTATIVE OXYGENASE

(Amycolatopsis
orientalis) 		PF01494
(FAD_binding_3) 		5 GLY A  19
GLY A  27
ILE A  26
VAL A 149
ILE A   7
 None
 1.02A 1hxwA-4x4jA:
undetectable		 1hxwA-4x4jA:
13.40
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.
4y9w ASPARTIC ACID
ENDOPEPTIDASE SAPP2

(Candida
parapsilosis) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
GLY A  76
ILE A 116
 None
 0.73A 1hxwA-4y9wA:
7.5		 1hxwA-4y9wA:
16.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ASP A  36
GLY A  58
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.45A 1hxwA-4ydfA:
13.2		 1hxwA-4ydfA:
32.48
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.
4z38 MLNA

(Bacillus
velezensis) 		no annotation 5 GLY A 576
GLY A 748
ILE A 747
PRO A 559
ILE A 556
 FMN  A 900 (-3.5A)
None
None
None
None
 1.06A 1hxwA-4z38A:
undetectable		 1hxwA-4z38A:
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.
4z9x GLUCONATE
5-DEHYDROGENASE

(Streptococcus
pyogenes) 		PF13561
(adh_short_C2) 		5 ASP A  66
GLY A  16
ILE A  14
VAL A  77
ILE A  73
 None
 0.94A 1hxwA-4z9xA:
undetectable		 1hxwA-4z9xA:
18.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  84
 None
 0.90A 1hxwA-5b18A:
18.2		 1hxwA-5b18A:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
 0.58A 1hxwA-5b18A:
18.2		 1hxwA-5b18A:
77.78
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.
5bok FERREDOXIN

(Diaphorobacter
sp. DS2) 		PF00355
(Rieske) 		5 GLY A  55
GLY A  21
ILE A  20
VAL A  73
ILE A  62
 None
 1.05A 1hxwA-5bokA:
undetectable		 1hxwA-5bokA:
22.02
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.
5ilg PHOTORECEPTOR
DEHYDROGENASE,
ISOFORM C

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 ASP A 232
ASP A  85
GLY A 174
VAL A 178
ILE A 131
 None
 1.10A 1hxwA-5ilgA:
undetectable		 1hxwA-5ilgA:
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.
5j7n LOW MOLECULAR WEIGHT
HEAT SHOCK PROTEIN

(Xylella
fastidiosa) 		PF00011
(HSP20) 		5 ASP A 119
ASP A 117
GLY A  77
ILE A  78
ILE A 134
 None
 1.04A 1hxwA-5j7nA:
undetectable		 1hxwA-5j7nA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mm2 CAPSID PROTEIN VP4C

(Nora virus) 		no annotation 5 GLY A 118
GLY A 161
ILE A 212
VAL A  54
ILE A 259
 None
 0.99A 1hxwA-5mm2A:
undetectable		 1hxwA-5mm2A:
17.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.49A 1hxwA-5t2zA:
20.0		 1hxwA-5t2zA:
80.81
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.
5u1w P2X PURINOCEPTOR

(Ailuropoda
melanoleuca) 		PF00864
(P2X_receptor) 		5 ASP A 240
GLY A 253
ILE A 254
VAL A 104
ILE A 315
 None
 1.09A 1hxwA-5u1wA:
undetectable		 1hxwA-5u1wA:
15.23
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.
5vto BLASTICIDIN M

(Streptomyces
griseochromogenes) 		no annotation 5 GLY A 101
ASP A  80
ILE A  93
VAL A 132
ILE A 106
 None
 1.09A 1hxwA-5vtoA:
undetectable		 1hxwA-5vtoA:
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.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii) 		no annotation 5 ASP A 244
GLY A 245
GLY A 295
ILE A 290
PRO A 331
 None
LLP  A  63 ( 4.2A)
None
None
None
 1.07A 1hxwA-5ybwA:
undetectable		 1hxwA-5ybwA:
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.
6c8z ADP-DEPENDENT
PHOSPHOFRUCTOKINASE

(Methanosarcinales) 		no annotation 5 ASP A 404
GLY A 128
ILE A 129
VAL A 390
ILE A 406
 None
 1.03A 1hxwA-6c8zA:
undetectable		 1hxwA-6c8zA:
18.81
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  30
GLY A  32
ASP A  34
GLY A  58
VAL A  99
 3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
None
 0.62A 1hxwA-6fivA:
15.5		 1hxwA-6fivA:
28.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ASP A  25
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
None
None
None
None
None
 1.10A 1hxwA-6upjA:
18.1		 1hxwA-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 1.37A 1hxwA-6upjA:
18.1		 1hxwA-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.90A 1hxwA-6upjA:
18.1		 1hxwA-6upjA:
48.48