SIMILAR PATTERNS OF AMINO ACIDS FOR 3S56_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.
1e5u INTIMIN

(Escherichia
coli) 		PF02368
(Big_2)
PF07979
(Intimin_C) 		5 LEU I  20
ASP I   5
GLY I  58
ILE I  11
ILE I   9
 None
 1.13A 3s56B-1e5uI:
undetectable		 3s56B-1e5uI:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 LEU A 334
GLY A 225
PRO A 538
ILE A 539
ILE A 337
 None
 1.12A 3s56B-1ebvA:
undetectable		 3s56B-1ebvA:
11.98
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 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 1.34A 3s56B-1hvcA:
14.1		 3s56B-1hvcA:
45.32
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 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 1.36A 3s56B-1hvcA:
14.1		 3s56B-1hvcA:
45.32
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
LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.57A 3s56B-1hvcA:
14.1		 3s56B-1hvcA:
45.32
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
LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.55A 3s56B-1hvcA:
14.1		 3s56B-1hvcA:
45.32
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 ARG A   8
LEU A  23
ASP A  30
ILE A  84
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 1.01A 3s56B-1hvcA:
14.1		 3s56B-1hvcA:
45.32
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 LEU A  23
ASP A  25
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.92A 3s56B-1hvcA:
14.1		 3s56B-1hvcA:
45.32
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.
1j3u ASPARTASE

(Bacillus sp.
YM55-1) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 LEU A 295
ASP A 294
GLY A 185
ILE A 195
ILE A 309
 None
 1.04A 3s56B-1j3uA:
undetectable		 3s56B-1j3uA:
13.44
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		5 GLY A 139
ILE A 183
PRO A 235
ILE A 242
ILE A 237
 None
 1.10A 3s56B-1k32A:
undetectable		 3s56B-1k32A:
6.59
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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 LEU A 319
ILE A 302
PRO A 337
ILE A 338
ILE A 322
 None
 0.88A 3s56B-1s5jA:
undetectable		 3s56B-1s5jA:
9.23
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.
1s5p NAD-DEPENDENT
DEACETYLASE

(Escherichia
coli) 		PF02146
(SIR2) 		5 ARG A 137
LEU A  99
GLY A  50
ILE A  51
ILE A 104
 None
 1.11A 3s56B-1s5pA:
undetectable		 3s56B-1s5pA:
22.75
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
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 None
 1.28A 3s56B-1sivA:
17.8		 3s56B-1sivA:
53.54
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 ARG A   8
LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.75A 3s56B-1sivA:
17.8		 3s56B-1sivA:
53.54
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  48
PRO A  81
ILE A  82
ILE A  84
 None
 0.80A 3s56B-1sivA:
17.8		 3s56B-1sivA:
53.54
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 LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
ILE A  82
ILE A  84
 None
 1.32A 3s56B-1sivA:
17.8		 3s56B-1sivA:
53.54
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 LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  82
ILE A  84
 None
 0.79A 3s56B-1sivA:
17.8		 3s56B-1sivA:
53.54
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.
1w66 LIPOYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF03099
(BPL_LplA_LipB) 		5 LEU A  96
GLY A 147
ILE A 146
PRO A  92
ILE A  94
 None
DKA  A 301 (-4.0A)
None
None
None
 1.04A 3s56B-1w66A:
undetectable		 3s56B-1w66A:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wg6 HYPOTHETICAL PROTEIN
(RIKEN CDNA
2810455B10)

(Mus musculus) 		PF00595
(PDZ) 		5 LEU A 116
GLY A  66
ILE A  63
ILE A 114
ILE A  29
 None
 1.09A 3s56B-1wg6A:
undetectable		 3s56B-1wg6A:
21.88
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.
1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ASP A 256
ILE A 214
PRO A 204
ILE A 202
ILE A  17
 None
 1.08A 3s56B-1wl4A:
undetectable		 3s56B-1wl4A:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		5 LEU A 190
ASP A  50
GLY A 251
ILE A 247
ILE A 260
 None
 1.09A 3s56B-1zg4A:
undetectable		 3s56B-1zg4A:
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		5 ASP A 275
GLY A 233
ILE A 232
PRO A 250
ILE A 252
 None
 1.11A 3s56B-2b5mA:
undetectable		 3s56B-2b5mA:
6.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cja SERYL-TRNA
SYNTHETASE

(Methanosarcina
barkeri) 		no annotation 5 LEU A 152
ASP A 108
GLY A 127
ILE A 125
ILE A 156
 None
 1.01A 3s56B-2cjaA:
undetectable		 3s56B-2cjaA:
11.00
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.
2ddu REELIN

(Mus musculus) 		no annotation 5 LEU A1302
GLY A1338
PRO A1377
ILE A1376
ILE A1374
 None
 0.99A 3s56B-2dduA:
undetectable		 3s56B-2dduA:
13.78
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) 		6 ARG A   8
LEU A  23
ASP A  25
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.41A 3s56B-2fmbA:
14.9		 3s56B-2fmbA:
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.
2gl5 PUTATIVE DEHYDRATASE
PROTEIN

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  60
GLY A  40
ILE A 102
ILE A  56
ILE A  57
 None
 1.11A 3s56B-2gl5A:
undetectable		 3s56B-2gl5A:
15.38
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 LEU A 396
GLY A  46
PRO A   9
ILE A  10
ILE A 397
 None
 1.05A 3s56B-2i4nA:
undetectable		 3s56B-2i4nA:
13.63
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.
2izo FLAP
STRUCTURE-SPECIFIC
ENDONUCLEASE

(Sulfolobus
solfataricus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		5 LEU A 308
GLY A 140
ILE A 141
ILE A 307
ILE A 304
 None
 1.10A 3s56B-2izoA:
undetectable		 3s56B-2izoA:
15.32
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.
2pg8 DPGC

(Streptomyces
toyocaensis) 		PF00378
(ECH_1) 		5 LEU A 240
GLY A 327
ILE A 325
ILE A 245
ILE A 235
 None
YE1  A 997 (-3.4A)
None
None
YE1  A 997 (-3.3A)
 1.12A 3s56B-2pg8A:
undetectable		 3s56B-2pg8A:
14.14
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
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 1.30A 3s56B-2rkfA:
20.3		 3s56B-2rkfA:
84.85
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 ARG A   8
LEU A  23
ASP A  25
ASP A  30
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 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.47A 3s56B-2rkfA:
20.3		 3s56B-2rkfA:
84.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22)
PF01163
(RIO1) 		5 ASP A 467
GLY A 471
ILE A 448
ILE A 396
ILE A 465
 None
 0.98A 3s56B-2vwbA:
undetectable		 3s56B-2vwbA:
13.32
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.
2yvt HYPOTHETICAL PROTEIN
AQ_1956

(Aquifex
aeolicus) 		PF14582
(Metallophos_3) 		5 GLY A 138
ILE A 179
PRO A 213
ILE A 208
ILE A 207
 None
 1.12A 3s56B-2yvtA:
undetectable		 3s56B-2yvtA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ze5 ISOPENTENYL
TRANSFERASE

(Agrobacterium
tumefaciens) 		PF01745
(IPT) 		5 LEU A 203
ASP A 173
GLY A  44
ILE A 204
ILE A 207
 None
AMP  A 401 (-4.0A)
None
None
None
 1.10A 3s56B-2ze5A:
undetectable		 3s56B-2ze5A:
21.46
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.
3duz MAJOR ENVELOPE
GLYCOPROTEIN

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF03273
(Baculo_gp64) 		5 LEU A 102
GLY A 438
ILE A 442
ILE A 212
ILE A  65
 None
 0.95A 3s56B-3duzA:
undetectable		 3s56B-3duzA:
12.31
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.
3e2s PROLINE
DEHYDROGENASE

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 LEU A 479
GLY A 400
ILE A 399
ILE A 418
ILE A 480
 None
 1.04A 3s56B-3e2sA:
undetectable		 3s56B-3e2sA:
12.71
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.
3gla LOW MOLECULAR WEIGHT
HEAT SHOCK PROTEIN

(Xanthomonas
citri) 		PF00011
(HSP20) 		5 ASP A 118
GLY A  76
ILE A  77
ILE A 131
ILE A 120
 None
 0.91A 3s56B-3glaA:
undetectable		 3s56B-3glaA:
24.11
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.
3h2z MANNITOL-1-PHOSPHATE
5-DEHYDROGENASE

(Shigella
flexneri) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		5 ARG A 106
LEU A 103
ILE A 118
ILE A  77
ILE A  99
 None
 0.92A 3s56B-3h2zA:
undetectable		 3s56B-3h2zA:
12.43
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.
3hvu HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Bacillus
anthracis) 		PF00156
(Pribosyltran) 		5 LEU A  37
ASP A  63
ILE A  82
ILE A  95
ILE A  39
 None
 0.99A 3s56B-3hvuA:
undetectable		 3s56B-3hvuA:
19.23
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.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 LEU A 160
GLY A 185
ILE A 186
ILE A 178
ILE A 215
 None
 0.95A 3s56B-3igoA:
undetectable		 3s56B-3igoA:
9.75
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.
3k4h PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Bacillus
cytotoxicus) 		PF13377
(Peripla_BP_3) 		5 LEU A  88
GLY A  99
ILE A  98
ILE A  84
ILE A  85
 None
MAL  A 501 (-3.3A)
MAL  A 501 (-4.8A)
None
None
 0.95A 3s56B-3k4hA:
undetectable		 3s56B-3k4hA:
17.06
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.
3mi6 ALPHA-GALACTOSIDASE

(Lactobacillus
brevis) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 LEU A  14
ASP A 130
GLY A 113
ILE A 160
ILE A 153
 None
 1.09A 3s56B-3mi6A:
undetectable		 3s56B-3mi6A:
9.53
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
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 None
 0.84A 3s56B-3mwsA:
19.3		 3s56B-3mwsA:
76.77
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 LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 1.19A 3s56B-3mwsA:
19.3		 3s56B-3mwsA:
76.77
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 LEU A  23
ASP A  25
ASP A  30
PRO A  81
ILE A  84
 None
 0.58A 3s56B-3mwsA:
19.3		 3s56B-3mwsA:
76.77
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 LEU A  23
ASP A  25
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.47A 3s56B-3mwsA:
19.3		 3s56B-3mwsA:
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.
3o03 DEHYDROGENASE WITH
DIFFERENT
SPECIFICITIES

(Streptococcus
suis) 		PF13561
(adh_short_C2) 		5 LEU A 235
ASP A 234
GLY A 260
ILE A 261
ILE A 191
 None
 0.97A 3s56B-3o03A:
undetectable		 3s56B-3o03A:
17.39
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.
3o4l T-CELL RECEPTOR,
ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		5 LEU D  75
ASP D  79
GLY D  83
ILE D  21
ILE D  77
 None
 0.94A 3s56B-3o4lD:
undetectable		 3s56B-3o4lD:
15.71
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 ARG B 343
LEU B 408
ILE B 541
ILE B 405
ILE B 409
 CL  B1131 (-3.8A)
None
None
None
None
 1.04A 3s56B-3p8cB:
undetectable		 3s56B-3p8cB:
6.87
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.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 LEU A 152
GLY A 177
ILE A 178
ILE A 170
ILE A 207
 None
 1.07A 3s56B-3q5iA:
undetectable		 3s56B-3q5iA:
11.31
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.
3rza TRIPEPTIDASE

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ASP A  81
GLY A  54
PRO A  29
ILE A  30
ILE A  27
 None
CA  A 405 ( 4.5A)
None
None
None
 1.00A 3s56B-3rzaA:
undetectable		 3s56B-3rzaA:
15.04
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.
3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Streptococcus
mutans) 		PF00195
(Chal_sti_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 LEU A 342
GLY A 144
ILE A 145
ILE A 350
ILE A  44
 None
 1.11A 3s56B-3sqzA:
undetectable		 3s56B-3sqzA:
13.41
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) 		6 LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.73A 3s56B-3t3cA:
18.4		 3s56B-3t3cA:
72.73
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
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 1.23A 3s56B-3ttpA:
19.2		 3s56B-3ttpA:
78.79
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 ARG A   8
LEU A  23
ASP A  25
ASP A  30
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 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.65A 3s56B-3ttpA:
19.2		 3s56B-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.
3u02 PUTATIVE
TRANSCRIPTION-ASSOCI
ATED PROTEIN TFIIS

(Pyrococcus
furiosus) 		PF08489
(DUF1743) 		6 ARG A  81
ASP A   8
GLY A  22
ILE A  24
ILE A  77
ILE A  95
 None
None
TPO  A  18 ( 3.7A)
None
None
None
 1.50A 3s56B-3u02A:
undetectable		 3s56B-3u02A:
17.60
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.
3u5u RAUCAFFRICINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 LEU A 404
ASP A 448
GLY A 422
ILE A 403
ILE A 400
 None
 1.02A 3s56B-3u5uA:
undetectable		 3s56B-3u5uA:
11.26
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) 		6 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 1.32A 3s56B-3u7sA:
19.5		 3s56B-3u7sA:
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
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.50A 3s56B-3u7sA:
19.5		 3s56B-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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 ASP A 229
ASP A 755
GLY A 748
ILE A 227
ILE A 228
 None
 1.10A 3s56B-3ummA:
undetectable		 3s56B-3ummA:
6.09
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.
4asy GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Pseudomonas
aeruginosa) 		PF00483
(NTP_transferase) 		5 LEU A  43
ASP A  76
ILE A  99
ILE A   7
ILE A  51
 None
 1.05A 3s56B-4asyA:
undetectable		 3s56B-4asyA:
17.89
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.
4hly K9

(Human
gammaherpesvirus
8) 		PF00605
(IRF) 		5 LEU A  82
GLY A  61
ILE A  57
ILE A  10
ILE A   6
 None
 1.06A 3s56B-4hlyA:
undetectable		 3s56B-4hlyA:
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.
4hxx METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 LEU A 265
GLY A 304
ILE A 305
ILE A 269
ILE A 335
 None
 1.08A 3s56B-4hxxA:
undetectable		 3s56B-4hxxA:
13.44
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.
4i4i 6-PHOSPHOFRUCTOKINAS
E

(Geobacillus
stearothermophilus) 		PF00365
(PFK) 		5 ASP A  12
GLY A 102
ILE A 130
ILE A 176
ILE A 126
 None
 1.10A 3s56B-4i4iA:
undetectable		 3s56B-4i4iA:
15.31
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.
4iu6 METHIONINE
AMINOPEPTIDASE 1

(Homo sapiens) 		PF00557
(Peptidase_M24) 		5 LEU A 265
GLY A 304
ILE A 305
ILE A 269
ILE A 335
 None
 1.11A 3s56B-4iu6A:
undetectable		 3s56B-4iu6A:
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 ASP A 346
GLY A 390
ILE A 313
ILE A 218
ILE A 220
 None
 1.00A 3s56B-4j3bA:
undetectable		 3s56B-4j3bA:
6.59
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 5 LEU E 336
GLY E  19
ILE E  17
ILE E 316
ILE E 335
 None
FAD  E 505 (-3.2A)
None
None
None
 1.01A 3s56B-4kprE:
undetectable		 3s56B-4kprE:
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.
4lc3 PUTATIVE
UDP-4-AMINO-4-DEOXY-
L-ARABINOSE--OXOGLUT
ARATE
AMINOTRANSFERASE

(Burkholderia
cenocepacia) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A  65
GLY A 176
PRO A 131
ILE A 130
ILE A 156
 None
 1.01A 3s56B-4lc3A:
undetectable		 3s56B-4lc3A:
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.
4lob POLYPRENYL
SYNTHETASE

(Acinetobacter
baumannii) 		PF00348
(polyprenyl_synt) 		5 ASP A 129
GLY A  27
ILE A  28
ILE A  77
ILE A  76
 None
 0.92A 3s56B-4lobA:
undetectable		 3s56B-4lobA:
17.38
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.
4mio INOSITOL
2-DEHYDROGENASE/D-CH
IRO-INOSITOL
3-DEHYDROGENASE

(Lactobacillus
casei) 		PF01408
(GFO_IDH_MocA) 		5 LEU A 174
GLY A 307
ILE A 309
ILE A 170
ILE A 175
 None
 0.91A 3s56B-4mioA:
undetectable		 3s56B-4mioA:
18.66
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) 		6 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.30A 3s56B-4njvA:
20.3		 3s56B-4njvA:
82.83
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) 		6 ARG A   8
LEU A  23
ASP A  25
ASP A  30
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.72A 3s56B-4njvA:
20.3		 3s56B-4njvA:
82.83
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
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.52A 3s56B-4njvA:
20.3		 3s56B-4njvA:
82.83
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
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.76A 3s56B-4njvA:
20.3		 3s56B-4njvA:
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.
4o8a BIFUNCTIONAL PROTEIN
PUTA

(Escherichia
coli) 		PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 LEU A 479
GLY A 400
ILE A 399
ILE A 418
ILE A 480
 None
 1.09A 3s56B-4o8aA:
undetectable		 3s56B-4o8aA:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 LEU A 335
GLY A 226
PRO A 539
ILE A 540
ILE A 338
 None
 1.10A 3s56B-4ph9A:
undetectable		 3s56B-4ph9A:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 ASP A 461
GLY A 377
ILE A 369
ILE A 444
ILE A 478
 None
 1.12A 3s56B-4r1dA:
undetectable		 3s56B-4r1dA:
12.21
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.
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 LEU A  45
ASP A  52
GLY A  63
ILE A  62
ILE A  49
 None
 0.88A 3s56B-4tnbA:
undetectable		 3s56B-4tnbA:
13.91
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.
4xz6 GLYCINE
BETAINE/PROLINE ABC
TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF04069
(OpuAC) 		5 ASP A  46
GLY A  93
PRO A  51
ILE A  50
ILE A  48
 None
 0.99A 3s56B-4xz6A:
undetectable		 3s56B-4xz6A:
15.02
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)
 0.56A 3s56B-4ydfA:
12.9		 3s56B-4ydfA:
33.04
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.
5czz CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Staphylococcus
aureus) 		PF13395
(HNH_4)
PF16592
(Cas9_REC) 		5 LEU A   9
ASP A 648
GLY A 655
ILE A 474
ILE A 476
 None
 1.02A 3s56B-5czzA:
undetectable		 3s56B-5czzA:
7.46
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.
5dzz DESMOPLAKIN

(Homo sapiens) 		PF00681
(Plectin) 		5 ASP A2060
GLY A2020
ILE A2018
ILE A2086
ILE A2058
 None
 1.00A 3s56B-5dzzA:
undetectable		 3s56B-5dzzA:
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.
5fmg PROTEASOME SUBUNIT
ALPHA TYPE 2,
PUTATIVE

(Plasmodium
falciparum) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 LEU B  87
GLY B 211
ILE B 221
ILE B  68
ILE B  74
 None
 1.11A 3s56B-5fmgB:
undetectable		 3s56B-5fmgB:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		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)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASP B1101
GLY B 977
ILE B 976
ILE A 370
ILE B1103
 None
 1.06A 3s56B-5ip9B:
undetectable		 3s56B-5ip9B:
6.03
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) 		6 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 None
 1.27A 3s56B-5t2zA:
19.6		 3s56B-5t2zA:
78.79
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
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.58A 3s56B-5t2zA:
19.6		 3s56B-5t2zA:
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.
5vxl INVASIN IPAD

(Shigella
flexneri) 		PF06511
(IpaD) 		5 LEU A 202
GLY A 235
ILE A 234
PRO A 252
ILE A 253
 None
 1.11A 3s56B-5vxlA:
undetectable		 3s56B-5vxlA:
17.25
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.
5w3w ARYLDIALKYLPHOSPHATA
SE

(Sulfolobus
solfataricus) 		no annotation 5 ARG A 235
ASP A 249
ILE A 197
ILE A 253
ILE A 251
 None
 1.11A 3s56B-5w3wA:
undetectable		 3s56B-5w3wA:
24.53
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.
5wxu 11S GLOBULIN

(Wrightia
tinctoria) 		no annotation 5 LEU A 162
GLY A 111
ILE A 112
ILE A 295
ILE A 160
 None
None
None
FLC  A 503 (-3.9A)
None
 1.11A 3s56B-5wxuA:
undetectable		 3s56B-5wxuA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x1t PPKA-294

(Serratia sp.
FS14) 		no annotation 5 LEU A 126
ASP A 183
ILE A 153
PRO A 179
ILE A 173
 None
 1.05A 3s56B-5x1tA:
undetectable		 3s56B-5x1tA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		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)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ASP B1101
GLY B 977
ILE B 976
ILE A 371
ILE B1103
 None
 0.95A 3s56B-5xogB:
undetectable		 3s56B-5xogB:
6.13
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 5 LEU A 629
ASP A 101
GLY A 433
ILE A 412
ILE A 634
 None
 1.06A 3s56B-5y9dA:
undetectable		 3s56B-5y9dA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE

(Elizabethkingia
anophelis) 		no annotation 5 LEU A 348
ASP A 352
GLY A 320
ILE A 334
ILE A 375
 None
 1.00A 3s56B-6bzcA:
undetectable		 3s56B-6bzcA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g9o VOLUME-REGULATED
ANION CHANNEL
SUBUNIT LRRC8A

(Mus musculus) 		no annotation 5 LEU A 669
ILE A 606
PRO A 655
ILE A 654
ILE A 651
 None
 0.97A 3s56B-6g9oA:
undetectable		 3s56B-6g9oA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 5 LEU A 820
ASP A 876
ILE A 903
ILE A 891
ILE A 886
 None
 1.05A 3s56B-6gh2A:
undetectable		 3s56B-6gh2A:
21.21
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) 		7 ARG A   8
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.90A 3s56B-6upjA:
17.7		 3s56B-6upjA:
52.53
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
ASP A  30
PRO A  81
ILE A  82
ILE A  84
 None
NIU  A 100 (-2.8A)
None
None
NIU  A 100 (-4.6A)
None
 1.10A 3s56B-6upjA:
17.7		 3s56B-6upjA:
52.53
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 ASP A  30
GLY A  48
PRO A  81
ILE A  82
ILE A  84
 None
None
None
NIU  A 100 (-4.6A)
None
 0.84A 3s56B-6upjA:
17.7		 3s56B-6upjA:
52.53
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) 		7 LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.75A 3s56B-6upjA:
17.7		 3s56B-6upjA:
52.53
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
ASP A  30
PRO A  81
ILE A  82
ILE A  84
 None
NIU  A 100 (-2.8A)
None
None
NIU  A 100 (-4.6A)
None
 0.88A 3s56B-6upjA:
17.7		 3s56B-6upjA:
52.53