SIMILAR PATTERNS OF AMINO ACIDS FOR 3U7S_A_017A201

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.
1aip ELONGATION FACTOR TS

(Thermus
thermophilus) 		PF00889
(EF_TS) 		5 GLY C  15
ALA C  16
ASP C  20
GLY C 181
ILE C 180
 None
 0.93A 3u7sA-1aipC:
undetectable		 3u7sA-1aipC:
17.91
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.
1fu1 DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU A 126
ALA A  42
GLY A  45
ILE A  34
VAL A 122
 None
 0.77A 3u7sA-1fu1A:
undetectable		 3u7sA-1fu1A:
21.13
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.
1hqb APO-D-ALANYL CARRIER
PROTEIN

(Lactobacillus
casei) 		PF00550
(PP-binding) 		6 LEU A  29
GLY A  19
ALA A  15
ASP A  16
ASP A  12
VAL A  23
 None
 1.48A 3u7sA-1hqbA:
undetectable		 3u7sA-1hqbA:
21.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.8A)
 1.25A 3u7sA-1hvcA:
13.3		 3u7sA-1hvcA:
39.90
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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
 0.81A 3u7sA-1hvcA:
13.3		 3u7sA-1hvcA:
39.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 3.8A)
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)
 1.20A 3u7sA-1hvcA:
13.3		 3u7sA-1hvcA:
39.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 4.0A)
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)
 1.20A 3u7sA-1hvcA:
13.3		 3u7sA-1hvcA:
39.90
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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.6A)
 0.86A 3u7sA-1hvcA:
13.3		 3u7sA-1hvcA:
39.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.41A 3u7sA-1hvcA:
13.3		 3u7sA-1hvcA:
39.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 0.42A 3u7sA-1hvcA:
13.3		 3u7sA-1hvcA:
39.90
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 LEU B 538
GLY B  58
ASP B 484
GLY B  34
ILE B  35
 None
 0.85A 3u7sA-1k5sB:
undetectable		 3u7sA-1k5sB:
12.16
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.
1l5x SURVIVAL PROTEIN E

(Pyrobaculum
aerophilum) 		PF01975
(SurE) 		5 LEU A 237
GLY A 110
ALA A 112
GLY A  91
VAL A 167
 None
 0.84A 3u7sA-1l5xA:
undetectable		 3u7sA-1l5xA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pz3 ALPHA-L-ARABINOFURAN
OSIDASE

(Geobacillus
stearothermophilus) 		PF06964
(Alpha-L-AF_C) 		5 LEU A 231
GLY A 214
ASP A 177
GLY A 173
VAL A 230
 None
 0.96A 3u7sA-1pz3A:
undetectable		 3u7sA-1pz3A:
13.27
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) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
 0.45A 3u7sA-1q9pA:
10.4		 3u7sA-1q9pA:
75.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
 None
 0.88A 3u7sA-1sivA:
18.7		 3u7sA-1sivA:
47.47
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) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.22A 3u7sA-1sivA:
18.7		 3u7sA-1sivA:
47.47
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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
 0.44A 3u7sA-1sivA:
18.7		 3u7sA-1sivA:
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.
1w8j MYOSIN VA

(Gallus gallus) 		PF00063
(Myosin_head) 		5 GLY A 236
ALA A 237
GLY A 434
ILE A 433
VAL A 196
 None
 0.94A 3u7sA-1w8jA:
undetectable		 3u7sA-1w8jA:
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.
1wwk PHOSPHOGLYCERATE
DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 302
GLY A  21
ALA A  20
ILE A  14
VAL A 299
 None
 0.89A 3u7sA-1wwkA:
undetectable		 3u7sA-1wwkA:
16.29
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.
1y8t HYPOTHETICAL PROTEIN
RV0983

(Mycobacterium
tuberculosis) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 LEU A 295
GLY A 259
ALA A 258
GLY A 252
VAL A 309
 None
 0.93A 3u7sA-1y8tA:
undetectable		 3u7sA-1y8tA:
15.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zxq INTERCELLULAR
ADHESION MOLECULE-2

(Homo sapiens) 		PF03921
(ICAM_N) 		5 GLY A 103
ALA A 155
ASP A 156
ASP A 159
VAL A 100
 None
 0.90A 3u7sA-1zxqA:
undetectable		 3u7sA-1zxqA:
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.
2cvj THIOREDOXIN
REDUCTASE RELATED
PROTEIN

(Thermus
thermophilus) 		PF00890
(FAD_binding_2)
PF07992
(Pyr_redox_2) 		5 LEU A 170
GLY A  24
ALA A  23
ASP A 177
VAL A 167
 None
 0.66A 3u7sA-2cvjA:
undetectable		 3u7sA-2cvjA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		5 LEU A 258
GLY A 227
ALA A 228
ILE A 239
VAL A 260
 None
 0.80A 3u7sA-2cy8A:
undetectable		 3u7sA-2cy8A:
13.87
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.
2dfs MYOSIN-5A

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ) 		5 GLY A 236
ALA A 237
GLY A 434
ILE A 433
VAL A 196
 None
 0.92A 3u7sA-2dfsA:
undetectable		 3u7sA-2dfsA:
6.24
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.
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 LEU A  90
GLY A 254
ALA A 255
GLY A 347
ILE A 250
 None
 0.86A 3u7sA-2dwsA:
undetectable		 3u7sA-2dwsA:
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.
2ewn BIRA BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		5 LEU A 131
GLY A 186
ALA A 185
GLY A 154
ILE A 153
 None
BTX  A 501 (-3.3A)
None
None
None
 0.88A 3u7sA-2ewnA:
undetectable		 3u7sA-2ewnA:
19.29
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  55
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
 0.27A 3u7sA-2fmbA:
15.1		 3u7sA-2fmbA:
27.88
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  54
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
 0.73A 3u7sA-2fmbA:
15.1		 3u7sA-2fmbA:
27.88
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.
2ice COMPLEMENT C3 BETA
CHAIN

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		5 LEU A 471
GLY A 621
ALA A 620
GLY A 615
VAL A 510
 None
 0.76A 3u7sA-2iceA:
undetectable		 3u7sA-2iceA:
10.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2m1i PARVULIN-LIKE
PEPTIDYL-PROLYL
ISOMERASE

(Cenarchaeum
symbiosum) 		PF13616
(Rotamase_3) 		5 LEU A  16
ASP A  46
GLY A  48
ASP A  53
GLY A  57
 None
 0.91A 3u7sA-2m1iA:
undetectable		 3u7sA-2m1iA:
22.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
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)
 1.29A 3u7sA-2rkfA:
20.2		 3u7sA-2rkfA:
79.80
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 0.35A 3u7sA-2rkfA:
20.2		 3u7sA-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) 		5 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ASP A  41
 None
 0.25A 3u7sA-2rspA:
12.9		 3u7sA-2rspA:
32.28
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.
2v8n LACTOSE PERMEASE

(Escherichia
coli) 		PF01306
(LacY_symp) 		5 LEU A 172
GLY A  24
ALA A  25
GLY A 262
VAL A 169
 None
 0.96A 3u7sA-2v8nA:
undetectable		 3u7sA-2v8nA:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 LEU A 243
GLY A 248
ALA A 249
ASP A 250
ASP A 251
 None
 0.78A 3u7sA-2vn8A:
undetectable		 3u7sA-2vn8A:
14.85
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.
2ygu VENOM ALLERGEN 2

(Solenopsis
invicta) 		no annotation 5 GLY A 108
ALA A 107
GLY A 102
ILE A 101
VAL A  78
 None
None
None
HP6  A1118 (-4.8A)
None
 0.94A 3u7sA-2yguA:
undetectable		 3u7sA-2yguA:
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.
3ckm YRAM (HI1655)

(Haemophilus
influenzae) 		PF04348
(LppC) 		6 LEU A 261
GLY A 520
ALA A 523
ASP A 522
GLY A 359
VAL A 317
 None
 1.33A 3u7sA-3ckmA:
undetectable		 3u7sA-3ckmA:
14.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eeq PUTATIVE COBALAMIN
BIOSYNTHESIS PROTEIN
G HOMOLOG

(Sulfolobus
solfataricus) 		PF01890
(CbiG_C)
PF11760
(CbiG_N) 		5 LEU A 318
GLY A 219
ALA A 306
GLY A 250
ILE A 249
 None
 0.86A 3u7sA-3eeqA:
undetectable		 3u7sA-3eeqA:
12.84
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.
3gmi UPF0348 PROTEIN
MJ0951

(Methanocaldococcus
jannaschii) 		PF05636
(HIGH_NTase1)
PF16581
(HIGH_NTase1_ass) 		5 LEU A  62
GLY A 111
ALA A 112
ASP A 113
GLY A  73
 None
 0.92A 3u7sA-3gmiA:
undetectable		 3u7sA-3gmiA:
13.87
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.
3hs0 COBRA VENOM FACTOR

(Naja kaouthia) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		5 LEU A 460
GLY A 603
ALA A 602
GLY A 597
VAL A 499
 None
 0.77A 3u7sA-3hs0A:
undetectable		 3u7sA-3hs0A:
10.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.79A 3u7sA-3i5gA:
undetectable		 3u7sA-3i5gA:
8.61
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 211
GLY A 216
ALA A 217
ASP A 218
ILE A 190
 None
 0.72A 3u7sA-3jv7A:
undetectable		 3u7sA-3jv7A:
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.
3kaq FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		5 LEU A  88
GLY A  82
ALA A  47
ASP A  48
VAL A  53
 None
 0.85A 3u7sA-3kaqA:
undetectable		 3u7sA-3kaqA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mmp ELONGATION FACTOR TU
2, ELONGATION FACTOR
TS

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A  16
ALA A  17
ASP A  21
GLY A 126
ILE A 125
 None
 0.93A 3u7sA-3mmpA:
undetectable		 3u7sA-3mmpA:
10.30
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.
3mud DNA REPAIR PROTEIN
XRCC4,TROPOMYOSIN
ALPHA-1 CHAIN

(Gallus gallus;
Homo sapiens) 		PF06632
(XRCC4) 		5 LEU A 126
ALA A  42
GLY A  45
ILE A  34
VAL A 122
 None
 0.81A 3u7sA-3mudA:
undetectable		 3u7sA-3mudA:
20.13
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 None
 0.83A 3u7sA-3mwsA:
19.7		 3u7sA-3mwsA:
69.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.25A 3u7sA-3mwsA:
19.7		 3u7sA-3mwsA:
69.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
 0.47A 3u7sA-3mwsA:
19.7		 3u7sA-3mwsA:
69.70
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 0.31A 3u7sA-3mwsA:
19.7		 3u7sA-3mwsA:
69.70
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.
3nec INFLAMMATORY
PROFILIN

(Toxoplasma
gondii) 		PF00235
(Profilin) 		5 GLY A  41
ALA A  35
ASP A   5
ILE A 133
VAL A  13
 None
 0.93A 3u7sA-3necA:
undetectable		 3u7sA-3necA:
21.64
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.
3oec CARVEOL
DEHYDROGENASE
(MYTHA.01326.C,
A0R518 HOMOLOG)

(Mycolicibacterium
thermoresistibile) 		PF13561
(adh_short_C2) 		5 GLY A 147
ALA A 148
GLY A 122
ILE A 123
VAL A 193
 None
 0.96A 3u7sA-3oecA:
undetectable		 3u7sA-3oecA:
15.82
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.
3q4f DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU C 126
ALA C  42
GLY C  45
ILE C  34
VAL C 122
 None
 0.83A 3u7sA-3q4fC:
undetectable		 3u7sA-3q4fC:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
 0.28A 3u7sA-3slzA:
11.9		 3u7sA-3slzA:
26.12
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
VAL A  84
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.34A 3u7sA-3t3cA:
19.0		 3u7sA-3t3cA:
69.70
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.
3ttg PUTATIVE
AMINOMETHYLTRANSFERA
SE

(Leptospirillum
rubarum) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 LEU A 263
GLY A 260
GLY A 287
ILE A 288
VAL A 326
 None
None
CL  A 336 ( 3.9A)
CL  A 336 ( 4.6A)
None
 0.96A 3u7sA-3ttgA:
undetectable		 3u7sA-3ttgA:
14.97
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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
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)
 1.22A 3u7sA-3ttpA:
20.3		 3u7sA-3ttpA:
83.84
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 0.42A 3u7sA-3ttpA:
20.3		 3u7sA-3ttpA:
83.84
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) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  84
 None
 0.27A 3u7sA-3uhlA:
16.9		 3u7sA-3uhlA:
80.81
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.
3w03 DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU C 126
ALA C  42
GLY C  45
ILE C  34
VAL C 122
 None
 0.77A 3u7sA-3w03C:
undetectable		 3u7sA-3w03C:
20.13
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.
4ehc PE-PGRS FAMILY
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A  34
ASP A  36
GLY A  38
GLY A  66
VAL A 115
 None
ZN  A 301 (-2.3A)
ZN  A 301 ( 3.9A)
EDO  A 328 (-3.6A)
None
 0.86A 3u7sA-4ehcA:
8.0		 3u7sA-4ehcA:
18.51
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.
4hjh PHOSPHOMANNOMUTASE

(Brucella
melitensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A  42
GLY A  73
ALA A  72
GLY A  67
VAL A  33
 None
 0.93A 3u7sA-4hjhA:
undetectable		 3u7sA-4hjhA:
13.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ida RIPENING-INDUCED
PROTEIN

(Fragaria vesca) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 LEU A 203
GLY A 208
ALA A 209
ASP A 210
ILE A 179
 None
 0.71A 3u7sA-4idaA:
undetectable		 3u7sA-4idaA:
16.61
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.
4il5 CYSTEINE SYNTHASE

(Entamoeba
histolytica) 		PF00291
(PALP) 		5 LEU A  75
ALA A  96
GLY A  90
ILE A 106
VAL A  66
 None
 0.94A 3u7sA-4il5A:
undetectable		 3u7sA-4il5A:
16.32
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.
4il5 CYSTEINE SYNTHASE

(Entamoeba
histolytica) 		PF00291
(PALP) 		5 LEU A  75
GLY A  97
ALA A  96
GLY A  90
ILE A 106
 None
 0.95A 3u7sA-4il5A:
undetectable		 3u7sA-4il5A:
16.32
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.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 ALA A 224
ASP A 225
ASP A 226
GLY A 218
ILE A 217
 None
 0.97A 3u7sA-4kkmA:
undetectable		 3u7sA-4kkmA:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4maa PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		5 LEU A 105
GLY A 128
ALA A 129
ASP A 130
GLY A 179
 GOL  A 503 ( 4.4A)
GOL  A 503 (-3.7A)
None
None
None
 0.92A 3u7sA-4maaA:
undetectable		 3u7sA-4maaA:
15.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
 0.80A 3u7sA-4njvA:
20.1		 3u7sA-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
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)
 1.24A 3u7sA-4njvA:
20.1		 3u7sA-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
 0.46A 3u7sA-4njvA:
20.1		 3u7sA-4njvA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.32A 3u7sA-4njvA:
20.1		 3u7sA-4njvA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pel PENICILLIN G ACYLASE
SUBUNIT BETA

(Kluyvera
cryocrescens) 		PF01804
(Penicil_amidase) 		5 LEU B 538
GLY B  58
ASP B 484
GLY B  34
ILE B  35
 None
 0.85A 3u7sA-4pelB:
undetectable		 3u7sA-4pelB:
12.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rlb CARBAPENEM-ASSOCIATE
D RESISTANCE PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 GLY A 196
ASP A 201
ASP A 123
GLY A 192
ILE A 188
 None
 0.93A 3u7sA-4rlbA:
undetectable		 3u7sA-4rlbA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 LEU A 168
ALA A 175
ASP A 176
ASP A 177
ILE A 118
 None
 0.83A 3u7sA-4ttpA:
undetectable		 3u7sA-4ttpA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wuv 2-HYDROXYCYCLOHEXANE
CARBOXYL-COA
DEHYDROGENASE

(Haemophilus
influenzae) 		PF00106
(adh_short) 		5 LEU A  74
GLY A 101
ALA A 100
ILE A 188
VAL A  73
 NAD  A 301 ( 4.2A)
NAD  A 301 (-2.8A)
NAD  A 301 ( 4.4A)
None
NAD  A 301 (-3.6A)
 0.94A 3u7sA-4wuvA:
undetectable		 3u7sA-4wuvA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y0w YEAZ

(Pseudomonas
aeruginosa) 		PF00814
(Peptidase_M22) 		5 LEU A 211
ASP A  95
GLY A  71
ILE A  74
VAL A 213
 None
 0.87A 3u7sA-4y0wA:
undetectable		 3u7sA-4y0wA:
16.17
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.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 LEU A  30
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)
 0.35A 3u7sA-4ydfA:
13.3		 3u7sA-4ydfA:
29.57
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) 		5 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
 0.71A 3u7sA-5b18A:
18.9		 3u7sA-5b18A:
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.
5chx XRCC4-MYH7-1590-1657

(Homo sapiens) 		PF01576
(Myosin_tail_1)
PF06632
(XRCC4) 		5 LEU A 126
ALA A  42
GLY A  45
ILE A  34
VAL A 122
 None
 0.79A 3u7sA-5chxA:
undetectable		 3u7sA-5chxA:
22.33
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.
5cj0 XRCC4-MYH7-(1631-169
2) CHIMERA PROTEIN

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU A 126
ALA A  42
GLY A  45
ILE A  34
VAL A 122
 None
 0.77A 3u7sA-5cj0A:
undetectable		 3u7sA-5cj0A:
22.05
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.
5cj4 XRCC4-MYH7-(1562-162
2) CHIMERA PROTEIN

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU A 126
ALA A  42
GLY A  45
ILE A  34
VAL A 122
 None
 0.80A 3u7sA-5cj4A:
undetectable		 3u7sA-5cj4A:
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 GLY A 809
ALA A 806
GLY A1087
ILE A1085
VAL A 803
 None
MTE  A3003 (-3.8A)
MTE  A3003 ( 3.4A)
None
None
 0.97A 3u7sA-5epgA:
undetectable		 3u7sA-5epgA:
5.98
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.
5fg3 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 GLY A 317
ALA A 316
GLY A 244
ILE A 334
VAL A 312
 None
 0.85A 3u7sA-5fg3A:
undetectable		 3u7sA-5fg3A:
10.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gy3 GLUCANASE

(Klebsiella
pneumoniae) 		PF01270
(Glyco_hydro_8) 		6 LEU A 324
GLY A 292
ALA A 295
ASP A 298
ILE A 310
VAL A 325
 None
 1.35A 3u7sA-5gy3A:
undetectable		 3u7sA-5gy3A:
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.
5l1b GLUTAMATE RECEPTOR
2,GLUTAMATE RECEPTOR
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 LEU A 363
GLY A 239
ALA A 240
ILE A 209
VAL A 242
 None
 0.81A 3u7sA-5l1bA:
undetectable		 3u7sA-5l1bA:
9.52
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.
5m45 ACETONE CARBOXYLASE
BETA SUBUNIT

(Xanthobacter
autotrophicus) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 ALA B 508
ASP B 509
GLY B 268
ILE B 287
VAL B  76
 None
 0.96A 3u7sA-5m45B:
undetectable		 3u7sA-5m45B:
8.73
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.
5o82 INTRACELLULAR
EXO-ALPHA-(1->5)-L-A
RABINOFURANOSIDASE

(Chaetomium
thermophilum) 		no annotation 5 LEU A 229
GLY A 212
ASP A 175
GLY A 171
VAL A 228
 None
 0.95A 3u7sA-5o82A:
undetectable		 3u7sA-5o82A:
16.16
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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.23A 3u7sA-5t2zA:
19.8		 3u7sA-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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
 0.35A 3u7sA-5t2zA:
19.8		 3u7sA-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.
5vat PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOA

(Haemophilus
influenzae) 		PF04348
(LppC) 		6 LEU A 261
GLY A 520
ALA A 523
ASP A 522
GLY A 359
VAL A 317
 None
 1.31A 3u7sA-5vatA:
undetectable		 3u7sA-5vatA:
10.72
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.
5weo GLUTAMATE RECEPTOR
2,VOLTAGE-DEPENDENT
CALCIUM CHANNEL
GAMMA-2 SUBUNIT
CHIMERA

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF00822
(PMP22_Claudin)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 LEU A 363
GLY A 239
ALA A 240
ILE A 209
VAL A 242
 None
 0.77A 3u7sA-5weoA:
undetectable		 3u7sA-5weoA:
7.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wj7 DNA REPAIR PROTEIN
XRCC4,MYOSIN-7

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU A 126
ALA A  42
GLY A  45
ILE A  34
VAL A 122
 None
 0.87A 3u7sA-5wj7A:
undetectable		 3u7sA-5wj7A:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wlz DNA REPAIR PROTEIN
XRCC4,MYOSIN-7

(Homo sapiens) 		no annotation 5 LEU C 126
ALA C  42
GLY C  45
ILE C  34
VAL C 122
 None
 0.92A 3u7sA-5wlzC:
undetectable		 3u7sA-5wlzC:
19.59
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.
5xgv PYRE3

(Streptomyces
rugosporus) 		no annotation 5 LEU A 155
ALA A 276
ASP A 275
GLY A  14
ILE A   7
 FAD  A 501 ( 4.3A)
None
FAD  A 501 (-3.1A)
None
None
 0.95A 3u7sA-5xgvA:
undetectable		 3u7sA-5xgvA:
20.79
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.
5yt0 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		no annotation 5 GLY A 317
ALA A 316
GLY A 244
ILE A 334
VAL A 312
 None
 0.87A 3u7sA-5yt0A:
undetectable		 3u7sA-5yt0A:
20.72
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.
6e9p -

(-) 		no annotation 5 LEU A 218
ALA A 233
ASP A 234
GLY A 204
VAL A 216
 None
 0.93A 3u7sA-6e9pA:
undetectable		 3u7sA-6e9pA:
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 LEU A  28
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)
 0.17A 3u7sA-6fivA:
15.8		 3u7sA-6fivA:
29.57
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.
6grw -

(-) 		no annotation 5 LEU A 247
GLY A 277
ALA A 276
GLY A 265
ILE A 287
 None
 0.91A 3u7sA-6grwA:
undetectable		 3u7sA-6grwA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 1.42A 3u7sA-6upjA:
18.5		 3u7sA-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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.68A 3u7sA-6upjA:
18.5		 3u7sA-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.
1as4 ANTICHYMOTRYPSIN

(Homo sapiens) 		PF00079
(Serpin) 		5 ALA A 347
ILE A  51
ILE B 373
PRO A  54
LEU A  55
 ACT  B 600 (-3.6A)
None
None
None
None
 1.10A 3u7sB-1as4A:
undetectable		 3u7sB-1as4A:
13.87
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.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		5 ARG A 186
ALA A 193
GLY A 294
ILE A 293
LEU A 286
 None
 1.04A 3u7sB-1dqsA:
undetectable		 3u7sB-1dqsA:
14.25
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.
1f76 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF01180
(DHO_dh) 		5 ALA A  73
ASP A  72
GLY A  78
ILE A 329
LEU A  64
 None
 1.20A 3u7sB-1f76A:
undetectable		 3u7sB-1f76A:
16.35
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  30
ILE A  47
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.61A 3u7sB-1hvcA:
13.4		 3u7sB-1hvcA:
39.90
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  30
ILE A  47
GLY A  49
PRO A  81
 A79  A 800 (-3.6A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
 0.66A 3u7sB-1hvcA:
13.4		 3u7sB-1hvcA:
39.90
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  49
ILE A  50
 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)
 1.26A 3u7sB-1hvcA:
13.4		 3u7sB-1hvcA:
39.90
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 ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
 0.58A 3u7sB-1hvcA:
13.4		 3u7sB-1hvcA:
39.90
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 ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.48A 3u7sB-1hvcA:
13.4		 3u7sB-1hvcA:
39.90
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.
1kya LACCASE

(Trametes
versicolor) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ARG A 280
ALA A 253
GLY A 215
ILE A 213
PRO A 289
 None
None
NAG  A 513 ( 4.2A)
None
None
 1.17A 3u7sB-1kyaA:
undetectable		 3u7sB-1kyaA:
11.27
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.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 ALA A 147
ILE A 200
GLY A 202
ILE A 141
LEU A 161
 None
 1.10A 3u7sB-1lk5A:
undetectable		 3u7sB-1lk5A:
19.21
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.
1og0 PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Saccharomyces
cerevisiae) 		PF00793
(DAHP_synth_1) 		5 ARG A 142
ALA A 108
ILE A  72
GLY A 175
LEU A 171
 None
 1.15A 3u7sB-1og0A:
undetectable		 3u7sB-1og0A:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rjb FL CYTOKINE RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 792
ILE A 921
GLY A 875
ILE A 876
PRO A 911
 None
 1.16A 3u7sB-1rjbA:
undetectable		 3u7sB-1rjbA:
15.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 1.37A 3u7sB-1sivA:
19.2		 3u7sB-1sivA:
47.47
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) 		7 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
 0.49A 3u7sB-1sivA:
19.2		 3u7sB-1sivA:
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 ARG A 141
ASP A  89
ASP A  60
ILE A  56
ILE A  36
 None
 1.07A 3u7sB-1sqjA:
undetectable		 3u7sB-1sqjA:
7.85
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.
1tkl COPROPORPHYRINOGEN
III OXIDASE

(Saccharomyces
cerevisiae) 		PF01218
(Coprogen_oxidas) 		5 ARG A 245
ILE A 211
GLY A 209
ILE A 208
LEU A 169
 None
 1.11A 3u7sB-1tklA:
undetectable		 3u7sB-1tklA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		5 ARG A 250
ALA A 179
GLY A 242
ILE A 243
LEU A 173
 None
 1.16A 3u7sB-1yw6A:
undetectable		 3u7sB-1yw6A:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z34 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Trichomonas
vaginalis) 		PF01048
(PNP_UDP_1) 		5 ALA A 194
ASP A 190
GLY A 197
ILE A  86
LEU A  76
 None
 1.11A 3u7sB-1z34A:
undetectable		 3u7sB-1z34A:
19.18
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.
1z45 GAL10 BIFUNCTIONAL
PROTEIN

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim)
PF16363
(GDP_Man_Dehyd) 		5 ARG A 466
ALA A 389
GLY A 408
ILE A 423
LEU A 416
 None
 1.19A 3u7sB-1z45A:
undetectable		 3u7sB-1z45A:
9.25
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.
2aa4 PUTATIVE
N-ACETYLMANNOSAMINE
KINASE

(Escherichia
coli) 		PF00480
(ROK) 		5 ASP A   7
ALA A  62
ILE A  67
GLY A  65
LEU A  13
 None
 1.25A 3u7sB-2aa4A:
undetectable		 3u7sB-2aa4A:
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.
2akp ATP-DEPENDENT
MOLECULAR CHAPERONE
HSP82

(Saccharomyces
cerevisiae) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ARG A  65
ASP A  79
ALA A  41
ASP A  40
PRO A 204
 None
 1.25A 3u7sB-2akpA:
undetectable		 3u7sB-2akpA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e0w GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Escherichia
coli) 		PF01019
(G_glu_transpept) 		5 ALA A 333
ASP A 336
ILE A 363
ILE A 325
LEU A 304
 None
 1.25A 3u7sB-2e0wA:
undetectable		 3u7sB-2e0wA:
10.29
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ALA A  28
ILE A  53
GLY A  55
PRO A  86
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.57A 3u7sB-2fmbA:
15.4		 3u7sB-2fmbA:
27.88
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.
2hzh LACCASE

(Trametes
ochracea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ARG A 280
ALA A 253
GLY A 215
ILE A 213
PRO A 289
 None
 1.17A 3u7sB-2hzhA:
undetectable		 3u7sB-2hzhA:
11.02
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.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		5 ARG A 246
ALA A 231
GLY A 194
ILE A 193
LEU A 255
 None
None
FAD  A 700 ( 4.0A)
None
None
 1.14A 3u7sB-2i0kA:
undetectable		 3u7sB-2i0kA:
11.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pfm ADENYLOSUCCINATE
LYASE

(Bacillus
anthracis) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 ALA A 321
ILE A   2
GLY A  11
ILE A  13
LEU A 315
 None
 1.02A 3u7sB-2pfmA:
undetectable		 3u7sB-2pfmA:
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.
2qzu PUTATIVE SULFATASE
YIDJ

(Bacteroides
fragilis) 		PF00884
(Sulfatase) 		5 ARG A 292
ALA A  35
ASP A  36
GLY A 131
ILE A 130
 None
 1.10A 3u7sB-2qzuA:
undetectable		 3u7sB-2qzuA:
12.53
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)
 0.48A 3u7sB-2rkfA:
20.5		 3u7sB-2rkfA:
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.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00657
(Lipase_GDSL) 		5 ARG A  16
ALA A 159
ILE A 327
ILE A 219
PRO A 214
 None
 1.15A 3u7sB-2wabA:
undetectable		 3u7sB-2wabA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 ARG A 146
ASP A  94
ALA A  65
ILE A  55
ILE A  35
 None
 1.09A 3u7sB-3a0fA:
undetectable		 3u7sB-3a0fA:
8.53
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.
3a27 UNCHARACTERIZED
PROTEIN MJ1557

(Methanocaldococcus
jannaschii) 		PF02475
(Met_10) 		5 ASP A 102
ALA A 125
ILE A 140
ILE A 107
PRO A 113
 None
 1.15A 3u7sB-3a27A:
undetectable		 3u7sB-3a27A:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aty PROSTAGLANDIN F2A
SYNTHASE

(Trypanosoma
cruzi) 		PF00724
(Oxidored_FMN) 		5 ARG A 226
ALA A 197
GLY A 255
PRO A 264
LEU A 267
 None
 1.22A 3u7sB-3atyA:
undetectable		 3u7sB-3atyA:
13.03
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.
3bch 40S RIBOSOMAL
PROTEIN SA

(Homo sapiens) 		PF00318
(Ribosomal_S2)
PF16122
(40S_SA_C) 		5 ALA A 146
ASP A 130
ILE A  77
ILE A  65
PRO A 143
 None
 1.25A 3u7sB-3bchA:
undetectable		 3u7sB-3bchA:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bcz PROTEIN MEMO1

(Homo sapiens) 		PF01875
(Memo) 		5 ARG A   8
ASP A 102
GLY A  21
PRO A 138
LEU A 137
 None
 0.81A 3u7sB-3bczA:
undetectable		 3u7sB-3bczA:
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.
3clh 3-DEHYDROQUINATE
SYNTHASE

(Helicobacter
pylori) 		PF01761
(DHQ_synthase) 		5 ARG A 166
ALA A 173
GLY A 255
ILE A 254
LEU A 247
 None
 1.01A 3u7sB-3clhA:
undetectable		 3u7sB-3clhA:
16.20
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.
3cx3 LIPOPROTEIN

(Streptococcus
pneumoniae) 		PF01297
(ZnuA) 		5 ASP A 288
GLY A  69
ILE A  70
PRO A 284
LEU A 285
 None
 1.23A 3u7sB-3cx3A:
undetectable		 3u7sB-3cx3A:
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.
3eb2 PUTATIVE
DIHYDRODIPICOLINATE
SYNTHETASE

(Rhodopseudomonas
palustris) 		PF00701
(DHDPS) 		5 ALA A  92
ILE A 131
GLY A  99
PRO A  44
LEU A  45
 None
 1.18A 3u7sB-3eb2A:
undetectable		 3u7sB-3eb2A:
13.79
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.
3h1n PROBABLE GLUTATHIONE
S-TRANSFERASE

(Bordetella
bronchiseptica) 		PF14497
(GST_C_3) 		5 ARG A  45
ALA A  33
ASP A   9
GLY A  37
LEU A  41
 None
 1.15A 3u7sB-3h1nA:
undetectable		 3u7sB-3h1nA:
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'
DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ARG B 751
ALA B 998
ILE A 342
GLY A 440
ILE B 874
 None
 1.14A 3u7sB-3hkzB:
undetectable		 3u7sB-3hkzB:
7.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k6r PUTATIVE TRANSFERASE
PH0793

(Pyrococcus
horikoshii) 		PF02475
(Met_10) 		5 ASP A 131
ALA A 153
ILE A 168
ILE A 136
PRO A 142
 None
 1.23A 3u7sB-3k6rA:
undetectable		 3u7sB-3k6rA:
16.67
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.
3lpe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
E''

(Methanocaldococcus
jannaschii) 		PF06093
(Spt4) 		5 ALA B  42
ASP B  48
ILE B  49
GLY B  51
ILE B  32
 None
 1.26A 3u7sB-3lpeB:
undetectable		 3u7sB-3lpeB:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mnd SUPEROXIDE DISMUTASE
[CU-ZN]

(Taenia solium) 		PF00080
(Sod_Cu) 		5 ASP A 121
ALA A 137
ASP A 119
ILE A 133
LEU A 125
 None
 1.23A 3u7sB-3mndA:
undetectable		 3u7sB-3mndA:
20.89
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
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 1.42A 3u7sB-3mwsA:
20.2		 3u7sB-3mwsA:
69.70
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  30
GLY A  48
PRO A  81
 None
 1.01A 3u7sB-3mwsA:
20.2		 3u7sB-3mwsA:
69.70
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 ARG A   8
ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.60A 3u7sB-3mwsA:
20.2		 3u7sB-3mwsA:
69.70
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.
3oee ATP SYNTHASE SUBUNIT
ALPHA

(Saccharomyces
cerevisiae) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 ALA A 227
ASP A 226
GLY A 107
ILE A 232
LEU A 218
 None
 1.12A 3u7sB-3oeeA:
undetectable		 3u7sB-3oeeA:
11.57
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.
3pxl LACCASE

(Trametes
hirsuta) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ARG A 280
ALA A 253
GLY A 215
ILE A 213
PRO A 289
 None
 1.17A 3u7sB-3pxlA:
undetectable		 3u7sB-3pxlA:
11.92
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 ARG A   8
ASP A  25
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-3.8A)
017  A 201 (-2.6A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.93A 3u7sB-3t3cA:
19.0		 3u7sB-3t3cA:
69.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.65A 3u7sB-3t3cA:
19.0		 3u7sB-3t3cA:
69.70
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.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ASP A 341
ASP A 251
GLY A 390
ILE A 307
LEU A 363
 XMP  A 500 (-2.8A)
None
XMP  A 500 (-3.2A)
XMP  A 500 (-4.6A)
None
 1.21A 3u7sB-3tsdA:
undetectable		 3u7sB-3tsdA:
11.11
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.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 ARG A 556
ALA A 542
ASP A 540
GLY A 503
LEU A 590
 None
None
None
AMP  A 747 ( 4.0A)
None
 1.14A 3u7sB-3ttfA:
undetectable		 3u7sB-3ttfA:
10.41
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
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
LEU A  82
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 ( 4.6A)
 0.38A 3u7sB-3ttpA:
20.6		 3u7sB-3ttpA:
83.84
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.
3uun DYSTROPHIN

(Homo sapiens) 		PF00435
(Spectrin) 		5 ARG A 430
ILE A 407
GLY A 403
ILE A 399
LEU A 426
 None
 1.15A 3u7sB-3uunA:
undetectable		 3u7sB-3uunA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zok 3-DEHYDROQUINATE
SYNTHASE

(Actinidia
chinensis) 		PF01761
(DHQ_synthase) 		5 ARG A 190
ALA A 197
GLY A 264
ILE A 267
LEU A 277
 None
 1.11A 3u7sB-3zokA:
undetectable		 3u7sB-3zokA:
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.
3zxl HIAXHD3

(Humicola
insolens) 		PF04616
(Glyco_hydro_43) 		5 ALA A 218
ASP A 167
GLY A 275
ILE A 276
LEU A 171
 None
B3P  A1560 (-2.9A)
None
None
None
 0.99A 3u7sB-3zxlA:
undetectable		 3u7sB-3zxlA:
11.49
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.
4em8 RIBOSE 5-PHOSPHATE
ISOMERASE B

(Anaplasma
phagocytophilum) 		PF02502
(LacAB_rpiB) 		5 ALA A  12
ILE A  65
GLY A  69
ILE A  70
PRO A  46
 None
 1.27A 3u7sB-4em8A:
undetectable		 3u7sB-4em8A:
19.33
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.
4fix UDP-GALACTOFURANOSYL
TRANSFERASE GLFT2

(Mycobacterium
tuberculosis) 		PF13641
(Glyco_tranf_2_3) 		5 ARG A 378
ALA A 422
GLY A 468
ILE A 472
LEU A 613
 None
 1.14A 3u7sB-4fixA:
undetectable		 3u7sB-4fixA:
10.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fxp ADENYLYL-SULFATE
KINASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01583
(APS_kinase) 		5 ARG A 185
ASP A 187
ALA A 156
ASP A 154
PRO A 238
 None
 1.07A 3u7sB-4fxpA:
undetectable		 3u7sB-4fxpA:
20.81
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.
4ily CHITOSANASE

(Streptomyces
sp. SirexAA-E) 		PF01374
(Glyco_hydro_46) 		5 ARG A 120
ALA A 156
ILE A  87
GLY A  99
ILE A 100
 None
 1.19A 3u7sB-4ilyA:
undetectable		 3u7sB-4ilyA:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4im4 ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase) 		5 ARG A 367
ALA A 102
GLY A 315
PRO A 106
LEU A  70
 None
 1.18A 3u7sB-4im4A:
undetectable		 3u7sB-4im4A:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j34 KYNURENINE
3-MONOOXYGENASE

(Saccharomyces
cerevisiae) 		PF01494
(FAD_binding_3) 		5 ALA A 315
ASP A 314
GLY A  14
ILE A   7
LEU A 133
 None
FAD  A 401 (-3.0A)
None
None
FAD  A 401 (-4.6A)
 1.21A 3u7sB-4j34A:
undetectable		 3u7sB-4j34A:
12.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lur INTERPHOTORECEPTOR
RETINOID-BINDING
PROTEIN(IRBP)

(Danio rerio) 		PF03572
(Peptidase_S41)
PF11918
(Peptidase_S41_N) 		5 ASP A 217
ILE A 265
GLY A 267
ILE A 262
LEU A 186
 None
 1.15A 3u7sB-4lurA:
undetectable		 3u7sB-4lurA:
13.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mbz MAJOR CAPSID PROTEIN
VP1

(African green
monkey
polyomavirus) 		PF00718
(Polyoma_coat) 		5 ALA A 167
GLY A 164
ILE A 180
PRO A 205
LEU A  85
 None
None
CL  A 402 ( 4.4A)
None
None
 1.22A 3u7sB-4mbzA:
undetectable		 3u7sB-4mbzA:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mea PREDICTED PROTEIN

(Acinetobacter
nosocomialis) 		PF00561
(Abhydrolase_1) 		5 ILE A  66
GLY A 141
ILE A 140
PRO A 117
LEU A 116
 None
 1.19A 3u7sB-4meaA:
undetectable		 3u7sB-4meaA:
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) 		6 ARG A   8
ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.51A 3u7sB-4njvA:
20.2		 3u7sB-4njvA:
78.79
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  30
GLY A  48
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
 0.85A 3u7sB-4njvA:
20.2		 3u7sB-4njvA:
78.79
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 ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.67A 3u7sB-4njvA:
20.2		 3u7sB-4njvA:
78.79
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  30
ILE A  47
GLY A  49
ILE A  50
LEU A  23
 RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
 1.08A 3u7sB-4njvA:
20.2		 3u7sB-4njvA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ofx CYSTATHIONINE
BETA-SYNTHASE

(Coxiella
burnetii) 		PF00291
(PALP) 		5 ALA A 272
ILE A 243
GLY A 203
ILE A 185
LEU A 290
 None
 1.22A 3u7sB-4ofxA:
undetectable		 3u7sB-4ofxA:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pot VP1

(Human
polyomavirus 9) 		PF00718
(Polyoma_coat) 		5 ALA A 170
GLY A 167
ILE A 183
PRO A 208
LEU A  88
 None
 1.27A 3u7sB-4potA:
undetectable		 3u7sB-4potA:
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.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		5 ARG A 380
ALA A 368
ILE A 350
GLY A 352
LEU A 374
 None
 0.99A 3u7sB-4q0cA:
undetectable		 3u7sB-4q0cA:
10.48
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.
4rbn SUCROSE
SYNTHASE:GLYCOSYL
TRANSFERASES GROUP 1

(Nitrosomonas
europaea) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 ALA A 462
ILE A 398
GLY A 400
ILE A 423
LEU A 753
 None
 1.19A 3u7sB-4rbnA:
undetectable		 3u7sB-4rbnA:
8.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rt7 RECEPTOR-TYPE
TYROSINE-PROTEIN
KINASE FLT3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 792
ILE A 921
GLY A 875
ILE A 876
PRO A 911
 None
 1.21A 3u7sB-4rt7A:
undetectable		 3u7sB-4rt7A:
14.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twf CYS-LOOP
LIGAND-GATED ION
CHANNEL

(Dickeya
chrysanthemi) 		PF02931
(Neur_chan_LBD) 		5 ALA A 104
ILE A  63
ILE A 101
PRO A  74
LEU A  76
 None
 1.20A 3u7sB-4twfA:
undetectable		 3u7sB-4twfA:
14.33
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.
4u90 GEPHYRIN

(Rattus
norvegicus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 ASP A 422
ALA A 423
ILE A 447
GLY A 383
PRO A 405
 None
None
BU1  A 801 ( 4.3A)
BU1  A 801 ( 3.6A)
None
 1.07A 3u7sB-4u90A:
undetectable		 3u7sB-4u90A:
14.81
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.
4upi SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 ASP A  13
ILE A 231
GLY A 100
ILE A  99
LEU A 305
 ZN  A1576 (-2.1A)
None
None
None
None
 1.18A 3u7sB-4upiA:
undetectable		 3u7sB-4upiA:
10.35
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.
4upl SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 ALA A 172
ILE A 236
ILE A 229
PRO A 138
LEU A 137
 None
 1.27A 3u7sB-4uplA:
undetectable		 3u7sB-4uplA:
10.30
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.
4yeu CYS-LOOP
LIGAND-GATED ION
CHANNEL,PROTON-GATED
ION CHANNEL

(Dickeya
chrysanthemi;
Gloeobacter
violaceus) 		PF02931
(Neur_chan_LBD) 		5 ALA A 104
ILE A  63
ILE A 101
PRO A  74
LEU A  76
 None
 1.16A 3u7sB-4yeuA:
undetectable		 3u7sB-4yeuA:
15.34
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.
5a7m BETA-XYLOSIDASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ASP A 498
ALA A 500
ASP A 530
GLY A 484
ILE A 458
 None
 1.22A 3u7sB-5a7mA:
undetectable		 3u7sB-5a7mA:
8.52
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.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ARG A 147
ALA A  93
ILE A  79
GLY A   7
ILE A   6
 None
 1.14A 3u7sB-5d01A:
undetectable		 3u7sB-5d01A:
13.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d9n B-1,4-ENDOGLUCANASE

(Prevotella
bryantii) 		PF00150
(Cellulase) 		5 ARG A 333
ALA A  68
GLY A 279
PRO A  72
LEU A  26
 None
 1.10A 3u7sB-5d9nA:
undetectable		 3u7sB-5d9nA:
13.06
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.
5eow 6-HYDROXYNICOTINATE
3-MONOOXYGENASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 ALA A 295
ASP A 294
GLY A  16
ILE A   9
LEU A 130
 None
FAD  A 401 (-3.1A)
None
None
FAD  A 401 (-4.6A)
 1.18A 3u7sB-5eowA:
undetectable		 3u7sB-5eowA:
14.25
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.
5hc4 LIPOLYTIC ENZYME

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ALA A 135
GLY A 124
ILE A 127
PRO A  93
LEU A  99
 None
 1.27A 3u7sB-5hc4A:
undetectable		 3u7sB-5hc4A:
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.
5i2g DIOL DEHYDRATASE

(Roseburia
inulinivorans) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ALA A 546
ASP A 532
GLY A 538
PRO A 525
LEU A 524
 None
 1.23A 3u7sB-5i2gA:
undetectable		 3u7sB-5i2gA:
7.22
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.
5iao BIFUNCTIONAL PROTEIN
PYRR

(Mycobacterium
tuberculosis) 		PF00156
(Pribosyltran) 		5 ALA A 161
ASP A 162
ILE A 116
ILE A  55
LEU A 149
 None
 1.25A 3u7sB-5iaoA:
undetectable		 3u7sB-5iaoA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nag KYNURENINE
3-MONOOXYGENASE

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 ALA A 312
ASP A 311
GLY A  19
ILE A  12
LEU A 135
 None
FAD  A 501 (-2.8A)
None
None
FAD  A 501 (-4.8A)
 1.12A 3u7sB-5nagA:
undetectable		 3u7sB-5nagA:
13.72
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.
5szs SPIKE GLYCOPROTEIN

(Human
coronavirus
NL63) 		PF01600
(Corona_S1)
PF01601
(Corona_S2) 		5 ARG A1182
ALA A1143
GLY A1146
ILE A1147
LEU A1162
 None
 1.14A 3u7sB-5szsA:
undetectable		 3u7sB-5szsA:
5.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
ASP A  25
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.46A 3u7sB-5t2zA:
20.0		 3u7sB-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.
5uj8 ORIGIN RECOGNITION
COMPLEX SUBUNIT 3

(Homo sapiens) 		PF07034
(ORC3_N) 		5 ALA A 103
ILE A 218
GLY A 251
ILE A 252
LEU A  69
 None
 1.25A 3u7sB-5uj8A:
undetectable		 3u7sB-5uj8A:
7.44
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.
5ulv MALATE DEHYDROGENASE

(Methylobacterium
extorquens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A  68
ASP A  65
GLY A 106
ILE A 107
LEU A   8
 None
 1.05A 3u7sB-5ulvA:
undetectable		 3u7sB-5ulvA:
16.11
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.
5vat PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOA

(Haemophilus
influenzae) 		PF04348
(LppC) 		5 ARG A 401
ASP A 488
ILE A 489
GLY A 546
ILE A 547
 None
 1.19A 3u7sB-5vatA:
undetectable		 3u7sB-5vatA:
10.72
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.
6b4e NUCLEOPORIN GLE1

(Saccharomyces
cerevisiae) 		no annotation 5 ALA B 479
ASP B 478
GLY B 419
ILE B 421
LEU B 353
 None
 1.19A 3u7sB-6b4eB:
undetectable		 3u7sB-6b4eB:
18.81
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.
6brs PUTATIVE ZINC
PROTEASE

(Pectobacterium
atrosepticum) 		no annotation 5 ALA A 236
ASP A 235
GLY A 229
ILE A 228
PRO A 127
 None
 1.27A 3u7sB-6brsA:
undetectable		 3u7sB-6brsA:
21.65
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.
6c5c 3-DEHYDROQUINATE
SYNTHASE

(Candida
albicans) 		no annotation 5 ARG A 183
ALA A 190
GLY A 267
ILE A 270
LEU A 279
 None
 1.14A 3u7sB-6c5cA:
undetectable		 3u7sB-6c5cA:
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.
6eqi SERINE/THREONINE-PRO
TEIN KINASE PINK1,
PUTATIVE

(Pediculus
humanus) 		no annotation 5 ALA C 475
ASP C 473
GLY C 564
ILE C 568
LEU C 483
 None
 1.22A 3u7sB-6eqiC:
undetectable		 3u7sB-6eqiC:
12.24
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.
6gi2 FERRIC ENTEROBACTIN
ESTERASE

(Pseudomonas
aeruginosa) 		no annotation 5 ARG A 222
ILE A 191
GLY A 189
PRO A 116
LEU A 117
 8SW  A 302 ( 4.1A)
None
None
None
8SW  A 302 (-4.3A)
 1.16A 3u7sB-6gi2A:
undetectable		 3u7sB-6gi2A:
18.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.83A 3u7sB-6upjA:
18.7		 3u7sB-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) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.89A 3u7sB-6upjA:
18.7		 3u7sB-6upjA:
47.47