SIMILAR PATTERNS OF AMINO ACIDS FOR 2FXD_A_DR7A102_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.
1erz N-CARBAMYL-D-AMINO
ACID AMIDOHYDROLASE

(Agrobacterium
sp. KNK712) 		PF00795
(CN_hydrolase) 		4 ALA A 164
ASP A 160
GLY A 167
ILE A 191
 None
 0.70A 2fxdB-1erzA:
undetectable		 2fxdB-1erzA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hbz CATALASE

(Micrococcus
luteus) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ARG A 112
ALA A 465
GLY A 477
ILE A 476
 None
 0.82A 2fxdB-1hbzA:
undetectable		 2fxdB-1hbzA:
10.69
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
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 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)
 0.45A 2fxdB-1hvcA:
13.9		 2fxdB-1hvcA:
43.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		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)
 0.45A 2fxdB-1hvcA:
13.9		 2fxdB-1hvcA:
43.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
ASP A  25
ASP A  30
GLY A  49
PRO A  81
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
 1.36A 2fxdB-1hvcA:
13.9		 2fxdB-1hvcA:
43.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 ASP A  25
ALA A  28
ILE A  50
PRO A  81
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.67A 2fxdB-1hvcA:
13.9		 2fxdB-1hvcA:
43.35
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.
1i8f PUTATIVE SNRNP
SM-LIKE PROTEIN

(Pyrobaculum
aerophilum) 		PF01423
(LSM) 		4 ASP A  51
GLY A  21
ILE A  20
PRO A  78
 None
 0.78A 2fxdB-1i8fA:
undetectable		 2fxdB-1i8fA:
21.78
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.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ALA A 445
GLY A 427
ILE A 429
PRO A 442
 None
 0.87A 2fxdB-1itzA:
undetectable		 2fxdB-1itzA:
8.59
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.
1lsh LIPOVITELLIN (LV-1N,
LV-1C)

(Ichthyomyzon
unicuspis) 		PF01347
(Vitellogenin_N)
PF09172
(DUF1943) 		4 ARG A 806
GLY A 814
ILE A 815
PRO A 284
 None
None
UPL  A2014 ( 4.6A)
None
 0.70A 2fxdB-1lshA:
undetectable		 2fxdB-1lshA:
6.21
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.
1pmi PHOSPHOMANNOSE
ISOMERASE

(Candida
albicans) 		PF01238
(PMI_typeI) 		4 ASP A 291
ALA A  26
GLY A  22
ILE A  21
 None
 0.78A 2fxdB-1pmiA:
undetectable		 2fxdB-1pmiA:
13.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 0.44A 2fxdB-1sivA:
18.6		 2fxdB-1sivA:
50.98
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
 0.42A 2fxdB-1sivA:
18.6		 2fxdB-1sivA:
50.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ALA A 665
ASP A 664
GLY A 690
ILE A 726
 None
 0.89A 2fxdB-1u1hA:
undetectable		 2fxdB-1u1hA:
8.40
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.
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
 0.88A 2fxdB-1zz3A:
undetectable		 2fxdB-1zz3A:
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.
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
 0.72A 2fxdB-2bbkH:
undetectable		 2fxdB-2bbkH:
13.45
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.
2cvj THIOREDOXIN
REDUCTASE RELATED
PROTEIN

(Thermus
thermophilus) 		PF00890
(FAD_binding_2)
PF07992
(Pyr_redox_2) 		4 ALA A 144
GLY A 150
ILE A 154
PRO A  11
 None
FAD  A2304 (-3.4A)
None
FAD  A2304 (-3.9A)
 0.76A 2fxdB-2cvjA:
undetectable		 2fxdB-2cvjA:
14.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0d 2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 ALA A 201
ASP A 200
GLY A 130
ILE A 110
 None
 0.89A 2fxdB-2d0dA:
undetectable		 2fxdB-2d0dA:
15.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d1q LUCIFERIN
4-MONOOXYGENASE

(Luciola
cruciata) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ASP A 438
ALA A 454
GLY A 470
ILE A 537
 None
 0.88A 2fxdB-2d1qA:
undetectable		 2fxdB-2d1qA:
12.39
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.
2dfa HYPOTHETICAL UPF0271
PROTEIN TTHB195

(Thermus
thermophilus) 		PF03746
(LamB_YcsF) 		4 ASP A  21
ALA A   9
ASP A   8
GLY A  39
 None
 0.93A 2fxdB-2dfaA:
undetectable		 2fxdB-2dfaA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 ALA A 225
ASP A 224
GLY A 105
ILE A 230
 None
 0.83A 2fxdB-2f43A:
undetectable		 2fxdB-2f43A:
12.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fjk FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Thermus
caldophilus) 		PF01116
(F_bP_aldolase) 		4 ASP A  80
ALA A  47
GLY A  20
ILE A 250
 13P  A1063 (-3.1A)
None
None
None
 0.91A 2fxdB-2fjkA:
undetectable		 2fxdB-2fjkA:
14.10
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 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  55
 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)
 0.39A 2fxdB-2fmbA:
14.8		 2fxdB-2fmbA:
33.02
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
ALA A  28
ASP A  29
GLY A  55
PRO A  86
 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)
 0.50A 2fxdB-2fmbA:
14.8		 2fxdB-2fmbA:
33.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h5z LYSOZYME 1

(Musca domestica) 		PF00062
(Lys) 		4 ALA A  80
ASP A  79
GLY A  52
ILE A  53
 None
 0.88A 2fxdB-2h5zA:
undetectable		 2fxdB-2h5zA:
17.21
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.
2i0m PHOSPHATE TRANSPORT
SYSTEM PROTEIN PHOU

(Streptococcus
pneumoniae) 		PF01895
(PhoU) 		4 ALA A 194
ASP A 195
GLY A 188
ILE A 187
 None
ZN  A 217 (-2.7A)
None
None
 0.89A 2fxdB-2i0mA:
undetectable		 2fxdB-2i0mA:
19.91
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.
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)
 0.68A 2fxdB-2isqA:
undetectable		 2fxdB-2isqA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ALA A 606
ASP A 610
GLY A 640
ILE A 643
 None
 0.74A 2fxdB-2iukA:
undetectable		 2fxdB-2iukA:
7.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j4t ANGIOGENIN-4

(Mus musculus) 		PF00074
(RnaseA) 		4 ARG A  32
ALA A  94
ILE A  76
PRO A  17
 None
 0.88A 2fxdB-2j4tA:
undetectable		 2fxdB-2j4tA:
21.90
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.
2jyb DIHYDROFOLATE
REDUCTASE

(Haloferax
volcanii) 		PF00186
(DHFR_1) 		4 ALA A   7
GLY A 102
ILE A 105
PRO A 132
 None
 0.73A 2fxdB-2jybA:
undetectable		 2fxdB-2jybA:
21.43
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)
 0.53A 2fxdB-2rkfA:
20.6		 2fxdB-2rkfA:
79.80
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
 0.74A 2fxdB-2rspA:
12.6		 2fxdB-2rspA:
30.65
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.
2toh TYROSINE
3-MONOOXYGENASE

(Rattus
norvegicus) 		PF00351
(Biopterin_H) 		4 ARG A 451
ALA A 359
GLY A 353
ILE A 352
 None
 0.93A 2fxdB-2tohA:
undetectable		 2fxdB-2tohA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x4g NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		4 ARG A 213
ALA A 221
GLY A 178
ILE A 179
 None
 0.84A 2fxdB-2x4gA:
undetectable		 2fxdB-2x4gA:
13.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y0n MALE-SPECIFIC LETHAL
3 HOMOLOG

(Homo sapiens) 		PF05712
(MRG) 		4 ARG A 196
ASP A 187
GLY A 452
PRO A 500
 None
 0.81A 2fxdB-2y0nA:
undetectable		 2fxdB-2y0nA:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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) 		4 ALA A 611
GLY A 641
ILE A 642
PRO A 604
 None
 0.86A 2fxdB-2yn9A:
undetectable		 2fxdB-2yn9A:
6.76
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 4 ARG A 146
ASP A  94
ALA A  65
ILE A  35
 None
 0.88A 2fxdB-3a0fA:
undetectable		 2fxdB-3a0fA:
8.27
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.
3axy PROTEIN HEADING DATE
3A

(Oryza sativa) 		PF01161
(PBP) 		4 ASP A  73
ALA A  76
GLY A 118
ILE A 119
 None
 0.85A 2fxdB-3axyA:
undetectable		 2fxdB-3axyA:
19.51
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.
3b0p TRNA-DIHYDROURIDINE
SYNTHASE

(Thermus
thermophilus) 		PF01207
(Dus) 		4 ARG A 134
ALA A  65
ASP A  39
GLY A 101
 None
 0.83A 2fxdB-3b0pA:
undetectable		 2fxdB-3b0pA:
12.28
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.
3bcz PROTEIN MEMO1

(Homo sapiens) 		PF01875
(Memo) 		4 ARG A   8
ASP A 102
GLY A  21
PRO A 138
 None
 0.83A 2fxdB-3bczA:
undetectable		 2fxdB-3bczA:
19.13
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.
3cai POSSIBLE
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00266
(Aminotran_5) 		4 ARG A 341
ALA A 353
ASP A  23
GLY A 350
 None
 0.93A 2fxdB-3caiA:
undetectable		 2fxdB-3caiA:
12.28
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.
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
 0.75A 2fxdB-3ce9A:
undetectable		 2fxdB-3ce9A:
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.
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
 0.57A 2fxdB-3djlA:
undetectable		 2fxdB-3djlA:
10.76
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.
3djl PROTEIN AIDB

(Escherichia
coli) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		4 ALA A 317
GLY A 401
ILE A 403
PRO A 412
 None
 0.84A 2fxdB-3djlA:
undetectable		 2fxdB-3djlA:
10.76
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.
3ego PROBABLE
2-DEHYDROPANTOATE
2-REDUCTASE

(Bacillus
subtilis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 ALA A  58
ASP A  59
GLY A   4
ILE A   3
 None
 0.91A 2fxdB-3egoA:
undetectable		 2fxdB-3egoA:
15.88
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.
3f67 PUTATIVE
DIENELACTONE
HYDROLASE

(Klebsiella
pneumoniae) 		PF01738
(DLH) 		4 ARG A  67
GLY A 122
ILE A 125
PRO A  62
 None
 0.75A 2fxdB-3f67A:
undetectable		 2fxdB-3f67A:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.90A 2fxdB-3h08A:
undetectable		 2fxdB-3h08A:
19.87
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.
3hgo 12-OXOPHYTODIENOATE
REDUCTASE 3

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		4 ALA A 231
ASP A 232
GLY A 235
ILE A 184
 None
 0.90A 2fxdB-3hgoA:
undetectable		 2fxdB-3hgoA:
15.50
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.
3hhe RIBOSE-5-PHOSPHATE
ISOMERASE A

(Bartonella
henselae) 		PF06026
(Rib_5-P_isom_A) 		4 ASP A 107
GLY A 150
ILE A 209
PRO A 111
 5RP  A 501 (-2.6A)
None
None
None
 0.91A 2fxdB-3hheA:
undetectable		 2fxdB-3hheA:
18.60
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.
3j9d OUTER CAPSID PROTEIN
VP2

(Bluetongue
virus) 		PF00898
(Orbi_VP2) 		4 ALA A 586
GLY A 578
ILE A  56
PRO A 545
 None
 0.93A 2fxdB-3j9dA:
undetectable		 2fxdB-3j9dA:
7.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khd PYRUVATE KINASE

(Plasmodium
falciparum) 		PF00224
(PK)
PF02887
(PK_C) 		4 ALA A 242
ASP A 244
GLY A 270
ILE A 272
 None
 0.93A 2fxdB-3khdA:
undetectable		 2fxdB-3khdA:
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.
3mdq EXOPOLYPHOSPHATASE

(Cytophaga
hutchinsonii) 		PF02541
(Ppx-GppA) 		4 ALA A  72
ASP A  69
GLY A   6
ILE A   5
 None
 0.93A 2fxdB-3mdqA:
undetectable		 2fxdB-3mdqA:
14.92
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
 0.40A 2fxdB-3mwsA:
20.0		 2fxdB-3mwsA:
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.
3owq LIN1025 PROTEIN

(Listeria
innocua) 		PF03816
(LytR_cpsA_psr) 		4 ALA A 169
ASP A 168
GLY A 162
ILE A 158
 None
 0.86A 2fxdB-3owqA:
undetectable		 2fxdB-3owqA:
17.89
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
 0.83A 2fxdB-3t3cA:
18.4		 2fxdB-3t3cA:
76.77
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)
 0.58A 2fxdB-3t3cA:
18.4		 2fxdB-3t3cA:
76.77
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)
 1.17A 2fxdB-3t3cA:
18.4		 2fxdB-3t3cA:
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.
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
 0.87A 2fxdB-3t9pA:
undetectable		 2fxdB-3t9pA:
14.54
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.
3tb4 VIBRIOBACTIN-SPECIFI
C ISOCHORISMATASE

(Vibrio cholerae) 		PF00857
(Isochorismatase) 		4 ALA A 174
ASP A 175
GLY A 170
ILE A 169
 None
 0.85A 2fxdB-3tb4A:
undetectable		 2fxdB-3tb4A:
20.28
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.
3tbk RIG-I HELICASE
DOMAIN

(Mus musculus) 		PF00271
(Helicase_C)
PF04851
(ResIII) 		4 ARG A 444
ALA A 437
ASP A 436
GLY A 778
 None
 0.72A 2fxdB-3tbkA:
undetectable		 2fxdB-3tbkA:
13.29
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.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 ARG A 245
ALA A 217
GLY A 220
PRO A 330
 None
 0.71A 2fxdB-3ttfA:
undetectable		 2fxdB-3ttfA:
9.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
 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)
 0.40A 2fxdB-3ttpA:
19.4		 2fxdB-3ttpA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 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)
 0.56A 2fxdB-3ttpA:
19.4		 2fxdB-3ttpA:
75.76
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  29
GLY A  49
ILE A  50
 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)
 0.40A 2fxdB-3u7sA:
19.8		 2fxdB-3u7sA:
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) 		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)
 1.43A 2fxdB-3u7sA:
19.8		 2fxdB-3u7sA:
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) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 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)
 0.65A 2fxdB-3u7sA:
19.8		 2fxdB-3u7sA:
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) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 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)
 1.25A 2fxdB-3u7sA:
19.8		 2fxdB-3u7sA:
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) 		4 ARG A   8
ASP A  25
ALA A  28
ASP A  29
 None
 0.72A 2fxdB-3uhlA:
16.0		 2fxdB-3uhlA:
81.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.83A 2fxdB-3w2iA:
undetectable		 2fxdB-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.
3wrc GALLATE DIOXYGENASE

(Sphingomonas
paucimobilis) 		PF02900
(LigB)
PF07746
(LigA) 		4 ARG A 143
ALA A 185
GLY A   6
ILE A   4
 None
 0.93A 2fxdB-3wrcA:
undetectable		 2fxdB-3wrcA:
13.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Bacillus
anthracis) 		PF02222
(ATP-grasp)
PF02826
(2-Hacid_dh_C) 		4 ALA A 283
ASP A 282
GLY A 277
ILE A 194
 ALA  A 283 ( 0.0A)
ASP  A 282 ( 0.6A)
GLY  A 277 ( 0.0A)
ILE  A 194 ( 0.7A)
 0.84A 2fxdB-4dlkA:
undetectable		 2fxdB-4dlkA:
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.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B) 		4 ALA A 370
ASP A 371
GLY A 638
ILE A 595
 None
 0.90A 2fxdB-4fwtA:
undetectable		 2fxdB-4fwtA:
6.01
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.
4fxp ADENYLYL-SULFATE
KINASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01583
(APS_kinase) 		4 ARG A 185
ASP A 187
ALA A 156
PRO A 238
 None
 0.92A 2fxdB-4fxpA:
undetectable		 2fxdB-4fxpA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hdj OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMB

(Pseudomonas
aeruginosa) 		PF13360
(PQQ_2) 		4 ALA A 194
GLY A 160
ILE A 159
PRO A 142
 None
 0.88A 2fxdB-4hdjA:
undetectable		 2fxdB-4hdjA:
16.04
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.
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 2fxdB-4hlnA:
undetectable		 2fxdB-4hlnA:
10.11
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.
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 2fxdB-4hyjA:
undetectable		 2fxdB-4hyjA:
16.14
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.
4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN

(Lactobacillus
acidophilus) 		PF06100
(MCRA) 		4 ASP A 504
GLY A 495
ILE A 494
PRO A 481
 None
 0.79A 2fxdB-4ia5A:
undetectable		 2fxdB-4ia5A:
9.01
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.
4jyj ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		4 ALA A 120
ASP A 121
GLY A  54
ILE A  19
 None
 0.77A 2fxdB-4jyjA:
undetectable		 2fxdB-4jyjA:
17.81
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.
4n6f PUTATIVE THIOSUGAR
SYNTHASE

(Amycolatopsis
orientalis) 		PF05690
(ThiG) 		4 ARG A  61
ASP A 112
GLY A  29
ILE A  30
 None
F6R  A 304 (-3.4A)
F6R  A 304 ( 3.7A)
None
 0.86A 2fxdB-4n6fA:
undetectable		 2fxdB-4n6fA:
18.92
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
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 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)
 0.42A 2fxdB-4njvA:
20.5		 2fxdB-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.
4qfi ANGIOGENIN

(Rattus
norvegicus) 		PF00074
(RnaseA) 		4 ALA A  95
GLY A  98
ILE A  77
PRO A  18
 None
 0.82A 2fxdB-4qfiA:
undetectable		 2fxdB-4qfiA:
21.60
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.
4qfi ANGIOGENIN

(Rattus
norvegicus) 		PF00074
(RnaseA) 		4 ARG A  33
ALA A  95
ILE A  77
PRO A  18
 None
 0.92A 2fxdB-4qfiA:
undetectable		 2fxdB-4qfiA:
21.60
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)
 0.57A 2fxdB-4ydfA:
12.7		 2fxdB-4ydfA:
31.62
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.
4yu5 IMMUNE INHIBITOR A,
METALLOPROTEASE

(Bacillus cereus) 		PF05547
(Peptidase_M6) 		4 ASP A 329
ASP A 259
GLY A  89
ILE A  84
 None
CA  A1004 (-3.3A)
None
None
 0.93A 2fxdB-4yu5A:
undetectable		 2fxdB-4yu5A:
8.47
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.
4yuf CORB

(Corallococcus
coralloides) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 ALA A 119
GLY A  88
ILE A 294
PRO A 299
 None
 0.85A 2fxdB-4yufA:
undetectable		 2fxdB-4yufA:
14.33
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
 0.67A 2fxdB-5b18A:
18.0		 2fxdB-5b18A:
75.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.88A 2fxdB-5dynA:
undetectable		 2fxdB-5dynA:
21.80
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.
5fl7 ATP SYNTHASE SUBUNIT
ALPHA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 ALA A 251
ASP A 250
GLY A 131
ILE A 256
 None
 0.74A 2fxdB-5fl7A:
undetectable		 2fxdB-5fl7A:
10.25
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.
5gle ISCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 4 ALA A 176
ASP A 177
GLY A 172
ILE A 171
 None
 0.80A 2fxdB-5gleA:
undetectable		 2fxdB-5gleA:
19.90
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.
5gv1 ENDO-1,4-BETA-XYLANA
SE

(termite gut
metagenome) 		PF00457
(Glyco_hydro_11) 		4 ARG A 211
ALA A 254
GLY A  68
ILE A  14
 None
 0.89A 2fxdB-5gv1A:
undetectable		 2fxdB-5gv1A:
15.81
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.
5lp4 PENICILLIN-BINDING
PROTEIN 2 (PBP2)

(Helicobacter
pylori) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 ALA A 305
GLY A 406
ILE A 407
PRO A 309
 None
 0.77A 2fxdB-5lp4A:
undetectable		 2fxdB-5lp4A:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nfq EPOXIDE HYDROLASE
BELONGING TO
ALPHA/BETA HYDROLASE
SUPERFAMILY
METAGENOMIC FROM
TOMSK SAMPLE

(metagenome) 		no annotation 4 ALA A  88
ASP A  89
GLY A  82
ILE A  81
 None
PEG  A 402 (-3.8A)
PGE  A 413 (-3.4A)
None
 0.92A 2fxdB-5nfqA:
undetectable		 2fxdB-5nfqA:
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.
5nri D-ALANINE--D-ALANINE
LIGASE

(Burkholderia
pseudomallei) 		no annotation 4 ARG A 126
ASP A 128
ASP A 136
ILE A 182
 EDO  A 408 (-3.7A)
None
None
None
 0.91A 2fxdB-5nriA:
undetectable		 2fxdB-5nriA:
22.34
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
 0.54A 2fxdB-5t2zA:
20.1		 2fxdB-5t2zA:
79.80
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
 1.47A 2fxdB-5t2zA:
20.1		 2fxdB-5t2zA:
79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w1j THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Echinococcus
granulosus) 		no annotation 4 ARG A 462
ASP A 459
ASP A  52
GLY A  59
 None
 0.92A 2fxdB-5w1jA:
undetectable		 2fxdB-5w1jA:
12.83
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.
5wc2 PACHYTENE CHECKPOINT
PROTEIN 2 HOMOLOG

(Homo sapiens) 		no annotation 4 ASP A 252
ALA A 253
GLY A 179
ILE A 319
 ADP  A 501 ( 4.7A)
None
None
None
 0.89A 2fxdB-5wc2A:
undetectable		 2fxdB-5wc2A:
20.20
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.
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)
 0.33A 2fxdB-6fivA:
15.5		 2fxdB-6fivA:
27.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
 0.77A 2fxdB-6upjA:
17.8		 2fxdB-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
ASP A  25
ALA A  28
GLY A  49
PRO A  81
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
None
 0.86A 2fxdB-6upjA:
17.8		 2fxdB-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.87A 2fxdB-6upjA:
17.8		 2fxdB-6upjA:
48.48