SIMILAR PATTERNS OF AMINO ACIDS FOR 3U7S_A_017A202_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.
1elj MALTODEXTRIN-BINDING
PROTEIN

(Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		5 GLY A  77
ALA A  76
GLY A  71
ILE A  70
LEU A  50
 None
 1.06A 3u7sB-1eljA:
undetectable		 3u7sB-1eljA:
14.02
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 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)
 0.34A 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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 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)
 0.41A 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.
1iyx ENOLASE

(Enterococcus
hirae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLY A 151
ALA A 155
GLY A 206
ILE A 148
LEU A 197
 None
 1.05A 3u7sB-1iyxA:
undetectable		 3u7sB-1iyxA:
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.
1o9r AGROBACTERIUM
TUMEFACIENS DPS

(Agrobacterium
tumefaciens) 		PF00210
(Ferritin) 		5 GLY A 132
ALA A 131
ILE A 125
LEU A  22
VAL A  18
 None
 0.97A 3u7sB-1o9rA:
undetectable		 3u7sB-1o9rA:
20.78
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
 0.44A 3u7sB-1q9pA:
10.3		 3u7sB-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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
 0.36A 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.
1tp8 AGGLUTININ ALPHA
CHAIN

(Artocarpus
hirsutus) 		PF01419
(Jacalin) 		5 GLY A   7
ALA A   8
GLY A  11
ILE A  12
LEU A 131
 None
 0.92A 3u7sB-1tp8A:
undetectable		 3u7sB-1tp8A:
19.26
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.
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
 0.99A 3u7sB-1w8jA:
undetectable		 3u7sB-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.
1x7f OUTER SURFACE
PROTEIN

(Bacillus cereus) 		PF05913
(DUF871) 		5 GLY A  92
ALA A  93
ASP A  94
ILE A  55
LEU A  38
 None
 0.81A 3u7sB-1x7fA:
undetectable		 3u7sB-1x7fA:
11.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xmp PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Bacillus
anthracis) 		PF00731
(AIRC) 		5 GLY A  66
ALA A  65
ASP A  14
GLY A 117
ILE A 116
 None
 1.05A 3u7sB-1xmpA:
undetectable		 3u7sB-1xmpA:
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		5 GLY A 180
ALA A 179
GLY A 242
ILE A 243
LEU A 173
 None
 0.78A 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.
1z9q NEUTROPHIL CYTOSOL
FACTOR 4

(Homo sapiens) 		PF00018
(SH3_1) 		5 ASP A  28
GLY A  50
ILE A  51
LEU A  54
VAL A  57
 None
 1.05A 3u7sB-1z9qA:
undetectable		 3u7sB-1z9qA:
19.80
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.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 GLY A  69
ALA A  68
GLY A  72
ILE A  49
VAL A 437
 None
 0.95A 3u7sB-1zfjA:
undetectable		 3u7sB-1zfjA:
11.14
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.
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
 0.91A 3u7sB-1zxqA:
undetectable		 3u7sB-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.
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
 0.99A 3u7sB-2dfsA:
undetectable		 3u7sB-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.
2fge ZINC METALLOPROTEASE
(INSULINASE FAMILY)

(Arabidopsis
thaliana) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		6 GLY A 653
ALA A 655
ASP A 657
ILE A 574
LEU A 769
VAL A 772
 None
 1.41A 3u7sB-2fgeA:
undetectable		 3u7sB-2fgeA:
7.45
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  55
 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)
 0.30A 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.
2g04 PROBABLE
FATTY-ACID-COA
RACEMASE FAR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 GLY A  25
ALA A  24
GLY A  19
ILE A  18
VAL A 166
 None
 1.06A 3u7sB-2g04A:
undetectable		 3u7sB-2g04A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l2b STICHOLYSIN-2

(Stichodactyla
helianthus) 		PF06369
(Anemone_cytotox) 		5 GLY A   4
ALA A   3
GLY A  73
LEU A  17
VAL A  20
 None
 0.98A 3u7sB-2l2bA:
undetectable		 3u7sB-2l2bA:
18.24
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.
2p8u HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
CYTOPLASMIC

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 GLY A 158
ALA A 176
GLY A 351
LEU A  76
VAL A  72
 None
 0.96A 3u7sB-2p8uA:
undetectable		 3u7sB-2p8uA:
12.06
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.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 262
ALA A 248
ASP A 250
GLY A 376
VAL A  90
 None
 1.06A 3u7sB-2qo3A:
undetectable		 3u7sB-2qo3A:
8.62
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 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)
 0.31A 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.
2v4j SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA

(Desulfovibrio
vulgaris) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 GLY B 286
GLY B 345
ILE B 344
LEU B 355
VAL B 302
 None
 0.98A 3u7sB-2v4jB:
undetectable		 3u7sB-2v4jB:
14.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vou 2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE

(Paenarthrobacter
nicotinovorans) 		PF00070
(Pyr_redox) 		5 GLY A 319
ALA A 322
ASP A 325
GLY A 150
LEU A  18
 FAD  A1395 (-3.3A)
FAD  A1395 ( 3.9A)
None
FAD  A1395 (-3.3A)
None
 0.92A 3u7sB-2vouA:
undetectable		 3u7sB-2vouA:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wya HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 GLY A 195
ALA A 213
GLY A 388
LEU A 113
VAL A 109
 None
 1.02A 3u7sB-2wyaA:
undetectable		 3u7sB-2wyaA:
11.50
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.
2xsj SULFITE REDUCTASE
BETA SUBUNIT

(Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF12838
(Fer4_7) 		5 GLY B 291
GLY B 350
ILE B 349
LEU B 360
VAL B 307
 None
 1.02A 3u7sB-2xsjB:
undetectable		 3u7sB-2xsjB:
15.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xyd ANGIOTENSIN-CONVERTI
NG ENZYME

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 GLY A 547
ALA A 546
ILE A 391
LEU A 556
VAL A 555
 None
 1.00A 3u7sB-2xydA:
undetectable		 3u7sB-2xydA:
9.26
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.
2y89 PHOSPHORIBOSYL
ISOMERASE A

(Mycobacterium
tuberculosis) 		PF00977
(His_biosynth) 		5 ASP A 171
GLY A 176
ASP A 184
GLY A 136
ILE A 134
 None
 0.98A 3u7sB-2y89A:
undetectable		 3u7sB-2y89A:
19.83
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.
2zii VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 74

(Saccharomyces
cerevisiae) 		PF05719
(GPP34) 		5 GLY A 261
ALA A 262
ILE A 160
LEU A  69
VAL A  73
 None
 0.75A 3u7sB-2ziiA:
undetectable		 3u7sB-2ziiA:
15.30
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.
2zle PROTEASE DO

(Escherichia
coli) 		PF00595
(PDZ)
PF13365
(Trypsin_2) 		5 GLY A 258
ALA A 257
GLY A 221
ILE A 222
VAL A 305
 None
 0.90A 3u7sB-2zleA:
undetectable		 3u7sB-2zleA:
13.53
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 GLY A 119
ALA A 120
GLY A 127
ILE A 177
LEU A 131
 None
 0.88A 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.
3c8t FUMARATE LYASE

(Chelativorans
sp. BNC1) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 GLY A 341
ALA A 343
ASP A  27
GLY A 132
ILE A 129
 None
 1.03A 3u7sB-3c8tA:
undetectable		 3u7sB-3c8tA:
13.68
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.
3d45 POLY(A)-SPECIFIC
RIBONUCLEASE PARN

(Mus musculus) 		PF01424
(R3H)
PF04857
(CAF1)
PF08675
(RNA_bind) 		5 ASP A 285
GLY A  29
ASP A 375
ILE A  34
LEU A 283
 None
None
None
GDP  A 652 ( 4.4A)
GDP  A 652 ( 4.2A)
 1.03A 3u7sB-3d45A:
undetectable		 3u7sB-3d45A:
12.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dmy PROTEIN FDRA

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 GLY A 475
ALA A 474
ILE A 468
LEU A 431
VAL A 432
 None
 0.85A 3u7sB-3dmyA:
undetectable		 3u7sB-3dmyA:
11.46
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.
3gqs ADENYLATE
CYCLASE-LIKE PROTEIN

(Chlamydia
trachomatis) 		PF16697
(Yop-YscD_cpl) 		5 ASP A  64
GLY A  66
GLY A  30
ILE A  28
VAL A  71
 None
 1.06A 3u7sB-3gqsA:
undetectable		 3u7sB-3gqsA:
25.23
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 121
ALA A 122
ASP A 123
ILE A  89
LEU A 103
 None
 0.99A 3u7sB-3gveA:
undetectable		 3u7sB-3gveA:
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.
3gvh MALATE DEHYDROGENASE

(Brucella
abortus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  71
GLY A 106
ILE A 107
LEU A   8
VAL A  31
 None
 1.03A 3u7sB-3gvhA:
undetectable		 3u7sB-3gvhA:
16.45
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.
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
 0.93A 3u7sB-3i5gA:
undetectable		 3u7sB-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.
3ifu NON-STRUCTURAL
PROTEIN

(Porcine
reproductive
and respiratory
syndrome virus) 		PF05410
(Peptidase_C31) 		5 GLY A 109
ALA A 108
ILE A  81
LEU A 116
VAL A 115
 None
 1.00A 3u7sB-3ifuA:
undetectable		 3u7sB-3ifuA:
22.16
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 235
ALA A 236
GLY A 208
ILE A 203
VAL A 239
 None
 0.97A 3u7sB-3ip1A:
undetectable		 3u7sB-3ip1A:
14.14
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  36
ALA A  35
GLY A 118
LEU A  30
VAL A  32
 None
 1.02A 3u7sB-3jv7A:
undetectable		 3u7sB-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.
3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT

(Mycobacterium
tuberculosis) 		PF00731
(AIRC) 		5 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 1.04A 3u7sB-3lp6A:
undetectable		 3u7sB-3lp6A:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m6i L-ARABINITOL
4-DEHYDROGENASE

(Neurospora
crassa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 199
GLY A 171
ILE A 282
LEU A 184
VAL A 183
 None
 1.05A 3u7sB-3m6iA:
undetectable		 3u7sB-3m6iA:
16.88
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.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA

(Archaeoglobus
fulgidus) 		PF00037
(Fer4)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 GLY B 269
GLY B 328
ILE B 327
LEU B 338
VAL B 285
 None
 1.02A 3u7sB-3mm5B:
undetectable		 3u7sB-3mm5B:
13.84
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
 0.90A 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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
 0.49A 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.
3n9t PNPC

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 GLY A 146
ALA A 147
GLY A 227
LEU A 137
VAL A 136
 None
 0.94A 3u7sB-3n9tA:
undetectable		 3u7sB-3n9tA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzg PUTATIVE RACEMASE

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 109
ALA A  48
ASP A  49
GLY A 103
LEU A  56
 None
 1.05A 3u7sB-3nzgA:
undetectable		 3u7sB-3nzgA:
14.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 3u7sB-3oecA:
undetectable		 3u7sB-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.
3opq PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE,CATALYTI
C SUBUNIT

(Francisella
tularensis) 		PF00731
(AIRC) 		5 GLY A  66
ALA A  65
ASP A  14
GLY A 117
ILE A 116
 PO4  A 164 (-3.7A)
PO4  A 164 (-3.3A)
PO4  A 164 (-2.8A)
FMT  A 166 (-3.3A)
None
 1.05A 3u7sB-3opqA:
undetectable		 3u7sB-3opqA:
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.
3or2 SULFITE REDCUTASE
SUBUNIT BETA

(Desulfovibrio
gigas) 		PF00037
(Fer4)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 GLY B 286
GLY B 345
ILE B 344
LEU B 355
VAL B 302
 None
 0.92A 3u7sB-3or2B:
undetectable		 3u7sB-3or2B:
16.91
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.
3p8s JACALIN

(Artocarpus
heterophyllus) 		PF01419
(Jacalin) 		5 GLY A  31
ALA A  32
GLY A  35
ILE A  36
LEU A 155
 None
 0.97A 3u7sB-3p8sA:
undetectable		 3u7sB-3p8sA:
25.49
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.
3pxx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 GLY A 127
ASP A  75
GLY A  13
LEU A  86
VAL A  82
 None
NAD  A 284 (-3.7A)
NAD  A 284 (-3.4A)
None
None
 0.89A 3u7sB-3pxxA:
undetectable		 3u7sB-3pxxA:
16.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
VAL A  84
 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
 0.46A 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.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
LEU A  82
 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)
017  A 201 ( 4.6A)
 0.31A 3u7sB-3ttpA:
20.6		 3u7sB-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) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  84
 None
 0.28A 3u7sB-3uhlA:
17.0		 3u7sB-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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ASP A2201
GLY A2193
ILE A2192
LEU A2156
VAL A2155
 None
 1.04A 3u7sB-3vkgA:
undetectable		 3u7sB-3vkgA:
2.57
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.
3wjs NADH OXIDASE

(Gluconobacter
oxydans) 		PF00724
(Oxidored_FMN) 		5 ALA A 218
ASP A 219
GLY A 222
ILE A 171
LEU A 249
 None
 0.90A 3u7sB-3wjsA:
undetectable		 3u7sB-3wjsA:
13.80
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.
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.
4arr TOLL RECEPTOR,
VARIABLE LYMPHOCYTE
RECEPTOR B.61
CHIMERA

(Drosophila
melanogaster;
Eptatretus
burgeri) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 GLY A  97
ASP A  73
GLY A  30
LEU A  67
VAL A  75
 None
 0.96A 3u7sB-4arrA:
undetectable		 3u7sB-4arrA:
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.
4bgu MALATE DEHYDROGENASE

(Haloferax
volcanii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  18
ALA A  17
GLY A   8
ILE A   7
VAL A 230
 None
 1.05A 3u7sB-4bguA:
undetectable		 3u7sB-4bguA:
16.78
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.
4bv4 PROTEIN TOLL,
VARIABLE LYMPHOCYTE
RECEPTOR B CHIMERA

(Drosophila
melanogaster;
Eptatretus
burgeri) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 GLY R  97
ASP R  73
GLY R  30
LEU R  67
VAL R  75
 None
 1.00A 3u7sB-4bv4R:
undetectable		 3u7sB-4bv4R:
14.76
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.
4dg5 PHOSPHOGLYCERATE
KINASE

(Staphylococcus
aureus) 		PF00162
(PGK) 		5 GLY A 199
ASP A 205
GLY A 352
ILE A 350
VAL A 209
 None
 1.02A 3u7sB-4dg5A:
undetectable		 3u7sB-4dg5A:
14.52
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.
4dve BIOTIN TRANSPORTER
BIOY

(Lactococcus
lactis) 		PF02632
(BioY) 		5 GLY A  49
ALA A  48
GLY A 129
LEU A  97
VAL A  61
 None
 0.69A 3u7sB-4dveA:
undetectable		 3u7sB-4dveA:
20.30
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.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 GLY A  20
ALA A  68
ASP A  67
ASP A 384
LEU A 380
 None
 0.96A 3u7sB-4dzhA:
undetectable		 3u7sB-4dzhA:
13.02
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.
4grd PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT

(Burkholderia
cenocepacia) 		PF00731
(AIRC) 		5 GLY A  77
ALA A  76
ASP A  25
GLY A 128
ILE A 127
 None
 1.05A 3u7sB-4grdA:
undetectable		 3u7sB-4grdA:
21.15
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.
4jig DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 GLY A 120
ALA A 121
GLY A  94
ILE A  95
VAL A 169
 None
None
None
GOL  A 303 (-4.8A)
None
 0.96A 3u7sB-4jigA:
undetectable		 3u7sB-4jigA:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kav YHBX/YHJW/YIJP/YJDB
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00884
(Sulfatase) 		5 GLY A 520
ASP A 372
GLY A 493
ILE A 495
VAL A 234
 None
 1.00A 3u7sB-4kavA:
undetectable		 3u7sB-4kavA:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kq9 RIBOSE ABC
TRANSPORTER,
SUBSTRATE BINDING
PROTEIN

(Conexibacter
woesei) 		PF13407
(Peripla_BP_4) 		5 GLY A 124
ALA A 125
ASP A 128
ILE A  94
VAL A 132
 None
 1.02A 3u7sB-4kq9A:
undetectable		 3u7sB-4kq9A:
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.
4l52 MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 7,
TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1 CHIMERA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ASP A 175
GLY A  45
ALA A  46
GLY A 191
LEU A 157
 1UL  A 501 (-4.2A)
1UL  A 501 ( 3.7A)
None
None
None
 1.02A 3u7sB-4l52A:
undetectable		 3u7sB-4l52A:
15.13
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.
4ma5 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Francisella
tularensis) 		PF02222
(ATP-grasp) 		5 GLY A 242
ALA A 190
ILE A 187
LEU A 234
VAL A 235
 None
 0.86A 3u7sB-4ma5A:
undetectable		 3u7sB-4ma5A:
13.42
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)
 0.88A 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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 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 (-3.4A)
RIT  A 500 (-4.3A)
 0.50A 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.
4oaq R-SPECIFIC CARBONYL
REDUCTASE

(Candida
parapsilosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 209
ALA A 210
GLY A 181
ILE A 177
LEU A 254
VAL A 189
 None
 1.23A 3u7sB-4oaqA:
undetectable		 3u7sB-4oaqA:
13.54
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.
4obu PYRIDOXAL-DEPENDENT
DECARBOXYLASE DOMAIN
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 5 ALA E 169
ASP E 172
GLY E 352
LEU E 318
VAL E 319
 None
 1.06A 3u7sB-4obuE:
undetectable		 3u7sB-4obuE:
13.51
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.
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
 0.95A 3u7sB-4rlbA:
undetectable		 3u7sB-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.
4ry8 PERIPLASMIC BINDING
PROTEIN

(Pseudothermotoga
lettingae) 		PF13407
(Peripla_BP_4) 		5 GLY A 230
ALA A 231
GLY A 193
LEU A 221
VAL A 220
 None
 1.03A 3u7sB-4ry8A:
undetectable		 3u7sB-4ry8A:
15.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tu3 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 74

(Saccharomyces
cerevisiae) 		PF05719
(GPP34) 		5 GLY A 261
ALA A 262
ILE A 160
LEU A  69
VAL A  73
 None
 0.97A 3u7sB-4tu3A:
undetectable		 3u7sB-4tu3A:
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.
4whm UDP-GLUCOSE:ANTHOCYA
NIDIN
3-O-GLUCOSYLTRANSFER
ASE

(Clitoria
ternatea) 		PF00201
(UDPGT) 		6 GLY A 430
ALA A 432
ASP A 435
ILE A 421
LEU A 239
VAL A 237
 None
 1.45A 3u7sB-4whmA:
undetectable		 3u7sB-4whmA:
13.14
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.
4wv3 ANTHRANILATE-COA
LIGASE

(Stigmatella
aurantiaca) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 235
ALA A 236
ASP A 210
ILE A 229
LEU A  29
 None
 0.98A 3u7sB-4wv3A:
undetectable		 3u7sB-4wv3A:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
 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)
 0.23A 3u7sB-4ydfA:
13.5		 3u7sB-4ydfA:
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.
5dji 3'-PHOSPHOADENOSINE
5'-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00459
(Inositol_P) 		5 ASP A 212
ASP A  91
GLY A 185
ILE A 184
VAL A 129
 MG  A 302 ( 2.7A)
MG  A 301 (-2.5A)
AMP  A 303 (-3.6A)
None
None
 1.06A 3u7sB-5djiA:
undetectable		 3u7sB-5djiA:
13.85
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.
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
 0.87A 3u7sB-5fg3A:
undetectable		 3u7sB-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.
5fgn LIPOOLIGOSACCHARIDE
PHOSPHOETHANOLAMINE
TRANSFERASE A

(Neisseria
meningitidis) 		PF00884
(Sulfatase)
PF08019
(DUF1705) 		5 GLY A 520
ASP A 372
GLY A 493
ILE A 495
VAL A 234
 None
 0.97A 3u7sB-5fgnA:
undetectable		 3u7sB-5fgnA:
11.18
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.
5mg5 HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Pseudomonas
protegens) 		no annotation 6 GLY A 162
ALA A 275
ASP A 274
GLY A 283
ILE A 285
VAL A 272
 None
 1.21A 3u7sB-5mg5A:
undetectable		 3u7sB-5mg5A:
21.57
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
 0.14A 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.
5tp4 AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Burkholderia
ambifaria) 		PF01546
(Peptidase_M20) 		5 GLY A  54
ALA A  53
ASP A  52
LEU A 121
VAL A 107
 None
 0.98A 3u7sB-5tp4A:
undetectable		 3u7sB-5tp4A:
12.86
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.
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.
5ulv MALATE DEHYDROGENASE

(Methylobacterium
extorquens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  71
GLY A 106
ILE A 107
LEU A   8
VAL A  31
 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) 		6 GLY A 520
ALA A 523
ASP A 522
GLY A 359
LEU A 262
VAL A 317
 None
 1.40A 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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 GLY A 168
ALA A 171
ASP A 173
GLY A 238
ILE A 240
 None
 1.05A 3u7sB-5x1nA:
undetectable		 3u7sB-5x1nA:
11.76
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 ASP A  49
GLY A 103
ALA A 104
LEU A  70
VAL A  69
 None
 1.02A 3u7sB-5x7sA:
undetectable		 3u7sB-5x7sA:
5.34
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.
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
 0.88A 3u7sB-5yt0A:
undetectable		 3u7sB-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.
5zji PHOTOSYSTEM I
REACTION CENTER
SUBUNIT XI

(Zea mays) 		no annotation 5 GLY L 130
ALA L 131
GLY L 124
LEU L 195
VAL L 194
 BCR  L 301 ( 4.0A)
None
None
None
None
 1.02A 3u7sB-5zjiL:
undetectable		 3u7sB-5zjiL:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zya SPLICING FACTOR 3B
SUBUNIT 1

(Homo sapiens) 		no annotation 5 GLY C 605
ALA C 604
ASP C 564
LEU C 575
VAL C 571
 None
 0.98A 3u7sB-5zyaC:
undetectable		 3u7sB-5zyaC:
18.02
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 5 GLY A 643
ALA A 640
ASP A 641
GLY A 898
LEU A 684
 None
 0.99A 3u7sB-6etzA:
undetectable		 3u7sB-6etzA:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 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)
 0.24A 3u7sB-6fivA:
16.1		 3u7sB-6fivA:
29.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 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)
 0.76A 3u7sB-6upjA:
18.7		 3u7sB-6upjA:
47.47