SIMILAR PATTERNS OF AMINO ACIDS FOR 3D1Y_A_ROCA201_2

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.
1bou 4,5-DIOXYGENASE BETA
CHAIN


(Sphingomonas
paucimobilis)
PF02900
(LigB)
5 LEU B 133
ILE B 277
GLY B   7
PRO B  51
ILE B 136
None
1.13A 3d1yB-1bouB:
undetectable
3d1yB-1bouB:
14.62
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.
1fxl PARANEOPLASTIC
ENCEPHALOMYELITIS
ANTIGEN HUD


(Homo sapiens)
PF00076
(RRM_1)
5 LEU A 186
GLY A 167
ILE A 156
VAL A 200
ILE A 198
None
1.08A 3d1yB-1fxlA:
undetectable
3d1yB-1fxlA:
22.78
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.
1g5u PROFILIN

(Hevea
brasiliensis)
PF00235
(Profilin)
5 ILE A1102
GLY A1104
ILE A1105
VAL A1032
ILE A1026
None
1.16A 3d1yB-1g5uA:
undetectable
3d1yB-1g5uA:
24.06
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 ARG A   8
LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.2A)
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)
0.60A 3d1yB-1hvcA:
13.9
3d1yB-1hvcA:
46.31
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 ARG A   8
LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.4A)
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)
0.68A 3d1yB-1hvcA:
13.9
3d1yB-1hvcA:
46.31
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.
1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB


(Bacillus
thuringiensis)
PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
5 LEU A 541
ILE A 592
ILE A 628
VAL A 517
ILE A 642
None
1.16A 3d1yB-1ji6A:
undetectable
3d1yB-1ji6A:
10.23
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.
1jqe HISTAMINE
N-METHYLTRANSFERASE


(Homo sapiens)
PF13489
(Methyltransf_23)
5 LEU A  71
ASP A  67
ILE A 171
ILE A  59
ILE A  70
None
1.06A 3d1yB-1jqeA:
undetectable
3d1yB-1jqeA:
13.84
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.
1jqe HISTAMINE
N-METHYLTRANSFERASE


(Homo sapiens)
PF13489
(Methyltransf_23)
5 LEU A  71
ASP A  67
ILE A 171
ILE A 139
ILE A  70
None
1.14A 3d1yB-1jqeA:
undetectable
3d1yB-1jqeA:
13.84
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.
1l6r HYPOTHETICAL PROTEIN
TA0175


(Thermoplasma
acidophilum)
PF08282
(Hydrolase_3)
5 LEU A  40
ILE A 217
GLY A 215
VAL A   9
ILE A   7
None
0.98A 3d1yB-1l6rA:
undetectable
3d1yB-1l6rA:
19.32
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.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE


(Pyrococcus
horikoshii)
PF06026
(Rib_5-P_isom_A)
5 LEU A 161
ILE A 200
GLY A 202
ILE A 141
ILE A 180
None
1.05A 3d1yB-1lk5A:
undetectable
3d1yB-1lk5A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lua METHYLENE
TETRAHYDROMETHANOPTE
RIN DEHYDROGENASE


(Methylobacterium
extorquens)
PF09176
(Mpt_N)
5 LEU A 126
ILE A 252
GLY A 248
ILE A 232
VAL A 193
None
1.15A 3d1yB-1luaA:
undetectable
3d1yB-1luaA:
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.
1nba N-CARBAMOYLSARCOSINE
AMIDOHYDROLASE


(Arthrobacter
sp.)
PF00857
(Isochorismatase)
5 ARG A 196
LEU A 211
ILE A 186
ILE A 168
ILE A 214
None
1.11A 3d1yB-1nbaA:
undetectable
3d1yB-1nbaA:
16.15
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE


(Methylophilus
methylotrophus)
PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2)
5 LEU A 650
GLY A 668
ILE A 666
VAL A 395
ILE A 485
ADP  A1731 ( 4.6A)
None
None
ADP  A1731 (-4.7A)
None
0.94A 3d1yB-1o94A:
undetectable
3d1yB-1o94A:
10.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oed ACETYLCHOLINE
RECEPTOR PROTEIN,
BETA CHAIN


(Torpedo
marmorata)
PF02932
(Neur_chan_memb)
5 LEU B 218
ILE B 287
ILE B 454
VAL B 222
ILE B 221
None
1.08A 3d1yB-1oedB:
undetectable
3d1yB-1oedB:
16.26
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.
1ohf NUDAURELIA CAPENSIS
OMEGA VIRUS CAPSID
PROTEIN


(Nudaurelia
capensis omega
virus)
PF03566
(Peptidase_A21)
5 ARG A 194
ILE A 155
ILE A 475
VAL A 217
ILE A 215
None
1.15A 3d1yB-1ohfA:
undetectable
3d1yB-1ohfA:
11.54
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE


(Acidaminococcus
fermentans)
PF01144
(CoA_trans)
5 ILE B  21
GLY B  37
ILE B  36
VAL B  53
ILE B  51
None
0.91A 3d1yB-1poiB:
undetectable
3d1yB-1poiB:
16.80
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.
1q90 APOCYTOCHROME F

(Chlamydomonas
reinhardtii)
PF01333
(Apocytochr_F_C)
PF16639
(Apocytochr_F_N)
5 LEU A  83
ILE A 244
ILE A  76
VAL A 128
ILE A 130
None
1.13A 3d1yB-1q90A:
undetectable
3d1yB-1q90A:
18.73
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.
1sd5 PUTATIVE
ANTITERMINATOR


(Mycobacterium
tuberculosis)
PF00072
(Response_reg)
PF03861
(ANTAR)
5 LEU A  61
ILE A  25
ILE A 118
VAL A  16
ILE A  63
None
IOD  A 414 ( 4.4A)
None
None
None
1.17A 3d1yB-1sd5A:
undetectable
3d1yB-1sd5A:
19.02
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)
7 ARG A   8
LEU A  23
ASP A  25
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
0.75A 3d1yB-1sivA:
18.3
3d1yB-1sivA:
50.98
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.
1sr8 COBALAMIN
BIOSYNTHESIS PROTEIN
(CBID)


(Archaeoglobus
fulgidus)
PF01888
(CbiD)
5 LEU A 243
ASP A 240
ILE A 260
GLY A 263
ILE A 239
None
1.15A 3d1yB-1sr8A:
undetectable
3d1yB-1sr8A:
16.05
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.
1tf1 NEGATIVE REGULATOR
OF ALLANTOIN AND
GLYOXYLATE
UTILIZATION OPERONS


(Escherichia
coli)
PF01614
(IclR)
5 LEU A 180
GLY A  46
ILE A  45
VAL A  16
ILE A 176
None
1.14A 3d1yB-1tf1A:
undetectable
3d1yB-1tf1A:
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.
1tkk SIMILAR TO
CHLOROMUCONATE
CYCLOISOMERASE


(Bacillus
subtilis)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ILE A 354
GLY A  44
ILE A  36
VAL A  32
ILE A  33
None
1.09A 3d1yB-1tkkA:
undetectable
3d1yB-1tkkA:
17.13
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.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG


(Bacillus
subtilis)
PF05343
(Peptidase_M42)
5 LEU A 350
ILE A 305
GLY A 235
ILE A 317
ILE A 232
None
1.18A 3d1yB-1vheA:
undetectable
3d1yB-1vheA:
14.66
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.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii)
PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
5 LEU A 167
ILE A 182
GLY A 217
ILE A 227
VAL A 188
None
1.04A 3d1yB-1wn1A:
undetectable
3d1yB-1wn1A:
14.89
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.
1xr4 PUTATIVE CITRATE
LYASE ALPHA
CHAIN/CITRATE-ACP
TRANSFERASE


(Salmonella
enterica)
PF04223
(CitF)
5 LEU A 460
ILE A 250
ILE A 258
VAL A 442
ILE A 440
None
1.10A 3d1yB-1xr4A:
undetectable
3d1yB-1xr4A:
12.18
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.
2afv COBALAMIN
BIOSYNTHESIS
PRECORRIN ISOMERASE


(Leptospira
interrogans)
PF02570
(CbiC)
5 ILE A 194
GLY A 165
ILE A 139
PRO A 160
ILE A 136
None
0.91A 3d1yB-2afvA:
undetectable
3d1yB-2afvA:
18.58
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.
2bmf RNA HELICASE

(Dengue virus)
PF07652
(Flavi_DEAD)
5 LEU A 204
GLY A 311
ILE A 281
VAL A 208
ILE A 207
None
1.13A 3d1yB-2bmfA:
undetectable
3d1yB-2bmfA:
13.56
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.
2bri URIDYLATE KINASE

(Pyrococcus
furiosus)
PF00696
(AA_kinase)
5 ASP A 206
ILE A 214
GLY A 216
VAL A 201
ILE A 202
None
1.14A 3d1yB-2briA:
undetectable
3d1yB-2briA:
19.34
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.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox)
PF00491
(Arginase)
5 LEU A  46
ILE A 101
GLY A 104
PRO A  92
ILE A   7
None
1.03A 3d1yB-2cevA:
undetectable
3d1yB-2cevA:
19.12
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.
2cun PHOSPHOGLYCERATE
KINASE


(Pyrococcus
horikoshii)
PF00162
(PGK)
5 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
None
0.81A 3d1yB-2cunA:
undetectable
3d1yB-2cunA:
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.
2cv6 SEED STORAGE PROTEIN

(Vigna radiata)
PF00190
(Cupin_1)
5 LEU A 296
ILE A 287
ILE A 284
VAL A 336
ILE A 294
None
1.14A 3d1yB-2cv6A:
undetectable
3d1yB-2cv6A:
14.46
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)
8 ARG A   8
LEU A  23
ASP A  25
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
0.62A 3d1yB-2fmbA:
14.9
3d1yB-2fmbA:
34.91
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.
2jir PERIPLASMIC NITRATE
REDUCTASE


(Desulfovibrio
desulfuricans)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
5 LEU A 613
ILE A 655
ILE A 662
VAL A 687
ILE A 685
None
0.97A 3d1yB-2jirA:
undetectable
3d1yB-2jirA:
10.70
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.
2k4m UPF0146 PROTEIN
MTH_1000


(Methanothermobacter
thermautotrophicus)
PF03686
(UPF0146)
5 LEU A  92
GLY A  43
ILE A  96
VAL A  39
ILE A  93
None
0.98A 3d1yB-2k4mA:
undetectable
3d1yB-2k4mA:
18.30
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.
2nr7 SECRETION ACTIVATOR
PROTEIN, PUTATIVE


(Porphyromonas
gingivalis)
PF05838
(Glyco_hydro_108)
PF09374
(PG_binding_3)
5 LEU A 134
GLY A 102
ILE A 103
VAL A  87
ILE A 138
None
0.75A 3d1yB-2nr7A:
undetectable
3d1yB-2nr7A:
22.83
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.
2qu8 PUTATIVE NUCLEOLAR
GTP-BINDING PROTEIN
1


(Plasmodium
falciparum)
PF06858
(NOG1)
5 ILE A 136
GLY A  36
ILE A 115
VAL A 111
ILE A 145
None
1.09A 3d1yB-2qu8A:
undetectable
3d1yB-2qu8A:
18.75
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.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum)
PF05368
(NmrA)
5 ARG A 106
LEU A 108
GLY A  26
VAL A  78
ILE A  80
None
1.16A 3d1yB-2qw8A:
undetectable
3d1yB-2qw8A:
15.61
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.
2r1v DJ-1

(Homo sapiens)
PF01965
(DJ-1_PfpI)
5 LEU A 101
GLY A 108
ILE A 105
VAL A  69
ILE A 102
None
1.11A 3d1yB-2r1vA:
undetectable
3d1yB-2r1vA:
20.94
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)
7 ARG A   8
LEU A  23
ASP A  25
GLY A  49
ILE A  50
PRO A  81
ILE A  84
AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
0.67A 3d1yB-2rkfA:
20.5
3d1yB-2rkfA:
82.83
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.
2wfd LEUCYL-TRNA
SYNTHETASE,
CYTOPLASMIC


(Homo sapiens)
PF00133
(tRNA-synt_1)
5 ILE A 287
GLY A 315
ILE A 314
VAL A 307
ILE A 357
None
1.08A 3d1yB-2wfdA:
undetectable
3d1yB-2wfdA:
21.52
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.
2y23 MYOMESIN

(Homo sapiens)
PF07679
(I-set)
5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
None
0.82A 3d1yB-2y23A:
undetectable
3d1yB-2y23A:
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.
2zj4 GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING] 1


(Homo sapiens)
PF01380
(SIS)
5 ILE A 634
ILE A 592
PRO A 615
VAL A 588
ILE A 589
None
0.98A 3d1yB-2zj4A:
undetectable
3d1yB-2zj4A:
15.06
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.
3b8y ENDO-PECTATE LYASE

(Dickeya
chrysanthemi)
PF03211
(Pectate_lyase)
5 LEU A 153
ILE A 206
GLY A 209
ILE A 188
ILE A 175
None
1.12A 3d1yB-3b8yA:
undetectable
3d1yB-3b8yA:
17.32
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.
3clj PROTEIN NRD1

(Saccharomyces
cerevisiae)
PF04818
(CTD_bind)
5 LEU A 108
GLY A  73
ILE A  72
VAL A 104
ILE A 105
None
1.00A 3d1yB-3cljA:
undetectable
3d1yB-3cljA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e9k KYNURENINASE

(Homo sapiens)
PF00266
(Aminotran_5)
5 LEU A 133
ASP A 113
ILE A 331
GLY A 307
ILE A 323
None
1.14A 3d1yB-3e9kA:
undetectable
3d1yB-3e9kA:
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.
3euj CHROMOSOME PARTITION
PROTEIN MUKB, LINKER


([Haemophilus]
ducreyi)
PF04310
(MukB)
PF13558
(SbcCD_C)
5 LEU A1290
GLY A1396
ILE A1399
VAL A1301
ILE A1293
None
1.16A 3d1yB-3eujA:
undetectable
3d1yB-3eujA:
12.14
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.
3i0m DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1


(Schizosaccharomyces
pombe)
PF00498
(FHA)
5 ILE A  52
GLY A 137
ILE A 138
VAL A 191
ILE A  17
None
0.97A 3d1yB-3i0mA:
undetectable
3d1yB-3i0mA:
16.05
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.
3lun ULILYSIN

(Methanosarcina
acetivorans)
PF05572
(Peptidase_M43)
5 LEU A 171
GLY A 211
ILE A  93
VAL A  69
ILE A 173
None
1.10A 3d1yB-3lunA:
undetectable
3d1yB-3lunA:
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.
3moy PROBABLE ENOYL-COA
HYDRATASE


(Mycolicibacterium
smegmatis)
PF00378
(ECH_1)
5 ILE A 198
GLY A  52
ILE A  51
VAL A  56
ILE A  99
None
1.11A 3d1yB-3moyA:
undetectable
3d1yB-3moyA:
14.62
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)
7 ARG A   8
LEU A  23
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
None
0.82A 3d1yB-3mwsA:
19.4
3d1yB-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 LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
None
0.67A 3d1yB-3mwsA:
19.4
3d1yB-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.
3qo6 PROTEASE DO-LIKE 1,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF13180
(PDZ_2)
PF13365
(Trypsin_2)
5 ILE A 236
GLY A 284
ILE A 296
VAL A 221
ILE A 219
None
1.16A 3d1yB-3qo6A:
undetectable
3d1yB-3qo6A:
17.45
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.
3rv6 ISOCHORISMATE
SYNTHASE/ISOCHORISMA
TE-PYRUVATE LYASE
MBTI


(Mycobacterium
tuberculosis)
PF00425
(Chorismate_bind)
5 ARG A 376
ASP A 378
GLY A 421
ILE A 422
ILE A 374
None
None
VAE  A 451 ( 4.2A)
None
None
1.17A 3d1yB-3rv6A:
undetectable
3d1yB-3rv6A:
13.62
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.
3sc3 PUTATIVE DNA
REPLICATION
REGULATOR HDA


(Shewanella
amazonensis)
PF00308
(Bac_DnaA)
5 LEU A 166
ILE A  68
ILE A  39
VAL A  51
ILE A  54
None
1.18A 3d1yB-3sc3A:
undetectable
3d1yB-3sc3A:
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.
3t32 AMINOTRANSFERASE,
CLASS I/II


(Bacillus
anthracis)
PF00155
(Aminotran_1_2)
5 ARG A 334
LEU A 338
ILE A 302
VAL A 346
ILE A 344
None
1.10A 3d1yB-3t32A:
undetectable
3d1yB-3t32A:
17.15
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)
5 LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
0.46A 3d1yB-3t3cA:
18.2
3d1yB-3t3cA:
75.76
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.
3t7s PUTATIVE
METHYLTRANSFERASE


(Bacteroides
vulgatus)
PF13649
(Methyltransf_25)
5 LEU A 146
ILE A  72
GLY A  74
ILE A  75
VAL A 148
None
1.10A 3d1yB-3t7sA:
undetectable
3d1yB-3t7sA:
18.66
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)
7 ARG A   8
LEU A  23
ASP A  25
GLY A  49
ILE A  50
PRO A  81
ILE A  84
017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
0.66A 3d1yB-3ttpA:
19.3
3d1yB-3ttpA:
76.77
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 ARG A   8
LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
PRO A  81
None
None
017  A 202 ( 2.5A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
0.62A 3d1yB-3u7sA:
19.9
3d1yB-3u7sA:
76.77
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.
3vb9 UNCHARACTERIZED
PROTEIN VPA0735


(Vibrio
parahaemolyticus)
PF06742
(DUF1214)
PF06863
(DUF1254)
5 LEU A 160
GLY A  86
PRO A 163
VAL A 162
ILE A 161
None
1.14A 3d1yB-3vb9A:
undetectable
3d1yB-3vb9A:
13.13
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.
3vzq ACETOACETYL-COA
REDUCTASE


(Cupriavidus
necator)
PF00106
(adh_short)
5 LEU A 199
GLY A 184
ILE A 186
VAL A 203
ILE A 202
None
1.18A 3d1yB-3vzqA:
undetectable
3d1yB-3vzqA:
16.93
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.
4a9a RIBOSOME-INTERACTING
GTPASE 1


(Saccharomyces
cerevisiae)
PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn)
5 LEU A 145
ILE A 122
GLY A  72
ILE A 149
VAL A  68
None
0.81A 3d1yB-4a9aA:
undetectable
3d1yB-4a9aA:
15.16
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.
4avo BETA-1,4-EXOCELLULAS
E


(Thermobifida
fusca)
PF01341
(Glyco_hydro_6)
5 LEU A 178
GLY A 313
ILE A 315
VAL A 217
ILE A 219
None
0.91A 3d1yB-4avoA:
undetectable
3d1yB-4avoA:
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.
4ex9 ALNA

(Streptomyces
sp. CM020)
PF04227
(Indigoidine_A)
5 LEU A   9
ILE A  87
GLY A 108
ILE A 110
VAL A  68
None
1.07A 3d1yB-4ex9A:
undetectable
3d1yB-4ex9A:
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.
4fmz INTERNALIN

(Listeria
monocytogenes)
PF12354
(Internalin_N)
PF12799
(LRR_4)
PF13855
(LRR_8)
5 LEU A 343
ILE A 356
ILE A 310
VAL A 339
ILE A 340
None
EDO  A 405 (-3.8A)
None
None
None
1.03A 3d1yB-4fmzA:
undetectable
3d1yB-4fmzA:
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.
4h0o ACETATE KINASE

(Entamoeba
histolytica)
PF00871
(Acetate_kinase)
5 LEU A 183
GLY A 208
ILE A 195
VAL A 179
ILE A 180
None
0.98A 3d1yB-4h0oA:
undetectable
3d1yB-4h0oA:
13.61
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.
4jwy GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2D


(Rattus
norvegicus)
PF10613
(Lig_chan-Glu_bd)
5 LEU A 264
ASP A 260
ILE A 112
GLY A 246
ILE A 117
None
1.07A 3d1yB-4jwyA:
undetectable
3d1yB-4jwyA:
18.05
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3


(Zea mays)
PF01156
(IU_nuc_hydro)
5 ASP A   8
ILE A 129
ILE A 167
PRO A  68
ILE A  34
CA  A 401 (-3.1A)
None
None
None
None
1.17A 3d1yB-4kpoA:
undetectable
3d1yB-4kpoA:
18.78
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.
4l4y TRANSCRIPTIONAL
REGULATOR LSRR


(Escherichia
coli)
PF04198
(Sugar-bind)
5 LEU A  84
ILE A 207
GLY A 209
ILE A 210
VAL A  87
None
1.07A 3d1yB-4l4yA:
undetectable
3d1yB-4l4yA:
16.79
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.
4l5i TRANSCRIPTIONAL
REGULATOR LSRR


(Escherichia
coli)
PF04198
(Sugar-bind)
5 LEU A  84
ILE A 207
GLY A 209
ILE A 210
VAL A  87
None
1.08A 3d1yB-4l5iA:
undetectable
3d1yB-4l5iA:
14.06
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.
4lik DNA PRIMASE SMALL
SUBUNIT


(Homo sapiens)
PF01896
(DNA_primase_S)
5 LEU A 336
GLY A 164
ILE A 110
VAL A 339
ILE A 334
None
0.87A 3d1yB-4likA:
undetectable
3d1yB-4likA:
11.51
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.
4lmp ALANINE
DEHYDROGENASE


(Mycobacterium
tuberculosis)
PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N)
5 LEU A 207
GLY A 189
ILE A 186
VAL A 196
ILE A 215
None
1.06A 3d1yB-4lmpA:
undetectable
3d1yB-4lmpA:
16.20
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 ARG A   8
LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
ILE A  84
RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-4.3A)
0.42A 3d1yB-4njvA:
20.0
3d1yB-4njvA:
85.86
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 LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
RIT  A 500 (-2.4A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
0.67A 3d1yB-4njvA:
20.0
3d1yB-4njvA:
85.86
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.
4o7h GLUTATHIONE
S-TRANSFERASE


(Rhodospirillum
rubrum)
PF13410
(GST_C_2)
PF13417
(GST_N_3)
5 LEU A 170
ILE A 130
PRO A 180
VAL A 179
ILE A 173
None
1.10A 3d1yB-4o7hA:
undetectable
3d1yB-4o7hA:
17.90
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.
4p9n CARBOXYLESTERASE

(Sulfolobus
shibatae)
PF07859
(Abhydrolase_3)
5 ARG A 221
LEU A 163
ILE A  51
GLY A  53
VAL A 122
None
1.04A 3d1yB-4p9nA:
undetectable
3d1yB-4p9nA:
16.00
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.
4pxq D-GLUCURONYL C5
EPIMERASE B


(Danio rerio)
PF06662
(C5-epim_C)
6 LEU A 322
ASP A 325
GLY A 308
ILE A 309
VAL A 276
ILE A 289
None
1.15A 3d1yB-4pxqA:
undetectable
3d1yB-4pxqA:
11.04
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.
4qs9 HEXOKINASE-1

(Arabidopsis
thaliana)
PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2)
5 LEU A 302
ASP A 299
GLY A 406
ILE A 318
ILE A 326
None
1.15A 3d1yB-4qs9A:
undetectable
3d1yB-4qs9A:
12.93
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.
4re2 BETA-MANNOSIDASE/BET
A-GLUCOSIDASE


(Oryza sativa)
PF00232
(Glyco_hydro_1)
5 LEU A 438
ILE A 410
PRO A 466
VAL A 455
ILE A 454
None
1.10A 3d1yB-4re2A:
undetectable
3d1yB-4re2A:
11.20
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 ARG A  10
LEU A  30
ASP A  32
GLY A  58
ILE A 100
None
None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
0.58A 3d1yB-4ydfA:
12.8
3d1yB-4ydfA:
32.17
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.
4ywl CELL DIVISION
CONTROL PROTEIN 21


(Pyrococcus
furiosus)
PF14551
(MCM_N)
PF17207
(MCM_OB)
5 ILE A 187
GLY A 205
ILE A 206
VAL A 214
ILE A 249
None
0.92A 3d1yB-4ywlA:
undetectable
3d1yB-4ywlA:
17.84
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.
5awm STRESS-ACTIVATED
PROTEIN KINASE JNK


(Drosophila
melanogaster)
PF00069
(Pkinase)
5 LEU A 113
ILE A  83
GLY A 136
VAL A 157
ILE A 155
None
1.17A 3d1yB-5awmA:
undetectable
3d1yB-5awmA:
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.
5boe ENOLASE

(Staphylococcus
aureus)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
5 ILE A 384
ILE A 347
PRO A  38
VAL A  37
ILE A 118
None
1.14A 3d1yB-5boeA:
undetectable
3d1yB-5boeA:
15.35
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.
5dlq EXPORTIN-4

(Mus musculus)
no annotation 5 LEU B 608
ILE B 578
ILE B 660
VAL B 604
ILE B 605
None
1.11A 3d1yB-5dlqB:
undetectable
3d1yB-5dlqB:
6.81
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.
5g5n LH3
HEXON-INTERLACING
CAPSID PROTEIN


(Snake
atadenovirus A)
PF01696
(Adeno_E1B_55K)
5 LEU A  49
ILE A  86
ILE A  83
PRO A  37
ILE A  68
None
1.18A 3d1yB-5g5nA:
undetectable
3d1yB-5g5nA:
14.41
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.
5kk5 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1


(Acidaminococcus
sp. BV3L6)
no annotation 5 LEU A  66
ILE A 121
GLY A 112
ILE A 111
VAL A  69
None
1.14A 3d1yB-5kk5A:
undetectable
3d1yB-5kk5A:
5.79
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.
5mz9 -

(-)
no annotation 5 LEU A 552
GLY A 387
ILE A 385
VAL A 547
ILE A 395
None
1.11A 3d1yB-5mz9A:
undetectable
3d1yB-5mz9A:
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.
5nr1 FTSZ-BINDING PROTEIN
FZLA


(Caulobacter
vibrioides)
PF00043
(GST_C)
PF13417
(GST_N_3)
5 LEU A 176
GLY A 139
PRO A 186
VAL A 185
ILE A 179
None
0.99A 3d1yB-5nr1A:
undetectable
3d1yB-5nr1A:
17.11
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 ARG A   8
LEU A  23
ASP A  25
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
0.68A 3d1yB-5t2zA:
20.1
3d1yB-5t2zA:
81.82
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG


(Methanothermobacter
wolfeii)
PF12838
(Fer4_7)
5 LEU G  60
ILE G  76
PRO G  23
VAL G  24
ILE G  45
None
SF4  G 101 ( 3.8A)
None
None
SF4  G 102 ( 3.9A)
1.02A 3d1yB-5t5iG:
undetectable
3d1yB-5t5iG:
25.00
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.
5vc2 SERINE
HYDROXYMETHYLTRANSFE
RASE


(Helicobacter
pylori)
PF00464
(SHMT)
5 LEU A 195
ASP A 197
GLY A 234
ILE A 235
VAL A 102
None
1.17A 3d1yB-5vc2A:
undetectable
3d1yB-5vc2A:
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.
5wka BETA-GLUCOSIDASE

(metagenome)
no annotation 5 LEU A 418
ILE A 390
PRO A 446
VAL A 435
ILE A 434
None
1.13A 3d1yB-5wkaA:
undetectable
3d1yB-5wkaA:
22.99
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.
5xir HEAT SHOCK 70 KDA
PROTEIN 1A


(Homo sapiens)
no annotation 5 LEU A  22
ILE A  41
GLY A 105
PRO A  19
ILE A  35
None
1.13A 3d1yB-5xirA:
undetectable
3d1yB-5xirA:
20.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus)
PF00077
(RVP)
5 ARG A  13
LEU A  28
ASP A  30
GLY A  58
VAL A  99
None
None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
None
0.47A 3d1yB-6fivA:
15.8
3d1yB-6fivA:
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.
6fml INO80

(Chaetomium
thermophilum)
no annotation 5 LEU G1190
ILE G 991
GLY G 993
ILE G 994
ILE G1193
None
1.10A 3d1yB-6fmlG:
undetectable
3d1yB-6fmlG:
18.37
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.
6g43 PUTATIVE MAJOR
CAPSID PROTEIN


(Cafeteriavirus-dependent
mavirus)
no annotation 5 ILE A 262
GLY A  51
ILE A  52
PRO A 104
VAL A 105
None
1.10A 3d1yB-6g43A:
undetectable
3d1yB-6g43A:
17.71
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.
6g45 PUTATIVE MAJOR
CAPSID PROTEIN


(Cafeteriavirus-dependent
mavirus)
no annotation 5 ILE A 262
GLY A  51
ILE A  52
PRO A 104
VAL A 105
None
1.02A 3d1yB-6g45A:
undetectable
3d1yB-6g45A:
17.71
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.
6gdg TRXA,ADENOSINE
RECEPTOR A2A


(Escherichia
coli;
Homo sapiens)
no annotation 5 LEU A 241
ILE A  98
ILE A  92
VAL A 283
ILE A 287
None
1.14A 3d1yB-6gdgA:
undetectable
3d1yB-6gdgA:
19.80
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)
5 ARG A   8
ASP A  25
GLY A  49
ILE A  50
ILE A  84
None
NIU  A 100 (-2.8A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
0.84A 3d1yB-6upjA:
17.8
3d1yB-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 LEU A  23
ASP A  25
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
NIU  A 100 (-2.8A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
0.89A 3d1yB-6upjA:
17.8
3d1yB-6upjA:
48.48