SIMILAR PATTERNS OF AMINO ACIDS FOR 3EL4_A_ROCA100_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.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		5 ALA A   4
VAL A 102
ILE A 193
GLY A 197
PRO A 105
 None
 1.18A 3el4B-1cleA:
undetectable		 3el4B-1cleA:
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.
1ct9 ASPARAGINE
SYNTHETASE B

(Escherichia
coli) 		PF00733
(Asn_synthase)
PF13537
(GATase_7) 		5 ARG A  49
ALA A 122
ILE A 142
GLY A 119
ILE A  77
 GLN  A1106 (-3.8A)
None
None
None
None
 1.04A 3el4B-1ct9A:
undetectable		 3el4B-1ct9A:
10.49
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.
1e08 [FE]-HYDROGENASE
(LARGE SUBUNIT)
[FE]-HYDROGENASE
(SMALL SUBUNIT)

(Desulfovibrio
desulfuricans) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
PF13187
(Fer4_9) 		5 ALA A 113
VAL A 298
ILE D  47
GLY D  49
THR A 294
 None
None
None
None
CYN  A   8 ( 3.9A)
 1.12A 3el4B-1e08A:
undetectable		 3el4B-1e08A:
13.75
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.
1e3e ALCOHOL
DEHYDROGENASE, CLASS
II

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 201
ILE A 212
GLY A 214
ILE A 188
THR A 294
 None
 1.23A 3el4B-1e3eA:
undetectable		 3el4B-1e3eA:
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.
1f76 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF01180
(DHO_dh) 		5 ALA A  61
ILE A 298
GLY A 320
ILE A 322
THR A 247
 FMN  A1337 (-3.4A)
None
None
None
ORO  A1338 ( 2.6A)
 0.82A 3el4B-1f76A:
undetectable		 3el4B-1f76A:
15.60
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.
1g3r CELL DIVISION
INHIBITOR

(Pyrococcus
furiosus) 		PF13614
(AAA_31) 		5 ALA A 130
VAL A   8
GLY A 134
ILE A   4
THR A  20
 None
 1.16A 3el4B-1g3rA:
undetectable		 3el4B-1g3rA:
20.22
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) 		7 ARG A   8
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.52A 3el4B-1hvcA:
14.3		 3el4B-1hvcA:
47.29
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) 		8 ARG A   8
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.49A 3el4B-1hvcA:
14.3		 3el4B-1hvcA:
47.29
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) 		7 ARG A   8
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
 0.66A 3el4B-1hvcA:
14.3		 3el4B-1hvcA:
47.29
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
ALA A  28
VAL A  32
GLY A  48
PRO A  81
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
 0.92A 3el4B-1hvcA:
14.3		 3el4B-1hvcA:
47.29
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.
1ion PROBABLE CELL
DIVISION INHIBITOR
MIND

(Pyrococcus
horikoshii) 		PF13614
(AAA_31) 		5 ALA A 130
VAL A   8
GLY A 134
ILE A   4
THR A  20
 None
 1.17A 3el4B-1ionA:
undetectable		 3el4B-1ionA:
13.58
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.
1mzg SUFE PROTEIN

(Escherichia
coli) 		PF02657
(SufE) 		5 ASP A  74
ALA A  75
ILE A  28
GLY A  80
ILE A  82
 None
 1.20A 3el4B-1mzgA:
undetectable		 3el4B-1mzgA:
20.14
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.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 ARG A 350
ALA A 356
VAL A 317
ILE A 268
GLY A 259
 None
 1.08A 3el4B-1o2dA:
undetectable		 3el4B-1o2dA:
13.75
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.
1rjb FL CYTOKINE RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 792
ILE A 921
GLY A 875
ILE A 876
PRO A 911
 None
 1.25A 3el4B-1rjbA:
undetectable		 3el4B-1rjbA:
14.83
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) 		6 ARG A   8
ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 None
 0.80A 3el4B-1sivA:
18.3		 3el4B-1sivA:
49.49
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.
1vdw HYPOTHETICAL PROTEIN
PH1897

(Pyrococcus
horikoshii) 		PF00459
(Inositol_P) 		5 ALA A 238
VAL A 224
ILE A 202
GLY A 205
ILE A 208
 None
 1.15A 3el4B-1vdwA:
undetectable		 3el4B-1vdwA:
17.51
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		5 ASP A 123
ALA A 124
ILE A 147
GLY A 221
THR A 151
 BGC  A 290 (-2.9A)
BGC  A 290 ( 3.7A)
None
None
PO4  A 280 (-3.5A)
 1.10A 3el4B-1woqA:
undetectable		 3el4B-1woqA:
19.10
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.
1xfg GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Escherichia
coli) 		PF13522
(GATase_6) 		5 ALA A 195
VAL A 199
ILE A  15
GLY A   5
ILE A 189
 None
 1.20A 3el4B-1xfgA:
undetectable		 3el4B-1xfgA:
15.42
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.
1zmr PHOSPHOGLYCERATE
KINASE

(Escherichia
coli) 		PF00162
(PGK) 		5 ASP A 342
VAL A 312
GLY A 216
ILE A 217
THR A 322
 None
 1.15A 3el4B-1zmrA:
undetectable		 3el4B-1zmrA:
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.
1zy9 ALPHA-GALACTOSIDASE

(Thermotoga
maritima) 		PF02065
(Melibiase) 		5 ALA A 358
GLY A 351
ILE A 352
PRO A 260
THR A 258
 None
 1.20A 3el4B-1zy9A:
undetectable		 3el4B-1zy9A:
11.89
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.
2aa4 PUTATIVE
N-ACETYLMANNOSAMINE
KINASE

(Escherichia
coli) 		PF00480
(ROK) 		5 ALA A 106
VAL A 133
ILE A 127
GLY A 240
THR A 131
 None
 1.05A 3el4B-2aa4A:
undetectable		 3el4B-2aa4A:
19.42
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.
2bgs ALDOSE REDUCTASE

(Hordeum vulgare) 		PF00248
(Aldo_ket_red) 		5 ARG A 252
VAL A 272
ILE A 270
GLY A  28
ILE A 257
 None
None
None
None
NDP  A1321 (-4.4A)
 1.22A 3el4B-2bgsA:
undetectable		 3el4B-2bgsA:
15.24
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.
2dyu FORMAMIDASE

(Helicobacter
pylori) 		PF00795
(CN_hydrolase) 		5 ALA A 118
ILE A  57
GLY A  99
ILE A 121
THR A  63
 None
 1.04A 3el4B-2dyuA:
undetectable		 3el4B-2dyuA:
14.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eb0 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Methanocaldococcus
jannaschii) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 VAL A 149
ILE A 256
GLY A 260
PRO A 154
THR A 155
 None
 1.08A 3el4B-2eb0A:
undetectable		 3el4B-2eb0A:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eo5 419AA LONG
HYPOTHETICAL
AMINOTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF00202
(Aminotran_3) 		5 ALA A 282
VAL A 327
ILE A 324
GLY A 320
ILE A 319
 None
 1.14A 3el4B-2eo5A:
undetectable		 3el4B-2eo5A:
13.72
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 ARG A   8
ASP A  25
ALA A  28
VAL A  32
ILE A  53
GLY A  55
PRO A  86
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.61A 3el4B-2fmbA:
15.3		 3el4B-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.
2iq1 PROTEIN PHOSPHATASE
2C KAPPA, PPM1K

(Homo sapiens) 		PF00481
(PP2C) 		5 ASP A 208
VAL A 206
ILE A 264
GLY A 187
THR A 261
 None
 1.10A 3el4B-2iq1A:
undetectable		 3el4B-2iq1A:
16.48
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.
2nlk PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, G
VARIANT (FRAGMENT)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ALA A1358
VAL A1393
ILE A1386
ILE A1221
PRO A1186
 None
 1.00A 3el4B-2nlkA:
undetectable		 3el4B-2nlkA:
11.05
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.
2pk0 SERINE/THREONINE
PROTEIN PHOSPHATASE
STP1

(Streptococcus
agalactiae) 		PF13672
(PP2C_2) 		5 ASP A 118
VAL A 116
ILE A 166
GLY A  98
THR A 163
 None
 1.19A 3el4B-2pk0A:
undetectable		 3el4B-2pk0A:
18.91
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.
2qne PUTATIVE
METHYLTRANSFERASE

(Desulfitobacterium
hafniense) 		PF06253
(MTTB) 		5 ALA A 253
GLY A  28
ILE A  27
PRO A 203
THR A 202
 None
 1.18A 3el4B-2qneA:
undetectable		 3el4B-2qneA:
12.40
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) 		6 ARG A   8
ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.43A 3el4B-2rkfA:
20.8		 3el4B-2rkfA:
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.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00657
(Lipase_GDSL) 		5 ARG A  16
ALA A 159
ILE A 327
ILE A 219
PRO A 214
 None
 1.16A 3el4B-2wabA:
undetectable		 3el4B-2wabA:
16.31
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.
2x8x TLR1789 PROTEIN

(Thermosynechococcus
elongatus) 		PF07244
(POTRA)
PF08479
(POTRA_2) 		5 VAL X 199
ILE X 185
GLY X 181
PRO X 203
THR X 202
 None
 1.20A 3el4B-2x8xX:
undetectable		 3el4B-2x8xX:
22.66
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.
3h4m PROTEASOME-ACTIVATIN
G NUCLEOTIDASE

(Methanocaldococcus
jannaschii) 		PF00004
(AAA) 		5 ALA A 221
VAL A 186
ILE A 207
GLY A 314
ILE A 269
 None
 1.26A 3el4B-3h4mA:
undetectable		 3el4B-3h4mA:
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.
3hjw PSEUDOURIDINE
SYNTHASE CBF5

(Pyrococcus
furiosus) 		PF01472
(PUA)
PF01509
(TruB_N)
PF08068
(DKCLD)
PF16198
(TruB_C_2) 		5 ALA A 320
VAL A 256
ILE A 292
GLY A 303
PRO A 254
 None
 1.21A 3el4B-3hjwA:
undetectable		 3el4B-3hjwA:
14.83
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'
DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ARG B 751
ALA B 998
ILE A 342
GLY A 440
ILE B 874
 None
 1.08A 3el4B-3hkzB:
undetectable		 3el4B-3hkzB:
7.15
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.
3jur EXO-POLY-ALPHA-D-GAL
ACTURONOSIDASE

(Thermotoga
maritima) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		5 ARG A 104
VAL A 193
ILE A 208
GLY A 240
PRO A 218
 None
 1.10A 3el4B-3jurA:
undetectable		 3el4B-3jurA:
12.70
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.
3k88 CHLOROPHENOL-4-MONOO
XYGENASE COMPONENT 1

(Burkholderia
cepacia) 		PF01613
(Flavin_Reduct) 		5 ASP A1133
ALA A1122
VAL A1036
ILE A1076
GLY A1080
 None
 1.26A 3el4B-3k88A:
undetectable		 3el4B-3k88A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lme POSSIBLE TRANSLATION
INITIATION INHIBITOR

(Rhodopseudomonas
palustris) 		PF01042
(Ribonuc_L-PSP) 		5 ALA A  91
GLY A  48
ILE A  31
PRO A  41
THR A  40
 None
 1.10A 3el4B-3lmeA:
undetectable		 3el4B-3lmeA:
21.21
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.
3m6i L-ARABINITOL
4-DEHYDROGENASE

(Neurospora
crassa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 199
VAL A 227
ILE A 209
GLY A 192
ILE A 194
 None
 1.23A 3el4B-3m6iA:
undetectable		 3el4B-3m6iA:
15.58
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) 		5 ASP A  25
ALA A  28
VAL A  32
GLY A  48
PRO A  81
 None
 0.83A 3el4B-3mwsA:
19.6		 3el4B-3mwsA:
75.76
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 ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.44A 3el4B-3mwsA:
19.6		 3el4B-3mwsA:
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 ALA A 420
VAL A 400
ILE A 380
GLY A 411
ILE A 425
 None
 1.24A 3el4B-3opyA:
undetectable		 3el4B-3opyA:
7.79
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.
3ors N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
MUTASE

(Staphylococcus
aureus) 		PF00731
(AIRC) 		5 ALA A  67
ILE A  86
GLY A  93
ILE A  94
THR A 111
 None
 0.94A 3el4B-3orsA:
undetectable		 3el4B-3orsA:
19.51
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
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.64A 3el4B-3t3cA:
18.7		 3el4B-3t3cA:
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		5 ALA A 846
VAL A 976
ILE A 839
GLY A 769
THR A 905
 None
 1.23A 3el4B-3tlmA:
undetectable		 3el4B-3tlmA:
6.56
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 ARG A   8
ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 0.50A 3el4B-3ttpA:
19.6		 3el4B-3ttpA:
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.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 5 ALA A  41
VAL A 301
ILE A  35
PRO A 143
THR A 142
 None
None
None
SO4  A 336 (-4.4A)
None
 1.02A 3el4B-3u4gA:
undetectable		 3el4B-3u4gA:
19.01
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
ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.56A 3el4B-3u7sA:
19.9		 3el4B-3u7sA:
79.80
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.
3vgl GLUCOKINASE

(Streptomyces
griseus) 		PF00480
(ROK) 		5 ASP A 105
ALA A 106
ILE A 128
GLY A 259
THR A 132
 BGC  A 324 (-3.0A)
BGC  A 324 ( 3.9A)
None
None
ANP  A 325 (-3.6A)
 1.20A 3el4B-3vglA:
undetectable		 3el4B-3vglA:
17.53
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.
4d1d HYDANTOIN TRANSPORT
PROTEIN

(Microbacterium
liquefaciens) 		PF02133
(Transp_cyt_pur) 		5 ALA A  94
ILE A 100
GLY A 102
ILE A 105
THR A 325
 None
 1.02A 3el4B-4d1dA:
undetectable		 3el4B-4d1dA:
10.93
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.
4d7e L-LYS MONOOXYGENASE

(Nocardia
farcinica) 		PF13434
(K_oxygenase) 		5 ASP A 329
VAL A 331
ILE A 305
GLY A 307
PRO A 186
 None
 1.19A 3el4B-4d7eA:
undetectable		 3el4B-4d7eA:
14.69
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.
4da1 PROTEIN PHOSPHATASE
1K, MITOCHONDRIAL

(Homo sapiens) 		PF00481
(PP2C) 		5 ASP A 208
VAL A 206
ILE A 264
GLY A 187
THR A 261
 None
 1.17A 3el4B-4da1A:
undetectable		 3el4B-4da1A:
13.16
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.
4ehj PHOSPHOGLYCERATE
KINASE

(Francisella
tularensis) 		PF00162
(PGK) 		5 ASP A 347
VAL A 317
GLY A 216
ILE A 217
THR A 327
 SO4  A 401 ( 4.6A)
SO4  A 401 ( 4.5A)
None
None
None
 1.05A 3el4B-4ehjA:
undetectable		 3el4B-4ehjA:
13.26
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.
4emb 2,3-BISPHOSPHOGLYCER
ATE-DEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Borreliella
burgdorferi) 		PF00300
(His_Phos_1) 		5 ALA A  66
VAL A  12
ILE A  73
ILE A  38
THR A 213
 None
 1.01A 3el4B-4embA:
undetectable		 3el4B-4embA:
18.95
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.
4gt6 CELL SURFACE PROTEIN

(Faecalibacterium
prausnitzii) 		PF13306
(LRR_5) 		5 VAL A 128
ILE A 104
ILE A  52
PRO A  98
THR A 100
 None
 1.22A 3el4B-4gt6A:
undetectable		 3el4B-4gt6A:
15.92
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.
4guc PROTEIN BA_2500

(Bacillus
anthracis) 		PF16723
(DUF5065) 		5 ALA A 138
VAL A  78
ILE A  80
ILE A  89
THR A 125
 None
 1.25A 3el4B-4gucA:
undetectable		 3el4B-4gucA:
24.80
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.
4j2q S-ARRESTIN

(Bos taurus) 		PF00339
(Arrestin_N)
PF02752
(Arrestin_C) 		5 ARG A 175
ASP A 146
ALA A  64
GLY A 322
ILE A 323
 None
 1.25A 3el4B-4j2qA:
undetectable		 3el4B-4j2qA:
14.80
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.
4mju NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ARG A 156
VAL A 161
GLY A 105
ILE A 106
PRO A 120
 None
 1.01A 3el4B-4mjuA:
undetectable		 3el4B-4mjuA:
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.
4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP

(Shewanella
oneidensis) 		PF03480
(DctP) 		5 ALA A  55
VAL A 248
ILE A 274
GLY A 277
ILE A 280
 None
 1.25A 3el4B-4mx6A:
undetectable		 3el4B-4mx6A:
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.
4n81 INOSITOL
MONOPHOSPHATASE

(Zymomonas
mobilis) 		PF00459
(Inositol_P) 		5 ASP A 210
ILE A 118
GLY A 102
ILE A  88
THR A 158
 SO4  A 301 (-3.7A)
None
None
None
None
 1.14A 3el4B-4n81A:
undetectable		 3el4B-4n81A:
16.80
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) 		9 ARG A   8
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
THR A  82
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.48A 3el4B-4njvA:
20.5		 3el4B-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) 		5 ASP A  25
ALA A  28
VAL A  32
GLY A  48
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.5A)
 0.80A 3el4B-4njvA:
20.5		 3el4B-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.
4o7m TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Shewanella
loihica) 		PF03480
(DctP) 		5 ALA A  52
VAL A 245
ILE A 271
GLY A 274
ILE A 277
 None
 1.19A 3el4B-4o7mA:
undetectable		 3el4B-4o7mA:
15.08
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.
4ofs PROBABLE LIPOAMIDE
ACYLTRANSFERASE

(Thermoplasma
acidophilum) 		PF00198
(2-oxoacid_dh) 		5 ALA A 114
VAL A  67
GLY A  61
ILE A 126
THR A 149
 None
 1.02A 3el4B-4ofsA:
undetectable		 3el4B-4ofsA:
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.
4qid BACTERIORHODOPSIN-I

(Haloquadratum
walsbyi) 		PF01036
(Bac_rhodopsin) 		5 ARG A 183
ALA A 223
ILE A  56
GLY A 228
ILE A 230
 ACT  A 303 (-3.4A)
RET  A 301 (-3.6A)
None
None
None
 1.07A 3el4B-4qidA:
undetectable		 3el4B-4qidA:
19.46
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.
4u0g ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2

(Mycobacterium
tuberculosis) 		PF00574
(CLP_protease) 		5 ALA A 169
VAL A 178
GLY A 198
ILE A 199
THR A 183
 None
 1.16A 3el4B-4u0gA:
undetectable		 3el4B-4u0gA:
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.
4xq6 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Mycobacterium
tuberculosis) 		PF01180
(DHO_dh) 		5 ALA A  65
ILE A 294
GLY A 316
ILE A 318
THR A 242
 FMN  A 401 (-3.3A)
None
None
None
CL  A 403 (-3.1A)
 0.90A 3el4B-4xq6A:
undetectable		 3el4B-4xq6A:
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.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ALA A 400
VAL A 355
ILE A 367
GLY A 336
PRO A 350
 None
 0.98A 3el4B-4xr9A:
undetectable		 3el4B-4xr9A:
13.59
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.
4xz8 NUCLEOPROTEIN

(Thiafora
orthonairovirus) 		PF02477
(Nairo_nucleo) 		5 ARG A 195
ASP A 199
ALA A 207
ILE A 216
GLY A 214
 None
 1.20A 3el4B-4xz8A:
undetectable		 3el4B-4xz8A:
12.83
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
ASP A  32
ALA A  35
VAL A  39
GLY A  58
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
 0.81A 3el4B-4ydfA:
13.2		 3el4B-4ydfA:
30.77
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.
4yzf BAND 3 ANION
TRANSPORT PROTEIN

(Homo sapiens) 		PF00955
(HCO3_cotransp) 		5 ALA A 767
VAL A 461
ILE A 412
ILE A 761
PRO A 458
 None
 0.90A 3el4B-4yzfA:
undetectable		 3el4B-4yzfA:
7.75
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ARG A2331
ALA A2682
VAL A2566
ILE A2503
GLY A2677
 None
 1.20A 3el4B-4z37A:
undetectable		 3el4B-4z37A:
10.24
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.
5bt8 PHOSPHOGLYCERATE
KINASE

(Acinetobacter
baumannii) 		PF00162
(PGK) 		5 ASP A 352
VAL A 322
GLY A 216
ILE A 217
THR A 332
 None
 1.23A 3el4B-5bt8A:
undetectable		 3el4B-5bt8A:
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.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ARG A 147
ALA A  93
ILE A  79
GLY A   7
ILE A   6
 None
 1.02A 3el4B-5d01A:
undetectable		 3el4B-5d01A:
13.26
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.
5dzt CYLM

(Enterococcus
faecalis) 		PF05147
(LANC_like)
PF13575
(DUF4135) 		5 ALA A 770
VAL A 798
ILE A 795
GLY A 744
PRO A 749
 None
 1.08A 3el4B-5dztA:
undetectable		 3el4B-5dztA:
6.96
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.
5erp DESMOCOLLIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		5 VAL A 383
GLY A 429
ILE A 409
PRO A 379
THR A 380
 None
NAG  A 806 ( 4.5A)
NAG  A 806 (-3.5A)
None
None
 1.13A 3el4B-5erpA:
undetectable		 3el4B-5erpA:
11.37
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.
5gjj HEAT SHOCK 70 KDA
PROTEIN 1A

(Homo sapiens) 		PF00012
(HSP70) 		5 ALA A 106
VAL A  54
ILE A  80
ILE A  43
THR A  21
 None
 1.02A 3el4B-5gjjA:
undetectable		 3el4B-5gjjA:
15.69
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.
5gkx UNCHARACTERIZED
PROTEIN

(Thermococcus
onnurineus) 		PF14336
(DUF4392) 		5 ALA A 182
VAL A  15
ILE A 167
GLY A 163
ILE A 162
 None
 1.13A 3el4B-5gkxA:
undetectable		 3el4B-5gkxA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6s ENDOGLUCANASE

(Talaromyces
verruculosus) 		PF00150
(Cellulase) 		5 ARG A  65
VAL A  86
ILE A  46
GLY A 285
PRO A  60
 None
 1.24A 3el4B-5i6sA:
undetectable		 3el4B-5i6sA:
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.
5ize RNA-DIRECTED RNA
POLYMERASE L

(Hantaan
orthohantavirus) 		no annotation 5 ALA A  90
GLY A 131
ILE A 135
PRO A  96
THR A  95
 None
 1.11A 3el4B-5izeA:
undetectable		 3el4B-5izeA:
24.73
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.
5jb3 30S RIBOSOMAL
PROTEIN S3

(Pyrococcus
abyssi) 		PF00189
(Ribosomal_S3_C)
PF07650
(KH_2) 		5 ARG Z  13
ILE Z  62
ILE Z  68
PRO Z  78
THR Z  42
 None
 0.99A 3el4B-5jb3Z:
undetectable		 3el4B-5jb3Z:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 VAL A 331
ILE A 320
GLY A 478
ILE A 434
THR A 336
 None
 1.05A 3el4B-5jcfA:
undetectable		 3el4B-5jcfA:
9.06
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.
5jsc PUTATIVE ACYL-COA
DEHYDROGENASE

(Paraburkholderia
xenovorans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ARG A 232
ALA A 196
VAL A 198
ILE A 111
GLY A 115
 None
 1.25A 3el4B-5jscA:
undetectable		 3el4B-5jscA:
12.66
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.
5l0z PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY

(Sinorhizobium
meliloti) 		PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind) 		5 ARG A 278
ALA A 138
VAL A 209
ILE A 128
PRO A 229
 None
 1.04A 3el4B-5l0zA:
undetectable		 3el4B-5l0zA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 2

(Sus scrofa) 		no annotation 5 ALA A 846
VAL A 976
ILE A 839
GLY A 769
THR A 905
 None
 1.24A 3el4B-5mpmA:
undetectable		 3el4B-5mpmA:
19.00
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF03814
(KdpA) 		5 ALA A 150
VAL A 500
ILE A 497
GLY A 144
ILE A 145
 None
 1.15A 3el4B-5mrwA:
undetectable		 3el4B-5mrwA:
10.68
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 5 ALA A 811
VAL A 797
ILE A 787
GLY A 870
ILE A 869
 None
 1.25A 3el4B-5n4lA:
undetectable		 3el4B-5n4lA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n6m APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00795
(CN_hydrolase) 		5 ALA A 271
VAL A 404
ILE A 318
ILE A 265
THR A 443
 None
 1.25A 3el4B-5n6mA:
undetectable		 3el4B-5n6mA:
9.46
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.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B

(Cynara
cardunculus) 		no annotation 5 ARG A 104
ASP A 167
ALA A  76
GLY A  67
ILE A  68
 None
 1.23A 3el4B-5nfgA:
7.0		 3el4B-5nfgA:
14.05
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
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.39A 3el4B-5t2zA:
20.0		 3el4B-5t2zA:
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.
5t81 EPOB

(Sorangium
cellulosum) 		PF00668
(Condensation) 		5 ASP A 464
VAL A 466
ILE A 283
GLY A  94
ILE A  95
 None
 1.26A 3el4B-5t81A:
undetectable		 3el4B-5t81A:
10.52
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.
5tv1 BETA-ARRESTIN-2

(Bos taurus) 		no annotation 5 ARG A 170
ASP A 144
ALA A  61
GLY A 317
ILE A 318
 None
 1.17A 3el4B-5tv1A:
undetectable		 3el4B-5tv1A:
14.47
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.
5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2

(Arabidopsis
thaliana) 		no annotation 5 ILE A  14
GLY A  12
ILE A 279
PRO A 289
THR A 304
 None
 1.24A 3el4B-5vjwA:
undetectable		 3el4B-5vjwA:
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.
5wso NS3 HELICASE

(Pestivirus A) 		no annotation 5 ARG A 408
ALA A 415
VAL A 403
ILE A 387
PRO A 406
 None
 1.12A 3el4B-5wsoA:
undetectable		 3el4B-5wsoA:
28.04
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF00374
(NiFeSe_Hases)
PF10588
(NADH-G_4Fe-4S_3)
PF13459
(Fer4_15)
PF13510
(Fer2_4) 		5 ALA D 187
VAL D  85
ILE D 174
GLY D 179
ILE B 222
 None
 1.25A 3el4B-5xfaD:
undetectable		 3el4B-5xfaD:
12.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 5 ALA A 315
VAL A 103
ILE A  74
GLY A  91
THR A 101
 None
 1.18A 3el4B-5xgwA:
undetectable		 3el4B-5xgwA:
23.23
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.
5xvi GLUTAMATE
DEHYDROGENASE

(Aspergillus
niger) 		no annotation 5 ARG A  34
ALA A 450
VAL A  40
GLY A 445
ILE A 443
 None
 1.19A 3el4B-5xviA:
undetectable		 3el4B-5xviA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 ALA C 217
VAL C 272
ILE C 240
ILE C 254
PRO C 229
 None
 1.26A 3el4B-5y6qC:
undetectable		 3el4B-5y6qC:
22.45
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 ARG A   8
ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.90A 3el4B-6upjA:
18.2		 3el4B-6upjA:
48.48