SIMILAR PATTERNS OF AMINO ACIDS FOR 3EL9_A_DR7A100

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.
1cij PROTEIN (HALOALKANE
DEHALOGENASE)

(Xanthobacter
autotrophicus) 		PF00561
(Abhydrolase_1) 		4 ALA A 149
ASP A 124
GLY A 264
PRO A 281
 None
BR  A 401 ( 4.8A)
None
None
 0.86A 3el9A-1cijA:
undetectable		 3el9A-1cijA:
15.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cp2 NITROGENASE IRON
PROTEIN

(Clostridium
pasteurianum) 		PF00142
(Fer4_NifH) 		4 ASP A  38
ALA A  41
ILE A  12
THR A  18
 None
 0.85A 3el9A-1cp2A:
undetectable		 3el9A-1cp2A:
17.78
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 ALA A 168
GLY A 546
PRO A 365
THR A 366
 FUM  A 700 (-3.8A)
FUM  A 700 (-3.6A)
None
None
 0.75A 3el9A-1d4eA:
undetectable		 3el9A-1d4eA:
10.36
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) 		4 ALA A  28
ASP A  29
GLY A  48
PRO A  81
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
 0.77A 3el9A-1hvcA:
14.5		 3el9A-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
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.56A 3el9A-1hvcA:
14.5		 3el9A-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
ASP A  29
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 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.52A 3el9A-1hvcA:
14.5		 3el9A-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) 		4 GLY A  51
ILE A  50
PRO A  81
THR A  80
 None
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
None
 0.85A 3el9A-1hvcA:
14.5		 3el9A-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.
1i8a ENDO-1,4-BETA-XYLANA
SE A

(Thermotoga
maritima) 		PF06452
(CBM9_1) 		4 ASP A 177
ASP A  81
PRO A 170
THR A 171
 None
CA  A 190 (-3.1A)
None
None
 0.80A 3el9A-1i8aA:
undetectable		 3el9A-1i8aA:
21.43
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.
1i8a ENDO-1,4-BETA-XYLANA
SE A

(Thermotoga
maritima) 		PF06452
(CBM9_1) 		4 ASP A 177
GLY A 182
PRO A 170
THR A 171
 None
 0.84A 3el9A-1i8aA:
undetectable		 3el9A-1i8aA:
21.43
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.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		4 ARG A 298
ALA A 287
GLY A 244
ILE A 243
 None
 0.85A 3el9A-1kczA:
undetectable		 3el9A-1kczA:
14.36
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 ALA A 169
GLY A 546
PRO A 366
THR A 367
 FUM  A3001 (-4.0A)
FUM  A3001 (-3.3A)
None
None
 0.71A 3el9A-1m64A:
undetectable		 3el9A-1m64A:
11.73
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.
1nqz COA PYROPHOSPHATASE
(MUTT/NUDIX FAMILY
PROTEIN)

(Deinococcus
radiodurans) 		PF00293
(NUDIX) 		4 ASP A  14
ALA A  17
GLY A 112
PRO A   7
 None
 0.86A 3el9A-1nqzA:
undetectable		 3el9A-1nqzA:
18.52
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.
1ptj NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA PART 1

(Rhodospirillum
rubrum) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		4 ALA A 191
GLY A 152
ILE A 291
THR A 258
 None
 0.83A 3el9A-1ptjA:
undetectable		 3el9A-1ptjA:
14.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		4 ASP A  25
ALA A  28
ASP A  29
PRO A  81
 None
 0.68A 3el9A-1q9pA:
10.4		 3el9A-1q9pA:
89.47
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) 		4 ARG A   8
GLY A  49
ILE A  50
PRO A  81
 None
 0.54A 3el9A-1sivA:
18.3		 3el9A-1sivA:
48.48
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 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 0.51A 3el9A-1sivA:
18.3		 3el9A-1sivA:
48.48
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) 		4 GLY A  51
ILE A  50
PRO A  81
THR A  80
 None
 0.85A 3el9A-1sivA:
18.3		 3el9A-1sivA:
48.48
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.
1srv PROTEIN (GROEL
(HSP60 CLASS))

(Thermus
thermophilus) 		PF00118
(Cpn60_TCP1) 		4 ALA A 218
ASP A 217
GLY A 334
THR A 330
 None
 0.67A 3el9A-1srvA:
undetectable		 3el9A-1srvA:
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.
1srv PROTEIN (GROEL
(HSP60 CLASS))

(Thermus
thermophilus) 		PF00118
(Cpn60_TCP1) 		4 ALA A 218
ASP A 217
GLY A 335
THR A 330
 None
 0.43A 3el9A-1srvA:
undetectable		 3el9A-1srvA:
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.
1uuf ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN YAHK

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A 219
ASP A 220
GLY A 179
THR A 205
 None
 0.86A 3el9A-1uufA:
undetectable		 3el9A-1uufA:
14.09
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		4 ARG A 770
ALA A 743
GLY A 766
ILE A 767
 None
 0.80A 3el9A-1vrqA:
undetectable		 3el9A-1vrqA:
6.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		4 ALA A 126
GLY A 302
ILE A 304
PRO A 258
 None
 0.83A 3el9A-1zz3A:
undetectable		 3el9A-1zz3A:
13.21
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.
2bbk METHYLAMINE
DEHYDROGENASE (HEAVY
SUBUNIT)

(Paracoccus
denitrificans) 		PF06433
(Me-amine-dh_H) 		4 ALA H 370
ASP H 371
ILE H 367
PRO H  70
 None
 0.82A 3el9A-2bbkH:
undetectable		 3el9A-2bbkH:
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.
2d7d UVRABC SYSTEM
PROTEIN B

(Bacillus
subtilis) 		PF00271
(Helicase_C)
PF02151
(UVR)
PF04851
(ResIII)
PF12344
(UvrB) 		4 ALA A 371
GLY A 305
ILE A 306
THR A 290
 None
 0.84A 3el9A-2d7dA:
undetectable		 3el9A-2d7dA:
9.92
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
ASP A  25
ALA A  28
ASP A  29
GLY A  55
PRO A  86
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.45A 3el9A-2fmbA:
15.0		 3el9A-2fmbA:
32.69
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.
2g39 ACETYL-COA HYDROLASE

(Pseudomonas
aeruginosa) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 ASP A 196
ASP A 177
PRO A 259
THR A 284
 None
 0.84A 3el9A-2g39A:
undetectable		 3el9A-2g39A:
12.87
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.
2gs0 RNA POLYMERASE II
TRANSCRIPTION FACTOR
B SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF08567
(PH_TFIIH) 		4 ASP A  35
GLY A  14
ILE A  15
THR A  39
 None
 0.65A 3el9A-2gs0A:
undetectable		 3el9A-2gs0A:
23.48
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		4 ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.72A 3el9A-2isqA:
undetectable		 3el9A-2isqA:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 ASP A  51
GLY A  27
ILE A  28
PRO A 347
 None
FAD  A 609 (-3.3A)
FAD  A 609 (-4.8A)
FAD  A 609 (-4.5A)
 0.83A 3el9A-2rghA:
undetectable		 3el9A-2rghA:
10.94
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
ASP A  25
ALA A  28
ASP A  29
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 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.39A 3el9A-2rkfA:
20.4		 3el9A-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		4 ARG A  10
ASP A  37
ALA A  40
ASP A  41
 None
 0.79A 3el9A-2rspA:
12.9		 3el9A-2rspA:
32.80
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.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ALA A 233
ASP A 232
GLY A 355
ILE A 354
 None
 0.81A 3el9A-2va8A:
undetectable		 3el9A-2va8A:
9.99
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 ARG A 210
ALA A 332
GLY A 329
ILE A 234
 OMT  A2473 (-3.9A)
None
None
None
 0.66A 3el9A-2vdcA:
undetectable		 3el9A-2vdcA:
5.48
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.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 ALA A 821
ASP A 822
GLY A 816
ILE A 626
 None
 0.85A 3el9A-2vsqA:
undetectable		 3el9A-2vsqA:
5.44
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.
2x3n PROBABLE
FAD-DEPENDENT
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		4 ALA A 308
ASP A 311
GLY A 162
ILE A 163
 FAD  A1371 (-3.6A)
None
FAD  A1371 ( 3.7A)
None
 0.81A 3el9A-2x3nA:
undetectable		 3el9A-2x3nA:
13.42
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.
2yn2 UNCHARACTERIZED
PROTEIN YNL108C

(Saccharomyces
cerevisiae) 		PF00300
(His_Phos_1) 		4 ALA A   9
GLY A  12
PRO A  75
THR A  76
 None
 0.74A 3el9A-2yn2A:
undetectable		 3el9A-2yn2A:
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.
3aat ASPARTATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 ASP A 236
ASP A 199
GLY A 358
ILE A 330
 None
 0.83A 3el9A-3aatA:
undetectable		 3el9A-3aatA:
10.05
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.
3bcz PROTEIN MEMO1

(Homo sapiens) 		PF01875
(Memo) 		4 ARG A   8
ASP A 102
GLY A  21
PRO A 138
 None
 0.77A 3el9A-3bczA:
undetectable		 3el9A-3bczA:
15.83
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.
3ce9 GLYCEROL
DEHYDROGENASE

(Clostridium
acetobutylicum) 		PF13685
(Fe-ADH_2) 		4 ALA A 102
ASP A 101
GLY A  95
ILE A  94
 PEG  A 404 ( 4.7A)
None
None
None
 0.63A 3el9A-3ce9A:
undetectable		 3el9A-3ce9A:
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.
3d3y UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF05193
(Peptidase_M16_C) 		4 ARG A 246
ALA A 151
GLY A 317
ILE A 318
 None
 0.72A 3el9A-3d3yA:
undetectable		 3el9A-3d3yA:
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.
3djl PROTEIN AIDB

(Escherichia
coli) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		4 ALA A 224
GLY A 278
ILE A 277
PRO A 152
 None
 0.69A 3el9A-3djlA:
undetectable		 3el9A-3djlA:
10.88
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.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		4 ALA A 438
GLY A 300
ILE A 180
THR A 292
 HEM  A 500 (-3.8A)
HEM  A 500 (-3.4A)
None
None
 0.74A 3el9A-3e4eA:
undetectable		 3el9A-3e4eA:
13.30
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.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		4 ALA A 405
ASP A 407
ILE A 365
THR A 473
 None
 0.84A 3el9A-3gf7A:
undetectable		 3el9A-3gf7A:
11.44
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.
3h08 RNH (RIBONUCLEASE H)

(Chlorobaculum
tepidum) 		PF00075
(RNase_H) 		4 ARG A 133
ASP A  10
GLY A  20
ILE A 142
 None
MG  A 501 (-4.5A)
None
None
 0.84A 3el9A-3h08A:
undetectable		 3el9A-3h08A:
18.42
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.
3hhe RIBOSE-5-PHOSPHATE
ISOMERASE A

(Bartonella
henselae) 		PF06026
(Rib_5-P_isom_A) 		4 ASP A  42
GLY A  67
PRO A  89
THR A  71
 None
 0.73A 3el9A-3hheA:
undetectable		 3el9A-3hheA:
18.22
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		4 ALA A 265
ASP A 266
GLY A 460
ILE A 459
 None
 0.82A 3el9A-3i5gA:
undetectable		 3el9A-3i5gA:
7.76
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.
3m6c 60 KDA CHAPERONIN 1

(Mycobacterium
tuberculosis) 		PF00118
(Cpn60_TCP1) 		4 ALA A 216
ASP A 215
GLY A 333
THR A 328
 None
 0.72A 3el9A-3m6cA:
undetectable		 3el9A-3m6cA:
19.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 0.45A 3el9A-3mwsA:
19.2		 3el9A-3mwsA:
74.75
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.
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima) 		PF00072
(Response_reg) 		4 ALA A  97
ASP A  98
ILE A  64
THR A  81
 None
None
None
BEF  A 402 (-3.2A)
 0.84A 3el9A-3nnnA:
undetectable		 3el9A-3nnnA:
18.25
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.
3ors N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
MUTASE

(Staphylococcus
aureus) 		PF00731
(AIRC) 		4 ALA A  67
GLY A  93
ILE A  94
THR A 111
 None
 0.67A 3el9A-3orsA:
undetectable		 3el9A-3orsA:
19.75
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.
3owq LIN1025 PROTEIN

(Listeria
innocua) 		PF03816
(LytR_cpsA_psr) 		4 ALA A 169
ASP A 168
GLY A 162
ILE A 158
 None
 0.75A 3el9A-3owqA:
undetectable		 3el9A-3owqA:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rrc DUFFY RECEPTOR

(Plasmodium
vivax) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		4 ASP A 309
GLY A 321
ILE A 322
THR A 251
 None
EDO  A   3 ( 3.1A)
None
None
 0.82A 3el9A-3rrcA:
undetectable		 3el9A-3rrcA:
15.14
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.
3sip APOPTOSIS 1
INHIBITOR
CASPASE

(Drosophila
melanogaster) 		PF00653
(BIR)
PF00656
(Peptidase_C14) 		4 ASP E  76
ASP E  94
GLY A   3
THR E  72
 None
 0.81A 3el9A-3sipE:
undetectable		 3el9A-3sipE:
23.53
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) 		4 ALA A  28
ASP A  29
GLY A  49
PRO A  81
 017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
None
 0.65A 3el9A-3t3cA:
18.7		 3el9A-3t3cA:
77.78
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 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.35A 3el9A-3t3cA:
18.7		 3el9A-3t3cA:
77.78
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 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 1.26A 3el9A-3t3cA:
18.7		 3el9A-3t3cA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t8q MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Hoeflea
phototrophica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A 184
GLY A 197
ILE A 229
THR A 220
 None
 0.82A 3el9A-3t8qA:
undetectable		 3el9A-3t8qA:
13.17
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.
3t9p MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A 254
ASP A 275
GLY A 228
ILE A 227
 None
 0.85A 3el9A-3t9pA:
undetectable		 3el9A-3t9pA:
14.84
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.
3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE

(Vibrio cholerae) 		PF00857
(Isochorismatase) 		4 ALA A 174
ASP A 175
GLY A 170
ILE A 169
 None
 0.75A 3el9A-3tb4A:
undetectable		 3el9A-3tb4A:
18.06
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
ASP A  25
ALA A  28
ASP A  29
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 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 0.55A 3el9A-3ttpA:
19.0		 3el9A-3ttpA:
77.78
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
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.47A 3el9A-3u7sA:
19.4		 3el9A-3u7sA:
78.79
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
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 1.46A 3el9A-3u7sA:
19.4		 3el9A-3u7sA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 ARG A   8
ASP A  25
ALA A  28
ASP A  29
 None
 0.70A 3el9A-3uhlA:
15.6		 3el9A-3uhlA:
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.
3w2i NADH-CYTOCHROME B5
REDUCTASE 3

(Sus scrofa) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 ASP A  72
GLY A  43
ILE A   5
PRO A  36
 None
 0.86A 3el9A-3w2iA:
undetectable		 3el9A-3w2iA:
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		4 ASP A 443
ALA A 446
GLY A 413
PRO A 426
 None
 0.77A 3el9A-3welA:
undetectable		 3el9A-3welA:
7.32
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.
4aec CYSTEINE SYNTHASE,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00291
(PALP) 		4 ALA A 286
GLY A 298
ILE A 347
PRO A 262
 None
 0.74A 3el9A-4aecA:
undetectable		 3el9A-4aecA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dqd EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		4 ASP A 213
ALA A 156
GLY A 184
THR A 188
 None
 0.83A 3el9A-4dqdA:
undetectable		 3el9A-4dqdA:
15.84
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.
4en8 HEMAGGLUTININ
COMPONENTS
HA-22/23/53

(Clostridium
botulinum) 		PF03505
(Clenterotox) 		4 ALA B 463
GLY B 457
ILE B 427
THR B 419
 None
 0.85A 3el9A-4en8B:
undetectable		 3el9A-4en8B:
13.77
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.
4evq PUTATIVE ABC
TRANSPORTER SUBUNIT,
SUBSTRATE-BINDING
COMPONENT

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		4 ALA A 162
ASP A 161
GLY A 167
PRO A 251
 None
None
None
GOL  A 407 (-4.7A)
 0.78A 3el9A-4evqA:
undetectable		 3el9A-4evqA:
13.33
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.
4hln STARCH SYNTHASE I

(Hordeum vulgare) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		4 ALA A 604
ASP A 607
ILE A 337
PRO A 256
 None
 0.83A 3el9A-4hlnA:
undetectable		 3el9A-4hlnA:
11.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hyj RHODOPSIN

(Exiguobacterium
sibiricum) 		PF01036
(Bac_rhodopsin) 		4 ALA A 118
ASP A 119
GLY A 150
ILE A 149
 LFA  A 306 ( 4.2A)
None
RET  A 301 (-3.7A)
LFA  A 311 ( 4.3A)
 0.83A 3el9A-4hyjA:
undetectable		 3el9A-4hyjA:
18.25
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.
4i3h TOPOISOMERASE IV
SUBUNIT B, DNA
TOPOISOMERASE 4
SUBUNIT A CHIMERA

(Streptococcus
pneumoniae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
PF02518
(HATPase_c) 		4 ASP A1333
GLY A1341
ILE A1342
PRO A1179
 None
 0.83A 3el9A-4i3hA:
undetectable		 3el9A-4i3hA:
7.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4izk YELLOWTAIL ASCITES
VIRUS (YAV) VP4
PROTEASE

(Yellowtail
ascites virus) 		PF01768
(Birna_VP4) 		4 ASP A 644
ILE A 563
PRO A 537
THR A 538
 None
 0.83A 3el9A-4izkA:
undetectable		 3el9A-4izkA:
20.10
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.
4jyj ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		4 ALA A 120
ASP A 121
GLY A  54
ILE A  19
 None
 0.60A 3el9A-4jyjA:
undetectable		 3el9A-4jyjA:
18.62
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.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus) 		PF02128
(Peptidase_M36) 		4 GLY A 425
ILE A 426
PRO A 258
THR A 259
 None
MLA  A 704 ( 4.6A)
None
None
 0.74A 3el9A-4k90A:
undetectable		 3el9A-4k90A:
17.01
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.
4kjd INTESTINAL-TYPE
ALKALINE PHOSPHATASE
1

(Rattus
norvegicus) 		PF00245
(Alk_phosphatase) 		4 ASP A 316
GLY A 433
PRO A  47
THR A  48
 None
 0.60A 3el9A-4kjdA:
undetectable		 3el9A-4kjdA:
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL
GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT B,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase)
PF02934
(GatB_N) 		4 ASP A 187
GLY B  73
PRO A 214
THR A 215
 None
 0.74A 3el9A-4n0iA:
undetectable		 3el9A-4n0iA:
12.23
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) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  29
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)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.57A 3el9A-4njvA:
20.1		 3el9A-4njvA:
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		4 ASP A 196
GLY A 101
ILE A 141
THR A 148
 None
 0.80A 3el9A-4q2cA:
undetectable		 3el9A-4q2cA:
8.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w4t MXAA

(Stigmatella
aurantiaca) 		PF07993
(NAD_binding_4) 		4 ALA A1411
ASP A1412
ILE A1496
THR A1358
 None
 0.85A 3el9A-4w4tA:
undetectable		 3el9A-4w4tA:
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.
4xeh KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		4 ARG A  49
ALA A  57
ASP A  60
GLY A  29
 None
 0.78A 3el9A-4xehA:
undetectable		 3el9A-4xehA:
16.22
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.
4xvo L,D-TRANSPEPTIDASE

(Mycolicibacterium
smegmatis) 		PF03734
(YkuD) 		4 ASP A 107
ALA A  91
ASP A  88
PRO A  63
 None
 0.81A 3el9A-4xvoA:
undetectable		 3el9A-4xvoA:
18.22
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
ASP A  36
GLY A  58
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.56A 3el9A-4ydfA:
13.2		 3el9A-4ydfA:
31.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 ARG A   8
ALA A  28
ASP A  29
GLY A  49
 None
 0.78A 3el9A-5b18A:
17.6		 3el9A-5b18A:
73.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dyn PUTATIVE PEPTIDASE

(Bacteroides
fragilis) 		PF03415
(Peptidase_C11) 		4 ALA A  49
ASP A  52
ILE A  40
PRO A  80
 None
NA  A 403 (-3.1A)
None
NA  A 402 ( 4.9A)
 0.70A 3el9A-5dynA:
undetectable		 3el9A-5dynA:
21.14
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.
5erp DESMOCOLLIN-2

(Homo sapiens) 		PF00028
(Cadherin) 		4 GLY A 429
ILE A 409
PRO A 379
THR A 380
 NAG  A 806 ( 4.5A)
NAG  A 806 (-3.5A)
None
None
 0.82A 3el9A-5erpA:
undetectable		 3el9A-5erpA:
12.40
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.
5gle ISCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 4 ALA A 176
ASP A 177
GLY A 172
ILE A 171
 None
 0.71A 3el9A-5gleA:
undetectable		 3el9A-5gleA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 ALA A1758
ASP A1761
ILE A1628
THR A1766
 None
 0.85A 3el9A-5i6hA:
undetectable		 3el9A-5i6hA:
6.97
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 GLY A 940
ILE A 939
PRO A 918
THR A 917
 NAG  A1914 (-3.3A)
NAG  A1915 (-4.7A)
None
NAG  A1914 (-3.7A)
 0.75A 3el9A-5ihrA:
undetectable		 3el9A-5ihrA:
8.76
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.
5ipw OLIGOPEPTIDE ABC
TRANSPORTER,
PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 ARG A 645
ALA A 359
ASP A 621
GLY A 331
PRO A 647
 None
 1.48A 3el9A-5ipwA:
undetectable		 3el9A-5ipwA:
11.24
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.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		4 GLY A 278
ILE A 282
PRO A 498
THR A 499
 1VU  A 601 (-3.5A)
1VU  A 601 (-3.6A)
None
None
 0.65A 3el9A-5jfmA:
undetectable		 3el9A-5jfmA:
10.81
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.
5jvv BETA-1,3-GLUCOSYLTRA
NSFERASE

(Paecilomyces
sp.
'thermophila') 		no annotation 4 ALA B  18
ASP B  17
ILE B 292
THR B 297
 None
 0.78A 3el9A-5jvvB:
undetectable		 3el9A-5jvvB:
14.44
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.
5n9u DEHYDROASCORBATE
REDUCTASE FAMILY
PROTEIN

(Populus
trichocarpa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		4 ASP A 150
ALA A 142
GLY A  99
ILE A 102
 None
 0.83A 3el9A-5n9uA:
undetectable		 3el9A-5n9uA:
19.88
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) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 0.55A 3el9A-5t2zA:
19.4		 3el9A-5t2zA:
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.
5zb3 -

(-) 		no annotation 4 ALA A 378
GLY A 385
ILE A 392
THR A 402
 None
 0.74A 3el9A-5zb3A:
undetectable		 3el9A-5zb3A:
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.
6f34 AMINO ACID
TRANSPORTER

(Geobacillus
kaustophilus) 		no annotation 4 ALA A  76
GLY A 235
ILE A 234
THR A 265
 None
None
ARG  A 501 (-3.7A)
None
 0.67A 3el9A-6f34A:
undetectable		 3el9A-6f34A:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A  13
ASP A  30
ALA A  33
ASP A  34
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.43A 3el9A-6fivA:
15.0		 3el9A-6fivA:
29.57
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) 		4 ARG A   8
ALA A  28
ASP A  29
GLY A  49
 None
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
 0.84A 3el9A-6upjA:
17.5		 3el9A-6upjA:
47.47
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  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.55A 3el9A-6upjA:
17.5		 3el9A-6upjA:
47.47
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  25
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.74A 3el9A-6upjA:
17.5		 3el9A-6upjA:
47.47
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.
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)
 0.90A 3el9B-1f76A:
undetectable		 3el9B-1f76A:
15.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyn FRUCTOSE-BISPHOSPHAT
E ALDOLASE II

(Escherichia
coli) 		PF01116
(F_bP_aldolase) 		5 GLY A  64
ALA A  65
ILE A  87
GLY A  89
ILE A  42
 None
 1.06A 3el9B-1gynA:
undetectable		 3el9B-1gynA:
12.15
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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.74A 3el9B-1hvcA:
14.2		 3el9B-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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
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 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.48A 3el9B-1hvcA:
14.2		 3el9B-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
ASP A  29
GLY A  48
PRO A  81
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
 1.02A 3el9B-1hvcA:
14.2		 3el9B-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.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		5 ASP A 535
GLY A 537
ASP A 542
GLY A 449
PRO A 504
 None
 0.83A 3el9B-1j2bA:
undetectable		 3el9B-1j2bA:
11.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofu CELL DIVISION
PROTEIN FTSZ

(Pseudomonas
aeruginosa) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 192
ALA A 193
GLY A 227
PRO A 165
THR A 133
 None
None
None
None
GDP  A1318 ( 4.9A)
 0.92A 3el9B-1ofuA:
undetectable		 3el9B-1ofuA:
13.71
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.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 GLY A  93
ALA A  94
ASP A  95
ILE A  75
ILE A  61
 None
 0.95A 3el9B-1p2fA:
undetectable		 3el9B-1p2fA:
16.96
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.
1rc9 CYSTEINE-RICH
SECRETORY PROTEIN

(Trimeresurus
stejnegeri) 		PF00188
(CAP)
PF08562
(Crisp) 		5 GLY A  74
ALA A 150
ILE A 119
PRO A 160
THR A 157
 None
 1.03A 3el9B-1rc9A:
undetectable		 3el9B-1rc9A:
18.63
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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 0.57A 3el9B-1sivA:
18.5		 3el9B-1sivA:
48.48
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.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		5 GLY A 416
ALA A 417
ASP A 418
ILE A 395
ILE A 346
 None
 1.04A 3el9B-1vrgA:
undetectable		 3el9B-1vrgA:
12.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wvr TRIFLIN

(Protobothrops
flavoviridis) 		PF00188
(CAP)
PF08562
(Crisp) 		5 GLY A  74
ALA A 150
ILE A 119
PRO A 160
THR A 157
 None
 0.98A 3el9B-1wvrA:
undetectable		 3el9B-1wvrA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xmp PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Bacillus
anthracis) 		PF00731
(AIRC) 		5 GLY A  66
ALA A  65
ASP A  14
GLY A 117
ILE A 116
 None
 1.07A 3el9B-1xmpA:
undetectable		 3el9B-1xmpA:
20.35
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 539
ALA A 538
ASP A 537
GLY A 529
PRO A 475
 None
 1.00A 3el9B-1yr2A:
undetectable		 3el9B-1yr2A:
9.29
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.
2a18 CARBON DIOXIDE
CONCENTRATING
MECHANISM PROTEIN
CCMK HOMOLOG 4

(Synechocystis
sp. PCC 6803) 		PF00936
(BMC) 		5 GLY A  40
ALA A  39
ILE A  18
GLY A  14
THR A  76
 None
 1.08A 3el9B-2a18A:
undetectable		 3el9B-2a18A:
20.49
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 497
ALA A 496
ASP A 495
GLY A 487
PRO A 431
 None
 1.05A 3el9B-2bklA:
undetectable		 3el9B-2bklA:
9.90
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.
2czd OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Pyrococcus
horikoshii) 		PF00215
(OMPdecase) 		5 GLY A  78
ALA A  79
ASP A  80
ILE A  55
ILE A  42
 None
 1.02A 3el9B-2czdA:
undetectable		 3el9B-2czdA:
19.60
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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  53
GLY A  55
PRO A  86
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.53A 3el9B-2fmbA:
15.3		 3el9B-2fmbA:
32.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  54
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.6A)
 0.87A 3el9B-2fmbA:
15.3		 3el9B-2fmbA:
32.69
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		5 GLY A 475
ALA A 474
ILE A  64
ILE A 468
THR A 580
 None
 0.91A 3el9B-2gq3A:
undetectable		 3el9B-2gq3A:
9.53
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.79A 3el9B-2isqA:
undetectable		 3el9B-2isqA:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j0v RAC-LIKE GTP-BINDING
PROTEIN ARAC7

(Arabidopsis
thaliana) 		PF00071
(Ras) 		5 GLY A  77
ALA A  78
ASP A  79
GLY A  57
THR A  61
 None
 1.04A 3el9B-2j0vA:
undetectable		 3el9B-2j0vA:
17.37
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.
2p58 PUTATIVE TYPE III
SECRETION PROTEIN
YSCE
PUTATIVE TYPE III
SECRETION PROTEIN
YSCG

(Yersinia pestis) 		PF08988
(T3SS_needle_E)
PF09477
(Type_III_YscG) 		5 ARG A  15
GLY A  63
ALA A  62
ILE C  15
ILE A  55
 None
 1.06A 3el9B-2p58A:
undetectable		 3el9B-2p58A:
25.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pyh POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4

(Azotobacter
vinelandii) 		PF12708
(Pectate_lyase_3) 		5 GLY A 242
ALA A 265
ASP A 266
ILE A 290
GLY A 251
 None
 1.06A 3el9B-2pyhA:
undetectable		 3el9B-2pyhA:
15.48
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
ASP A  25
ALA A  28
ASP A  30
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 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 1.47A 3el9B-2rkfA:
20.8		 3el9B-2rkfA:
82.83
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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 ( 4.7A)
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.36A 3el9B-2rkfA:
20.8		 3el9B-2rkfA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 ARG A  10
ASP A  37
GLY A  39
ALA A  40
ASP A  41
 None
 0.84A 3el9B-2rspA:
12.9		 3el9B-2rspA:
32.80
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 GLY G 621
ALA G 620
ILE G 617
GLY G 648
ILE G 676
 None
FMN  G3051 ( 4.7A)
None
None
None
 0.91A 3el9B-2uv8G:
undetectable		 3el9B-2uv8G:
4.45
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.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		5 ASP A 851
ASP A 779
ILE A 777
GLY A 377
PRO A 292
 None
 1.05A 3el9B-2yn9A:
undetectable		 3el9B-2yn9A:
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.
3a05 TRYPTOPHANYL-TRNA
SYNTHETASE

(Aeropyrum
pernix) 		PF00579
(tRNA-synt_1b) 		5 GLY A 215
ALA A 216
ASP A 219
GLY A  54
ILE A  52
 None
 0.98A 3el9B-3a05A:
undetectable		 3el9B-3a05A:
13.97
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.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		5 ALA A 405
ASP A 407
GLY A 363
ILE A 365
THR A 473
 None
 1.03A 3el9B-3gf7A:
undetectable		 3el9B-3gf7A:
11.44
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.
3gt7 SENSOR PROTEIN

(Syntrophus
aciditrophicus) 		PF00072
(Response_reg) 		5 ARG A 102
GLY A 107
ALA A 108
ASP A 109
ILE A  59
 None
 1.07A 3el9B-3gt7A:
undetectable		 3el9B-3gt7A:
24.62
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.
3gt7 SENSOR PROTEIN

(Syntrophus
aciditrophicus) 		PF00072
(Response_reg) 		5 ARG A 102
GLY A 107
ALA A 108
ASP A 109
ILE A  89
 None
 1.00A 3el9B-3gt7A:
undetectable		 3el9B-3gt7A:
24.62
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.
3hde LYSOZYME

(Escherichia
virus Lambda) 		PF00959
(Phage_lysozyme) 		5 GLY A  15
ALA A  12
ILE A 159
GLY A 100
THR A  26
 None
 1.04A 3el9B-3hdeA:
undetectable		 3el9B-3hdeA:
18.34
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.
3hwk METHYLCITRATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00285
(Citrate_synt) 		5 GLY A 232
ALA A 233
ILE A 358
PRO A 351
THR A 350
 None
 1.07A 3el9B-3hwkA:
undetectable		 3el9B-3hwkA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
 None
 0.85A 3el9B-3i5gA:
undetectable		 3el9B-3i5gA:
7.76
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.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 976
GLY A 975
ALA A 971
ILE A 811
GLY A 598
 None
 0.76A 3el9B-3iayA:
undetectable		 3el9B-3iayA:
7.60
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.
3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Enterococcus
faecalis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 119
ALA A 283
ILE A 288
GLY A 168
THR A  56
 None
 0.98A 3el9B-3il4A:
undetectable		 3el9B-3il4A:
15.94
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.
3kf3 INVERTASE

(Schwanniomyces
occidentalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASP A 287
GLY A 289
ASP A 291
ILE A 485
PRO A 355
 None
None
None
None
NAG  A5001 ( 4.9A)
 1.01A 3el9B-3kf3A:
undetectable		 3el9B-3kf3A:
12.42
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.
3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT

(Mycobacterium
tuberculosis) 		PF00731
(AIRC) 		5 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 0.99A 3el9B-3lp6A:
undetectable		 3el9B-3lp6A:
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.
3m1r FORMIMIDOYLGLUTAMASE

(Bacillus
subtilis) 		PF00491
(Arginase) 		5 ASP A 289
GLY A  53
ALA A  54
GLY A  59
THR A 298
 CL  A 321 ( 4.6A)
CL  A 321 ( 4.4A)
None
PEG  A 324 (-3.4A)
None
 1.07A 3el9B-3m1rA:
undetectable		 3el9B-3m1rA:
15.19
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 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
 None
 1.13A 3el9B-3mwsA:
20.1		 3el9B-3mwsA:
74.75
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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
PRO A  81
 None
 0.59A 3el9B-3mwsA:
20.1		 3el9B-3mwsA:
74.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.30A 3el9B-3mwsA:
20.1		 3el9B-3mwsA:
74.75
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.
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 GLY A  93
ALA A  94
ASP A  95
ILE A  75
ILE A  61
 None
 0.94A 3el9B-3nnsA:
undetectable		 3el9B-3nnsA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opq PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE,CATALYTI
C SUBUNIT

(Francisella
tularensis) 		PF00731
(AIRC) 		5 GLY A  66
ALA A  65
ASP A  14
GLY A 117
ILE A 116
 PO4  A 164 (-3.7A)
PO4  A 164 (-3.3A)
PO4  A 164 (-2.8A)
FMT  A 166 (-3.3A)
None
 1.05A 3el9B-3opqA:
undetectable		 3el9B-3opqA:
18.12
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.
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
 0.90A 3el9B-3orsA:
undetectable		 3el9B-3orsA:
19.75
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.
3ors N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
MUTASE

(Staphylococcus
aureus) 		PF00731
(AIRC) 		5 GLY A  64
ALA A  63
ASP A  12
GLY A 115
ILE A 114
 None
 1.05A 3el9B-3orsA:
undetectable		 3el9B-3orsA:
19.75
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.
3rf7 IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Shewanella
denitrificans) 		PF00465
(Fe-ADH) 		5 ASP A 104
GLY A 100
GLY A 137
ILE A 173
THR A 168
 NAD  A 358 (-2.7A)
NAD  A 358 (-3.2A)
None
None
None
 1.05A 3el9B-3rf7A:
undetectable		 3el9B-3rf7A:
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli) 		no annotation 5 GLY M 261
ALA M 260
ILE M 123
PRO M 252
THR M 253
 None
 1.07A 3el9B-3rkoM:
undetectable		 3el9B-3rkoM:
14.36
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 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 1.28A 3el9B-3t3cA:
18.8		 3el9B-3t3cA:
77.78
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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.79A 3el9B-3t3cA:
18.8		 3el9B-3t3cA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3trh PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CARBOXYLTRANSFERASE
SUBUNIT

(Coxiella
burnetii) 		PF00731
(AIRC) 		5 GLY A  67
ALA A  66
ASP A  15
GLY A 118
ILE A 117
 None
 1.07A 3el9B-3trhA:
undetectable		 3el9B-3trhA:
20.96
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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 0.50A 3el9B-3ttpA:
19.7		 3el9B-3ttpA:
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.
3u4y UNCHARACTERIZED
PROTEIN

(Desulfotomaculum
acetoxidans) 		PF10282
(Lactonase) 		5 ASP A  85
GLY A 271
ALA A 272
ILE A 316
ILE A 223
 None
 1.00A 3el9B-3u4yA:
undetectable		 3el9B-3u4yA:
18.29
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
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 1.35A 3el9B-3u7sA:
19.8		 3el9B-3u7sA:
78.79
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.63A 3el9B-3u7sA:
19.8		 3el9B-3u7sA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
 None
 0.68A 3el9B-3uhlA:
16.1		 3el9B-3uhlA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
 None
 0.46A 3el9B-3uhlA:
16.1		 3el9B-3uhlA:
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.
3uxm THYMIDYLATE KINASE

(Pseudomonas
aeruginosa) 		PF02223
(Thymidylate_kin) 		5 GLY A 187
ALA A 186
ASP A 136
GLY A 142
THR A  18
 None
 0.90A 3el9B-3uxmA:
undetectable		 3el9B-3uxmA:
20.10
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.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		5 GLY A 188
ALA A 177
ILE A 156
GLY A  95
ILE A  60
 None
 0.89A 3el9B-3zwfA:
undetectable		 3el9B-3zwfA:
14.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 GLY X 577
ALA X 578
ILE X 345
GLY X 355
ILE X 357
 None
 0.82A 3el9B-3zyyX:
undetectable		 3el9B-3zyyX:
15.11
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.
4aec CYSTEINE SYNTHASE,
MITOCHONDRIAL

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 270
ILE A 157
GLY A 292
ILE A 294
PRO A 404
 None
None
PLP  A 500 (-3.6A)
None
PLP  A 500 (-4.2A)
 1.04A 3el9B-4aecA:
undetectable		 3el9B-4aecA:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF14574
(DUF4445) 		5 GLY I 577
ALA I 578
ILE I 345
GLY I 355
ILE I 357
 None
 0.90A 3el9B-4c1nI:
undetectable		 3el9B-4c1nI:
15.11
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.
4ex4 MALATE SYNTHASE G

(Mycobacterium
leprae) 		PF01274
(Malate_synthase) 		5 GLY A 480
ALA A 479
ILE A  64
ILE A 473
THR A 585
 None
 0.99A 3el9B-4ex4A:
undetectable		 3el9B-4ex4A:
9.80
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.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ASP A 137
GLY A 116
ALA A 115
ILE A  40
GLY A 216
 None
COA  A 402 (-3.5A)
NAP  A 401 (-3.2A)
NAP  A 401 (-4.0A)
NAP  A 401 (-3.2A)
 1.05A 3el9B-4fc7A:
undetectable		 3el9B-4fc7A:
16.42
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.
4fff LEVAN
FRUCTOTRANSFERASE

(Paenarthrobacter
ureafaciens) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASP A 292
GLY A 294
ASP A 296
ILE A 467
PRO A 363
 None
 0.94A 3el9B-4fffA:
undetectable		 3el9B-4fffA:
13.04
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.
4grd PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT

(Burkholderia
cenocepacia) 		PF00731
(AIRC) 		5 GLY A  77
ALA A  76
ASP A  25
GLY A 128
ILE A 127
 None
 1.02A 3el9B-4grdA:
undetectable		 3el9B-4grdA:
19.75
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.
4ilk STARVATION SENSING
PROTEIN RSPB

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 206
ALA A 207
ASP A 208
ILE A 190
ILE A 176
 None
 0.91A 3el9B-4ilkA:
undetectable		 3el9B-4ilkA:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Rickettsia
rickettsii) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 276
ALA A 301
ASP A 304
ILE A 273
ILE A 184
 None
 0.97A 3el9B-4jgaA:
undetectable		 3el9B-4jgaA:
14.05
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.
4kws D-MANNONATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  34
ALA A  90
GLY A 294
ILE A 295
THR A  68
 None
 0.92A 3el9B-4kwsA:
undetectable		 3el9B-4kwsA:
12.32
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.
4l0o CYSTATHIONINE
GAMMA-SYNTHASE

(Helicobacter
pylori) 		no annotation 5 GLY H 185
ALA H 186
ASP H 187
ILE H 168
THR H 142
 None
 0.93A 3el9B-4l0oH:
undetectable		 3el9B-4l0oH:
12.23
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.
4lq0 LAGLIDADG HOMING
ENDONUCLEASE

(Leptographium
truncatum) 		PF00961
(LAGLIDADG_1) 		5 ASP A  53
GLY A 262
ILE A  15
GLY A 176
ILE A 178
 None
 0.93A 3el9B-4lq0A:
undetectable		 3el9B-4lq0A:
15.74
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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
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 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
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)
 0.57A 3el9B-4njvA:
20.5		 3el9B-4njvA:
84.85
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
ASP A  29
GLY A  48
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.5A)
 0.75A 3el9B-4njvA:
20.5		 3el9B-4njvA:
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.
4ra7 PEPTIDOGLYCAN
GLYCOSYLTRANSFERASE

(Atopobium
parvulum) 		PF00905
(Transpeptidase) 		5 GLY A 933
ALA A 934
ILE A 887
GLY A 907
ILE A 906
 None
 0.93A 3el9B-4ra7A:
undetectable		 3el9B-4ra7A:
13.18
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.
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)
 0.98A 3el9B-4xq6A:
undetectable		 3el9B-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.
4xvo L,D-TRANSPEPTIDASE

(Mycolicibacterium
smegmatis) 		PF03734
(YkuD) 		5 ASP A 107
ALA A  91
ASP A  88
ILE A  84
PRO A  63
 None
 0.95A 3el9B-4xvoA:
undetectable		 3el9B-4xvoA:
18.22
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) 		6 ARG A  10
ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.60A 3el9B-4ydfA:
13.0		 3el9B-4ydfA:
31.90
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.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE

(Acinetobacter
baumannii) 		PF01208
(URO-D) 		5 GLY A 263
ALA A 264
ASP A 265
ILE A 230
THR A 249
 None
 0.89A 3el9B-4zr8A:
undetectable		 3el9B-4zr8A:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE

(Acinetobacter
baumannii) 		PF01208
(URO-D) 		5 GLY A 263
ALA A 264
ASP A 265
ILE A 246
ILE A 230
 None
 1.06A 3el9B-4zr8A:
undetectable		 3el9B-4zr8A:
15.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
 None
 1.10A 3el9B-5b18A:
18.3		 3el9B-5b18A:
73.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bqs 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Streptococcus
pneumoniae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY A 114
ALA A 282
ILE A 287
GLY A 163
THR A  51
 None
 0.96A 3el9B-5bqsA:
undetectable		 3el9B-5bqsA:
14.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dte MONOSACCHARIDE-TRANS
PORTING ATPASE

(Actinobacillus
succinogenes) 		PF13407
(Peripla_BP_4) 		5 GLY A  49
ALA A  50
ILE A  31
ILE A 280
THR A  93
 None
 0.94A 3el9B-5dteA:
undetectable		 3el9B-5dteA:
13.33
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.
5ewt EXODEOXYRIBONUCLEASE
III XTH

(Sulfolobus
islandicus) 		PF03372
(Exo_endo_phos) 		5 GLY A 154
ALA A 155
ILE A 161
GLY A 163
ILE A 147
 None
 1.06A 3el9B-5ewtA:
undetectable		 3el9B-5ewtA:
18.40
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.
5g06 EXOSOME COMPLEX
COMPONENT RRP40
EXOSOME COMPLEX
COMPONENT RRP46

(Saccharomyces
cerevisiae) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C)
PF15985
(KH_6) 		5 GLY D 124
ASP D 122
ILE D 213
GLY G  40
ILE G  57
 None
 1.04A 3el9B-5g06D:
undetectable		 3el9B-5g06D:
14.98
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.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens) 		PF01039
(Carboxyl_trans) 		5 GLY A 431
ALA A 432
ASP A 433
ILE A 410
ILE A 361
 None
 0.95A 3el9B-5infA:
undetectable		 3el9B-5infA:
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.
5k8c 3-DEOXY-ALPHA-D-MANN
O-OCTULOSONATE
8-OXIDASE

(Shewanella
oneidensis) 		PF00465
(Fe-ADH) 		5 ASP A 104
GLY A 100
GLY A 137
ILE A 173
THR A 168
 NAD  A 401 (-2.8A)
NAD  A 401 (-3.3A)
None
None
None
 1.06A 3el9B-5k8cA:
undetectable		 3el9B-5k8cA:
16.39
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.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 473
ALA A 472
ILE A  64
ILE A 466
THR A 578
 None
 0.95A 3el9B-5oasA:
undetectable		 3el9B-5oasA:
10.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ovk 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A 123
ALA A 124
ILE A 146
GLY A  98
ILE A  99
 None
None
None
NDP  A 301 (-4.5A)
NDP  A 301 ( 4.9A)
 0.89A 3el9B-5ovkA:
undetectable		 3el9B-5ovkA:
21.00
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.
5ovl 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A 123
ALA A 124
ILE A 146
GLY A  98
ILE A  99
 None
None
NAP  A1001 (-4.6A)
NAP  A1001 (-3.4A)
NAP  A1001 (-4.5A)
 0.87A 3el9B-5ovlA:
undetectable		 3el9B-5ovlA:
18.18
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
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 None
 1.45A 3el9B-5t2zA:
20.0		 3el9B-5t2zA:
76.77
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.42A 3el9B-5t2zA:
20.0		 3el9B-5t2zA:
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.
5vj7 OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 GLY A 264
ILE A 357
GLY A 259
ILE A 260
PRO A 353
 None
 0.96A 3el9B-5vj7A:
undetectable		 3el9B-5vj7A:
15.53
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.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii) 		no annotation 5 ASP A 244
GLY A 245
GLY A 295
ILE A 290
PRO A 331
 None
LLP  A  63 ( 4.2A)
None
None
None
 1.06A 3el9B-5ybwA:
undetectable		 3el9B-5ybwA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		5 GLY A 479
ALA A 478
ILE A  64
ILE A 472
THR A 584
 None
 0.93A 3el9B-6axeA:
undetectable		 3el9B-6axeA:
9.90
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.
6cxd PEPTIDASE B

(Yersinia pestis) 		no annotation 5 ARG A 104
GLY A  78
ALA A  49
ILE A  34
GLY A  44
 SO4  A 501 (-4.5A)
None
None
None
None
 1.03A 3el9B-6cxdA:
undetectable		 3el9B-6cxdA:
19.79
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 5 GLY A1359
ALA A1381
ASP A1380
GLY A1412
THR A1416
 None
 1.04A 3el9B-6fb3A:
undetectable		 3el9B-6fb3A:
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A  13
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.34A 3el9B-6fivA:
15.4		 3el9B-6fivA:
29.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.94A 3el9B-6upjA:
17.9		 3el9B-6upjA:
47.47