SIMILAR PATTERNS OF AMINO ACIDS FOR 4Q5M_A_ROCA1101

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.
1agx GLUTAMINASE-ASPARAGI
NASE

(Acinetobacter
glutaminasificans) 		PF00710
(Asparaginase) 		5 GLY A  51
ILE A  13
ILE A  88
VAL A  74
ILE A 112
 None
 0.88A 4q5mA-1agxA:
undetectable		 4q5mA-1agxA:
19.03
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.
1guz MALATE DEHYDROGENASE

(Chlorobaculum
tepidum;
Prosthecochloris
vibrioformis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 141
ILE A  74
THR A 102
ILE A   3
THR A  15
 None
 1.03A 4q5mA-1guzA:
undetectable		 4q5mA-1guzA:
23.38
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) 		11 GLY A  27
ASP A  29
ILE A  47
ILE A  50
THR A  80
PRO A  81
VAL A  82
ARG A   8
VAL A  32
ILE A  47
THR A  80
 A79  A 800 (-3.0A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.4A)
A79  A 800 ( 4.0A)
None
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
None
 0.53A 4q5mA-1hvcA:
33.5		 4q5mA-1hvcA:
95.57
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) 		11 GLY A  27
ASP A  29
ILE A  47
ILE A  50
THR A  80
PRO A  81
VAL A  82
ARG A   8
VAL A  32
ILE A  47
THR A  80
 A79  A 800 (-3.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.8A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
None
 0.62A 4q5mA-1hvcA:
33.5		 4q5mA-1hvcA:
95.57
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.
1l1j HEAT SHOCK PROTEASE
HTRA

(Thermotoga
maritima) 		PF13365
(Trypsin_2) 		5 GLY A 207
ASP A 127
ILE A 131
VAL A 107
ILE A 133
 None
 0.98A 4q5mA-1l1jA:
undetectable		 4q5mA-1l1jA:
24.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mpo MALTOPORIN

(Escherichia
coli) 		PF02264
(LamB) 		5 GLY A 190
ASP A 173
THR A 236
ARG A 175
ILE A 272
 None
 0.98A 4q5mA-1mpoA:
undetectable		 4q5mA-1mpoA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1muu GDP-MANNOSE
6-DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A  12
ILE A  27
ILE A  82
VAL A  31
ILE A  99
 None
None
None
NAD  A1001 (-4.4A)
None
 1.01A 4q5mA-1muuA:
undetectable		 4q5mA-1muuA:
20.46
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.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE ALPHA
SUBUNIT

(Klebsiella
pneumoniae) 		PF08841
(DDR) 		5 GLY A 170
ASP A 168
ILE A 164
VAL A 201
ILE A 134
 None
 0.90A 4q5mA-1nbwA:
undetectable		 4q5mA-1nbwA:
18.20
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.
1o4z BETA-AGARASE B

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		6 GLY A 248
ILE A  63
ILE A 347
VAL A 342
VAL A 153
ILE A  80
 None
 1.49A 4q5mA-1o4zA:
undetectable		 4q5mA-1o4zA:
19.76
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.
1q9j POLYKETIDE SYNTHASE
ASSOCIATED PROTEIN 5

(Mycobacterium
tuberculosis) 		PF00668
(Condensation)
PF16911
(PapA_C) 		5 GLY A 114
ILE A  28
THR A 355
PRO A 356
ARG A 112
 None
 1.02A 4q5mA-1q9jA:
undetectable		 4q5mA-1q9jA:
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.
1qso HPA2 HISTONE
ACETYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF00583
(Acetyltransf_1) 		5 ASP A  18
ILE A  73
ARG A  12
VAL A 112
ILE A  90
 None
 1.01A 4q5mA-1qsoA:
undetectable		 4q5mA-1qsoA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 GLY A  27
ASP A  29
ILE A  50
THR A  80
PRO A  81
 None
 0.37A 4q5mA-1sivA:
15.6		 4q5mA-1sivA:
28.08
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.
1wdw TRYPTOPHAN SYNTHASE
ALPHA CHAIN
TRYPTOPHAN SYNTHASE
BETA CHAIN 1

(Pyrococcus
furiosus) 		PF00290
(Trp_syntA)
PF00291
(PALP) 		5 GLY B 276
ILE B 289
VAL B 271
VAL A 114
ILE A  92
 None
 0.92A 4q5mA-1wdwB:
undetectable		 4q5mA-1wdwB:
22.25
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 GLY A 860
ASN A 353
ILE A 800
VAL A 798
ILE A 822
 None
 1.04A 4q5mA-1xc6A:
undetectable		 4q5mA-1xc6A:
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.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 GLY A 217
ILE A 237
PRO A 285
ILE A 226
THR A 206
 None
 1.04A 4q5mA-1xhbA:
undetectable		 4q5mA-1xhbA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yzf LIPASE/ACYLHYDROLASE

(Enterococcus
faecalis) 		PF13472
(Lipase_GDSL_2) 		5 ASP A  79
ILE A 128
ILE A 110
VAL A  72
ILE A 182
 None
 1.01A 4q5mA-1yzfA:
undetectable		 4q5mA-1yzfA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zpu IRON TRANSPORT
MULTICOPPER OXIDASE
FET3

(Saccharomyces
cerevisiae) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ASP A 146
ILE A 142
THR A 240
VAL A 234
THR A  58
 None
NAG  A2002 ( 4.8A)
None
None
MAN  A3008 ( 4.5A)
 0.87A 4q5mA-1zpuA:
undetectable		 4q5mA-1zpuA:
15.76
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.
1zuw GLUTAMATE RACEMASE 1

(Bacillus
subtilis) 		PF01177
(Asp_Glu_race) 		5 ASP A 163
ILE A 165
ARG A 197
VAL A 203
ILE A 178
 None
 0.94A 4q5mA-1zuwA:
undetectable		 4q5mA-1zuwA:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a4a DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Plasmodium
yoelii) 		PF01791
(DeoC) 		5 GLY A  82
ILE A 144
VAL A 162
ILE A 170
THR A 158
 None
 1.01A 4q5mA-2a4aA:
undetectable		 4q5mA-2a4aA:
20.83
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.
2acv TRITERPENE
UDP-GLUCOSYL
TRANSFERASE UGT71G1

(Medicago
truncatula) 		PF00201
(UDPGT) 		5 GLY A 178
ASN A 181
PRO A 189
VAL A 217
THR A 219
 None
 1.03A 4q5mA-2acvA:
undetectable		 4q5mA-2acvA:
22.56
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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT

(Chlamydia
trachomatis) 		PF00268
(Ribonuc_red_sm) 		5 GLY A 279
ASP A  73
VAL A 202
ARG A 278
ILE A 269
 None
 0.90A 4q5mA-2aniA:
undetectable		 4q5mA-2aniA:
22.48
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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT

(Chlamydia
trachomatis) 		PF00268
(Ribonuc_red_sm) 		5 GLY A 279
ASP A  73
VAL A 202
ARG A 278
ILE A 289
 None
 0.92A 4q5mA-2aniA:
undetectable		 4q5mA-2aniA:
22.48
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT
NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B) 		5 GLY B 643
ILE B 670
VAL B 567
ILE A 364
THR B 672
 None
 1.00A 4q5mA-2b24B:
undetectable		 4q5mA-2b24B:
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.
2b6n PROTEINASE K

(Serratia sp.
GF96) 		PF00082
(Peptidase_S8) 		5 GLY A 181
ILE A  13
THR A  76
VAL A  73
THR A 249
 None
 1.00A 4q5mA-2b6nA:
undetectable		 4q5mA-2b6nA:
24.56
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.
2e28 PYRUVATE KINASE

(Geobacillus
stearothermophilus) 		PF00224
(PK)
PF00391
(PEP-utilizers)
PF02887
(PK_C) 		5 GLY A 536
ILE A 531
THR A 561
VAL A 545
ILE A 525
 None
 0.88A 4q5mA-2e28A:
undetectable		 4q5mA-2e28A:
18.35
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 GLY A  27
ASP A  29
ILE A  53
PRO A  86
VAL A  87
 LP1  A 201 (-3.8A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
 0.62A 4q5mA-2fmbA:
12.7		 4q5mA-2fmbA:
24.14
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.
2gz6 N-ACETYL-D-GLUCOSAMI
NE 2-EPIMERASE

(Anabaena sp.
CH1) 		PF07221
(GlcNAc_2-epim) 		6 GLY A 316
ILE A 270
ILE A 247
ARG A 322
ILE A 250
THR A 259
 None
 1.40A 4q5mA-2gz6A:
undetectable		 4q5mA-2gz6A:
19.70
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.
2iyo 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Lactococcus
lactis) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 GLY A 180
ASN A 102
ILE A  98
THR A  80
ILE A  96
 None
6PG  A1471 (-2.9A)
None
None
None
 1.03A 4q5mA-2iyoA:
undetectable		 4q5mA-2iyoA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2k3y CHROMATIN
MODIFICATION-RELATED
PROTEIN EAF3

(Saccharomyces
cerevisiae) 		PF11717
(Tudor-knot) 		5 GLY A  83
ILE A  79
PRO A  46
VAL A  14
ILE A  27
 None
 1.01A 4q5mA-2k3yA:
undetectable		 4q5mA-2k3yA:
18.84
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA

(-) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASN A 293
ILE A 262
VAL A 247
VAL A 315
ILE A 274
 None
 1.01A 4q5mA-2qgyA:
undetectable		 4q5mA-2qgyA:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA

(-) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 294
ASN A 265
ILE A 286
VAL A 247
ILE A 283
 None
 1.02A 4q5mA-2qgyA:
undetectable		 4q5mA-2qgyA:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r1d NEUREXIN-1-BETA

(Rattus
norvegicus) 		PF02210
(Laminin_G_2) 		5 GLY A  70
ILE A 169
VAL A 104
VAL A 192
ILE A 167
 None
 0.95A 4q5mA-2r1dA:
undetectable		 4q5mA-2r1dA:
23.13
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.
2raq CONSERVED PROTEIN
MTH889

(Methanothermobacter
thermautotrophicus) 		PF02680
(DUF211) 		5 ASP A  59
ASN A  58
ILE A   7
VAL A  37
ILE A  76
 None
 0.99A 4q5mA-2raqA:
undetectable		 4q5mA-2raqA:
18.72
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) 		5 GLY A  27
ASP A  29
ILE A  50
THR A  80
PRO A  81
 AB1  A 501 (-3.9A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
None
AB1  A 501 (-4.2A)
 0.40A 4q5mA-2rkfA:
18.1		 4q5mA-2rkfA:
42.36
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.
2w8z 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Geobacillus
stearothermophilus) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 GLY A 178
ASN A 102
ILE A  98
THR A  80
ILE A  96
 None
6PG  A1470 (-3.1A)
None
None
None
 1.01A 4q5mA-2w8zA:
undetectable		 4q5mA-2w8zA:
17.70
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.
2xb6 NEUREXIN-1-BETA

(Rattus
norvegicus) 		PF02210
(Laminin_G_2) 		5 GLY C 116
ILE C 245
VAL C 150
VAL C 268
ILE C 243
 EDO  C1295 ( 4.6A)
None
None
None
None
 1.01A 4q5mA-2xb6C:
undetectable		 4q5mA-2xb6C:
24.31
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.
2xdr BETAINE ALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		5 ASP A 399
ILE A 395
VAL A 420
ARG A 296
THR A 375
 None
 0.92A 4q5mA-2xdrA:
undetectable		 4q5mA-2xdrA:
19.15
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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 ILE A 104
ILE A 148
PRO A  98
VAL A 274
THR A 144
 None
 1.00A 4q5mA-2xr1A:
undetectable		 4q5mA-2xr1A:
17.59
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.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Peptoniphilus
asaccharolyticus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ILE A 339
PRO A 298
VAL A 297
VAL A 403
ILE A 345
 None
 1.03A 4q5mA-2yfqA:
undetectable		 4q5mA-2yfqA:
19.82
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.
2zyg 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Klebsiella
pneumoniae) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 GLY A 179
ASN A 102
ILE A  98
THR A  80
ILE A  96
 None
 0.96A 4q5mA-2zygA:
undetectable		 4q5mA-2zygA:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3asi NEUREXIN-1-ALPHA

(Bos taurus) 		PF02210
(Laminin_G_2) 		5 GLY A1118
ILE A1217
VAL A1152
VAL A1240
ILE A1215
 None
 0.97A 4q5mA-3asiA:
undetectable		 4q5mA-3asiA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cgy VIRULENCE SENSOR
HISTIDINE KINASE
PHOQ

(Salmonella
enterica) 		PF02518
(HATPase_c) 		5 GLY A 385
ILE A 412
VAL A 399
VAL A 341
ILE A 367
 None
 1.04A 4q5mA-3cgyA:
undetectable		 4q5mA-3cgyA:
21.29
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.
3clq UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF06545
(DUF1116) 		5 GLY A 317
ASP A 356
ILE A 440
ARG A 315
VAL A 161
 None
 1.00A 4q5mA-3clqA:
undetectable		 4q5mA-3clqA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fdu PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Acinetobacter
baumannii) 		PF00378
(ECH_1) 		5 GLY A 114
ASN A  33
ILE A  26
VAL A 121
VAL A 191
 None
 0.94A 4q5mA-3fduA:
undetectable		 4q5mA-3fduA:
22.06
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.
3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Brucella
melitensis) 		PF00793
(DAHP_synth_1) 		5 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.88A 4q5mA-3fs2A:
undetectable		 4q5mA-3fs2A:
23.33
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.
3gyb TRANSCRIPTIONAL
REGULATORS
(LACI-FAMILY
TRANSCRIPTIONAL
REGULATORY PROTEIN)

(Corynebacterium
glutamicum) 		PF13377
(Peripla_BP_3) 		5 GLY A 144
ASN A 288
ILE A  82
PRO A 273
VAL A  68
 None
 1.01A 4q5mA-3gybA:
undetectable		 4q5mA-3gybA:
21.23
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		5 ILE W 842
PRO W 741
VAL W 740
VAL W 852
ILE W 846
 None
 0.87A 4q5mA-3iylW:
undetectable		 4q5mA-3iylW:
10.43
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.
3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00478
(IMPDH) 		5 GLY A 190
ILE A 235
VAL A 159
ILE A  68
THR A  36
 None
 0.97A 4q5mA-3khjA:
undetectable		 4q5mA-3khjA:
20.44
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.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  96
ILE A  92
ARG A  95
ILE A  56
THR A  89
 None
 1.04A 4q5mA-3mqtA:
undetectable		 4q5mA-3mqtA:
22.25
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.
3mw2 NEUREXIN-1-ALPHA

(Mus musculus) 		PF02210
(Laminin_G_2) 		5 GLY A 116
ILE A 245
VAL A 150
VAL A 268
ILE A 243
 None
 0.88A 4q5mA-3mw2A:
undetectable		 4q5mA-3mw2A:
22.65
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.
3mw3 NEUREXIN-2-BETA

(Rattus
norvegicus) 		PF02210
(Laminin_G_2) 		5 GLY A 118
ILE A 247
VAL A 152
VAL A 270
ILE A 245
 None
 1.00A 4q5mA-3mw3A:
undetectable		 4q5mA-3mw3A:
20.78
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.
3mw4 NEUREXIN-2-BETA

(Mus musculus) 		PF02210
(Laminin_G_2) 		5 GLY A 114
ILE A 213
VAL A 148
VAL A 236
ILE A 211
 None
 1.00A 4q5mA-3mw4A:
undetectable		 4q5mA-3mw4A:
23.85
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 GLY A  27
ASP A  29
ILE A  47
ILE A  50
THR A  80
PRO A  81
VAL A  82
 None
 0.51A 4q5mA-3mwsA:
16.8		 4q5mA-3mwsA:
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.
3nfb BETA-PEPTIDYL
AMINOPEPTIDASE

(Sphingosinicella
xenopeptidilytica) 		PF03576
(Peptidase_S58) 		5 GLY A 158
ILE A  55
VAL A 169
VAL A  27
ILE A  21
 None
 0.84A 4q5mA-3nfbA:
undetectable		 4q5mA-3nfbA:
19.30
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.
3noy 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Aquifex
aeolicus) 		PF04551
(GcpE) 		5 GLY A  96
ILE A  79
THR A  33
VAL A  12
ILE A  53
 None
 0.94A 4q5mA-3noyA:
undetectable		 4q5mA-3noyA:
20.71
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.
3nvn PLEXIN-C1

(Homo sapiens) 		PF01437
(PSI) 		5 GLY B  56
ILE B  49
THR B 125
VAL B 447
ILE B  46
 None
 0.84A 4q5mA-3nvnB:
undetectable		 4q5mA-3nvnB:
18.75
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.
3ohn OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher) 		5 ASP A 274
ILE A 303
THR A 314
VAL A 315
VAL A 280
 None
 1.00A 4q5mA-3ohnA:
undetectable		 4q5mA-3ohnA:
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.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		5 GLY A  17
ILE A 136
VAL A  11
VAL A  51
ILE A  93
 None
 0.81A 4q5mA-3ox4A:
undetectable		 4q5mA-3ox4A:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3poy NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		5 GLY A1178
ILE A1307
VAL A1212
VAL A1330
ILE A1305
 None
 0.86A 4q5mA-3poyA:
undetectable		 4q5mA-3poyA:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qcw NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		5 GLY A1162
ILE A1291
VAL A1196
VAL A1314
ILE A1289
 None
 0.97A 4q5mA-3qcwA:
undetectable		 4q5mA-3qcwA:
11.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qo6 PROTEASE DO-LIKE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 237
ILE A 300
ILE A 296
THR A 273
VAL A 169
 None
 1.04A 4q5mA-3qo6A:
undetectable		 4q5mA-3qo6A:
22.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ASP A  29
ILE A  47
ILE A  50
THR A  80
 017  A 201 (-3.4A)
017  A 201 (-3.5A)
None
017  A 201 (-3.3A)
None
 0.64A 4q5mA-3t3cA:
15.9		 4q5mA-3t3cA:
37.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ASP A  29
ILE A  50
THR A  80
PRO A  81
 017  A 201 (-3.6A)
017  A 201 (-3.3A)
017  A 201 (-3.3A)
None
017  A 201 (-4.1A)
 0.53A 4q5mA-3ttpA:
16.7		 4q5mA-3ttpA:
39.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ASP A  29
ILE A  50
THR A  80
PRO A  81
 017  A 201 ( 3.5A)
017  A 201 (-3.2A)
017  A 201 ( 3.5A)
None
017  A 202 (-4.0A)
 0.55A 4q5mA-3u7sA:
17.0		 4q5mA-3u7sA:
38.42
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 GLY A  27
ASP A  29
ASN A  30
THR A  80
PRO A  81
VAL A  82
 None
 0.58A 4q5mA-3uhlA:
13.8		 4q5mA-3uhlA:
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.
3uve CARVEOL
DEHYDROGENASE
((+)-TRANS-CARVEOL
DEHYDROGENASE)

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		6 GLY A 111
ILE A  39
VAL A 136
VAL A 207
ILE A 253
THR A 209
 None
NAD  A 300 (-3.8A)
None
NAD  A 300 (-4.1A)
None
NAD  A 300 (-2.7A)
 1.10A 4q5mA-3uveA:
undetectable		 4q5mA-3uveA:
21.22
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.
4atf BETA-AGARASE B

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		6 GLY A 248
ILE A  63
ILE A 347
VAL A 342
VAL A 153
ILE A  80
 None
 1.50A 4q5mA-4atfA:
undetectable		 4q5mA-4atfA:
20.25
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.
4e09 PLASMID PARTITIONING
PROTEIN PARF

(Escherichia
coli) 		PF01656
(CbiA) 		5 GLY A  14
ASN A  21
ILE A 194
ILE A 137
ILE A 154
 ACP  A 301 (-3.2A)
None
None
None
None
 0.92A 4q5mA-4e09A:
undetectable		 4q5mA-4e09A:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ehc PE-PGRS FAMILY
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 6 GLY A 249
ILE A 216
VAL A 172
VAL A 210
ILE A 176
THR A 232
 None
None
None
EDO  A 326 (-4.9A)
None
None
 1.37A 4q5mA-4ehcA:
11.2		 4q5mA-4ehcA:
22.67
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.
4gz8 SEMAPHORIN-3A

(Mus musculus) 		PF01403
(Sema) 		6 GLY A 337
ASN A 428
ILE A 451
THR A 488
VAL A 340
ILE A 434
 None
 1.32A 4q5mA-4gz8A:
undetectable		 4q5mA-4gz8A:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h7n ALDEHYDE
DEHYDROGENASE

(Trichormus
variabilis) 		PF00171
(Aldedh) 		5 GLY A 190
ASN A 195
ILE A  19
VAL A 156
VAL A   7
 None
 1.03A 4q5mA-4h7nA:
undetectable		 4q5mA-4h7nA:
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1

(Mycolicibacterium
thermoresistibile) 		PF00082
(Peptidase_S8) 		5 GLY A 195
ILE A 188
THR A  39
VAL A 233
ILE A 201
 None
None
IMD  A 509 ( 3.8A)
None
None
 0.96A 4q5mA-4hvlA:
undetectable		 4q5mA-4hvlA:
20.38
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.
4hw6 HYPOTHETICAL
PROTEIN, IPT/TIG
DOMAIN PROTEIN

(Bacteroides
ovatus) 		PF01833
(TIG) 		5 GLY A  62
ILE A 104
VAL A 114
ARG A  63
ILE A  94
 None
 1.04A 4q5mA-4hw6A:
undetectable		 4q5mA-4hw6A:
18.33
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.
4i6m ACTIN-LIKE PROTEIN
ARP9

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		5 ILE B 335
VAL B 329
VAL B 164
ILE B 309
THR B 340
 None
 0.90A 4q5mA-4i6mB:
undetectable		 4q5mA-4i6mB:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4if2 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN

(Mycobacterium
tuberculosis) 		PF02126
(PTE) 		5 GLY A  96
ILE A  27
VAL A  66
ILE A 205
THR A 148
 KCX  A 145 ( 3.4A)
None
None
None
None
 1.03A 4q5mA-4if2A:
undetectable		 4q5mA-4if2A:
20.60
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 GLY A 857
ASN A 352
ILE A 797
VAL A 795
ILE A 819
 None
 1.03A 4q5mA-4iugA:
undetectable		 4q5mA-4iugA:
13.00
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.
4ix2 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Vibrio cholerae) 		PF00478
(IMPDH) 		5 GLY A 278
ILE A 323
VAL A 246
ILE A  69
THR A  37
 None
 1.02A 4q5mA-4ix2A:
undetectable		 4q5mA-4ix2A:
19.47
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.
4jen CMP N-GLYCOSIDASE

(Clostridium
botulinum) 		no annotation 5 ASP A  45
ILE A  71
ILE A 104
THR A  89
ILE A 130
 None
 0.96A 4q5mA-4jenA:
undetectable		 4q5mA-4jenA:
21.76
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.
4k8l PROLINE RACEMASE

(Ochrobactrum
anthropi) 		PF05544
(Pro_racemase) 		5 ILE A 245
ILE A 201
THR A 242
VAL A 157
ILE A 163
 None
 0.94A 4q5mA-4k8lA:
undetectable		 4q5mA-4k8lA:
20.64
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.
4ld6 PWWP
DOMAIN-CONTAINING
PROTEIN 2B

(Homo sapiens) 		PF00855
(PWWP) 		6 GLY A 496
ILE A 541
ARG A 554
VAL A 488
ILE A 511
THR A 482
 None
 1.01A 4q5mA-4ld6A:
undetectable		 4q5mA-4ld6A:
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.
4mwa 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Bacillus
anthracis) 		PF04551
(GcpE) 		5 GLY D  98
ILE D  73
VAL D  59
ILE D  46
THR D  36
 None
 1.01A 4q5mA-4mwaD:
undetectable		 4q5mA-4mwaD:
23.93
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.
4n6e THIS/MOAD FAMILY
PROTEIN

(Amycolatopsis
orientalis) 		PF02597
(ThiS) 		6 ASP B  64
ILE B  83
THR B  80
VAL B   3
ARG B  66
ILE B  42
 None
 1.46A 4q5mA-4n6eB:
undetectable		 4q5mA-4n6eB:
18.63
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 GLY A  27
ASP A  29
ILE A  47
ILE A  50
THR A  80
PRO A  81
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
 0.48A 4q5mA-4njvA:
17.6		 4q5mA-4njvA:
43.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 GLY A  94
ILE A   3
ILE A  43
VAL A  65
ILE A   9
 None
 0.98A 4q5mA-4o1eA:
undetectable		 4q5mA-4o1eA:
24.75
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.
4o6v OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Brucella suis) 		PF13561
(adh_short_C2) 		5 GLY A 228
ILE A 204
VAL A 175
ILE A 132
THR A 207
 None
 0.97A 4q5mA-4o6vA:
undetectable		 4q5mA-4o6vA:
22.36
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.
4oj5 TAILSPIKE PROTEIN

(Escherichia
virus CBA120) 		no annotation 6 GLY A 647
ILE A 675
ILE A 589
PRO A 641
VAL A 643
ILE A 607
 None
 1.29A 4q5mA-4oj5A:
undetectable		 4q5mA-4oj5A:
14.64
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.
4p22 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 1

(Homo sapiens) 		PF00899
(ThiF)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		6 ASP A 393
ILE A 397
ILE A  87
ARG A  81
VAL A  77
ILE A  91
 None
 1.29A 4q5mA-4p22A:
undetectable		 4q5mA-4p22A:
17.85
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.
4q3m MGS-M4

(unidentified) 		PF00248
(Aldo_ket_red) 		5 GLY A  37
ILE A  68
ILE A  15
VAL A 243
ILE A 217
 None
 0.97A 4q5mA-4q3mA:
undetectable		 4q5mA-4q3mA:
22.30
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.
4qc8 VP2

(Ungulate
bocaparvovirus
1) 		PF00740
(Parvo_coat) 		5 GLY A 158
ILE A  70
ILE A 453
VAL A 133
ILE A 451
 None
 1.00A 4q5mA-4qc8A:
undetectable		 4q5mA-4qc8A:
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.
4yhg GH5

(Bacteroidetes
bacterium AC2a) 		PF00150
(Cellulase) 		5 ASP A 227
ASN A 225
ILE A 334
VAL A 219
ARG A 287
 None
 1.04A 4q5mA-4yhgA:
undetectable		 4q5mA-4yhgA:
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		5 GLY A 106
ILE A 159
ILE A  81
VAL A  69
ILE A  83
 None
 1.00A 4q5mA-5cjuA:
undetectable		 4q5mA-5cjuA:
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.
5eb5 HNL ISOENZYME 5

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 252
VAL A 510
ARG A 249
VAL A 234
ILE A  32
 None
 1.01A 4q5mA-5eb5A:
undetectable		 4q5mA-5eb5A:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eft P9-1

(Southern rice
black-streaked
dwarf virus) 		PF06043
(Reo_P9) 		5 GLY B 208
ASN B 212
ILE B  14
VAL B 220
THR B   8
 None
 0.94A 4q5mA-5eftB:
undetectable		 4q5mA-5eftB:
19.76
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.
5ej2 CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		6 GLY A 115
ILE A  47
VAL A 140
VAL A 211
ILE A 257
THR A 213
 None
NAD  A 300 (-3.8A)
None
NAD  A 300 (-4.2A)
None
NAD  A 300 (-2.6A)
 1.10A 4q5mA-5ej2A:
undetectable		 4q5mA-5ej2A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fwm HEAT SHOCK PROTEIN
HSP 90 BETA

(Homo sapiens) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ILE A 182
ILE A  75
THR A 179
VAL A 202
ILE A 213
 None
None
ATP  A1691 (-4.4A)
None
None
 0.99A 4q5mA-5fwmA:
undetectable		 4q5mA-5fwmA:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA
METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT GAMMA

(Methanothermococcus
thermolithotrophicus) 		PF02240
(MCR_gamma)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 GLY B 346
ILE B 331
VAL B 267
ARG C 245
THR B 355
 None
 1.04A 4q5mA-5n1qB:
undetectable		 4q5mA-5n1qB:
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.
5n6y NITROGENASE
VANADIUM-IRON
PROTEIN BETA CHAIN

(Azotobacter
vinelandii) 		no annotation 6 ASN E 260
ILE E 293
THR E 279
PRO E 280
VAL E 210
THR E 297
 None
 1.20A 4q5mA-5n6yE:
undetectable		 4q5mA-5n6yE:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 6 GLY A 631
ASP A 633
ASN A1274
ILE A 581
ILE A1278
ILE A 565
 None
CA  A1501 (-2.3A)
None
None
None
None
 1.46A 4q5mA-5ngyA:
undetectable		 4q5mA-5ngyA:
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.
5osn CAPSID PROTEIN

(Enterovirus E) 		PF00073
(Rhv) 		5 GLY A  84
ASP A 220
VAL A 121
VAL A 136
ILE A 116
 None
 0.98A 4q5mA-5osnA:
undetectable		 4q5mA-5osnA:
20.65
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 GLY A  27
ASP A  29
ILE A  47
ILE A  50
THR A  80
PRO A  81
 None
 0.53A 4q5mA-5t2zA:
17.5		 4q5mA-5t2zA:
40.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 GLY A 176
ILE A 179
GLY A 163
ILE A 177
ILE A 150
 None
 1.01A 4q5mA-1b0kA:
undetectable		 4q5mA-1b0kA:
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.
1bs0 PROTEIN
(8-AMINO-7-OXONANOAT
E SYNTHASE)

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 VAL A 177
GLY A 213
GLY A 237
ILE A 212
ILE A 283
 None
 0.99A 4q5mA-1bs0A:
undetectable		 4q5mA-1bs0A:
21.17
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.
1dle COMPLEMENT FACTOR B

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A  66
ILE A  33
GLY A 196
ASP A 102
ILE A 106
 None
 0.85A 4q5mA-1dleA:
undetectable		 4q5mA-1dleA:
19.93
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.
1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN

(Methanocaldococcus
jannaschii) 		PF00005
(ABC_tran) 		5 GLY A 165
ILE A 192
GLY A 157
ILE A 164
VAL A  99
 None
 0.92A 4q5mA-1gajA:
undetectable		 4q5mA-1gajA:
25.28
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.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		5 ARG A 403
GLY A 226
GLY A 404
ASP A  45
ILE A 266
 GOL  A1451 (-4.1A)
None
None
GOL  A1451 (-3.9A)
None
 0.83A 4q5mA-1h4pA:
undetectable		 4q5mA-1h4pA:
17.85
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 ALA A  28
VAL A  32
GLY A  48
ILE A  84
ILE A  50
 A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
 1.01A 4q5mA-1hvcA:
33.5		 4q5mA-1hvcA:
95.57
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) 		11 ALA A  28
VAL A  32
GLY A  49
ILE A  84
GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.6A)
A79  A 800 (-3.0A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.53A 4q5mA-1hvcA:
33.5		 4q5mA-1hvcA:
95.57
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) 		11 ALA A  28
VAL A  32
GLY A  49
ILE A  84
GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 (-3.8A)
A79  A 800 (-3.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.55A 4q5mA-1hvcA:
33.5		 4q5mA-1hvcA:
95.57
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) 		11 ARG A   8
ALA A  28
VAL A  32
GLY A  49
GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.0A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.58A 4q5mA-1hvcA:
33.5		 4q5mA-1hvcA:
95.57
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) 		11 ARG A   8
ALA A  28
VAL A  32
GLY A  49
GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 (-3.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.61A 4q5mA-1hvcA:
33.5		 4q5mA-1hvcA:
95.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
ASP A  29
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.91A 4q5mA-1hvcA:
33.5		 4q5mA-1hvcA:
95.57
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.
1i2d ATP SULFURYLASE

(Penicillium
chrysogenum) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 ARG A 437
ALA A 474
ILE A 458
GLY A 433
VAL A 502
 ADX  A 575 (-3.7A)
None
None
ADX  A 575 ( 4.3A)
None
 0.97A 4q5mA-1i2dA:
undetectable		 4q5mA-1i2dA:
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.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		5 ILE A 162
GLY A 152
ASP A 148
GLY A  99
ILE A 145
 None
None
ADN  A 500 (-3.7A)
ADN  A 500 (-3.2A)
CL  A 300 ( 4.7A)
 0.91A 4q5mA-1jg3A:
undetectable		 4q5mA-1jg3A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jny ELONGATION FACTOR
1-ALPHA

(Sulfolobus
solfataricus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A 422
ASP A 414
GLY A 420
ILE A 330
VAL A 349
 None
 0.90A 4q5mA-1jnyA:
undetectable		 4q5mA-1jnyA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kve SMK TOXIN

(Millerozyma
farinosa) 		no annotation 5 ALA B 189
GLY B 153
GLY B 155
ILE B 203
PRO B 214
 None
 1.01A 4q5mA-1kveB:
undetectable		 4q5mA-1kveB:
18.90
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.
1ou0 PRECORRIN-8X
METHYLMUTASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF02570
(CbiC) 		5 ALA A  40
GLY A 190
ILE A 198
GLY A 135
ILE A 161
 None
 0.78A 4q5mA-1ou0A:
undetectable		 4q5mA-1ou0A:
23.87
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		5 VAL A 189
GLY A 194
ASP A  29
GLY A  24
ILE A 178
 None
 1.03A 4q5mA-1poiA:
undetectable		 4q5mA-1poiA:
21.22
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.
1rtk COMPLEMENT FACTOR B

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		5 VAL A 514
ILE A 474
GLY A 675
ASP A 551
ILE A 555
 None
 0.99A 4q5mA-1rtkA:
undetectable		 4q5mA-1rtkA:
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.
1si1 IRON BINDING PROTEIN
FBPA

(Mannheimia
haemolytica) 		PF13343
(SBP_bac_6) 		5 VAL A 271
GLY A 233
ASP A  93
VAL A  54
ILE A 236
 None
 1.03A 4q5mA-1si1A:
undetectable		 4q5mA-1si1A:
19.81
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.
1si1 IRON BINDING PROTEIN
FBPA

(Mannheimia
haemolytica) 		PF13343
(SBP_bac_6) 		5 VAL A 271
GLY A 233
ILE A  84
VAL A  54
ILE A 236
 None
 0.99A 4q5mA-1si1A:
undetectable		 4q5mA-1si1A:
19.81
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.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.60A 4q5mA-1sivA:
15.6		 4q5mA-1sivA:
28.08
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.
1uli BIPHENYL DIOXYGENASE
LARGE SUBUNIT

(Rhodococcus
jostii) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 ALA A 214
VAL A 342
GLY A 379
ILE A 340
ILE A 385
 None
 0.87A 4q5mA-1uliA:
undetectable		 4q5mA-1uliA:
18.46
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.
1vyh PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
ALPHA SUBUNIT

(Mus musculus) 		PF00400
(WD40) 		5 ALA C 166
VAL C 221
ILE C 207
PRO C 118
ILE C 115
 None
 1.03A 4q5mA-1vyhC:
undetectable		 4q5mA-1vyhC:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w3f HEMOLYTIC LECTIN
FROM LAETIPORUS
SULPHUREUS

(Laetiporus
sulphureus) 		PF03318
(ETX_MTX2) 		5 GLY A 241
GLY A 296
ILE A 297
PRO A 221
VAL A 220
 None
 0.96A 4q5mA-1w3fA:
undetectable		 4q5mA-1w3fA:
20.06
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.
1ydw AX110P-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF01408
(GFO_IDH_MocA) 		5 GLY A  10
GLY A  95
ILE A  72
VAL A  77
ILE A  98
 None
 1.01A 4q5mA-1ydwA:
undetectable		 4q5mA-1ydwA:
19.02
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.
1zjk MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 ALA A 481
ILE A 652
GLY A 470
VAL A 517
ILE A 536
 None
 0.92A 4q5mA-1zjkA:
undetectable		 4q5mA-1zjkA:
17.85
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.
2csu 457AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		5 ARG A 123
GLY A 131
ASP A 187
ILE A 132
ILE A  94
 None
 1.01A 4q5mA-2csuA:
undetectable		 4q5mA-2csuA:
20.29
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.
2dup VESICULAR
INTEGRAL-MEMBRANE
PROTEIN VIP36

(Canis lupus) 		PF03388
(Lectin_leg-like) 		5 ARG A 172
ILE A 177
GLY A 201
ILE A 159
ILE A 242
 None
 1.03A 4q5mA-2dupA:
undetectable		 4q5mA-2dupA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ARG A   8
ALA A  28
VAL A  32
GLY A  55
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-4.2A)
 0.51A 4q5mA-2fmbA:
12.7		 4q5mA-2fmbA:
24.14
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 GLY A  27
ASP A  29
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-3.8A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.47A 4q5mA-2fmbA:
12.7		 4q5mA-2fmbA:
24.14
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.
2i6u ORNITHINE
CARBAMOYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLY A 173
ILE A 139
GLY A 144
GLY A 148
ILE A 174
 None
 0.96A 4q5mA-2i6uA:
undetectable		 4q5mA-2i6uA:
22.41
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLY A 305
ILE A 341
GLY A 320
VAL A 313
ILE A 315
 None
None
None
None
CB3  A 604 ( 3.7A)
 0.84A 4q5mA-2oipA:
undetectable		 4q5mA-2oipA:
17.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rhk NON-STRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 VAL A 194
GLY A 179
GLY A 158
GLY A 183
ILE A 182
 None
None
None
None
NO3  A   3 ( 4.4A)
 0.94A 4q5mA-2rhkA:
undetectable		 4q5mA-2rhkA:
22.38
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 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 (-3.9A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.50A 4q5mA-2rkfA:
18.1		 4q5mA-2rkfA:
42.36
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.
2v6g PROGESTERONE
5-BETA-REDUCTASE

(Digitalis
lanata) 		PF01370
(Epimerase) 		5 VAL A  58
GLY A  39
ILE A  75
GLY A  33
ILE A  31
 None
None
None
NAP  A1390 (-3.1A)
None
 1.01A 4q5mA-2v6gA:
undetectable		 4q5mA-2v6gA:
21.16
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.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		5 ALA A 347
GLY A 352
ILE A  60
ILE A 353
ILE A 197
 None
 0.99A 4q5mA-2vhlA:
undetectable		 4q5mA-2vhlA:
20.76
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.
2vvq RIBOSE-5-PHOSPHATE
ISOMERASE B

(Mycobacterium
tuberculosis) 		PF02502
(LacAB_rpiB) 		5 ALA A  96
VAL A 124
GLY A 109
GLY A 111
ILE A 110
 None
 1.03A 4q5mA-2vvqA:
undetectable		 4q5mA-2vvqA:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w8q SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		5 ALA A 270
GLY A  94
ASP A  92
VAL A 226
ILE A 257
 None
 0.93A 4q5mA-2w8qA:
undetectable		 4q5mA-2w8qA:
16.70
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		5 VAL F 514
ILE F 474
GLY F 675
ASP F 551
ILE F 555
 None
 0.98A 4q5mA-2xwbF:
undetectable		 4q5mA-2xwbF:
13.90
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.
2zp2 KINASE A INHIBITOR

(Bacillus
subtilis) 		PF02682
(CT_C_D) 		5 VAL A 130
GLY A 199
GLY A 178
ILE A 198
ILE A 104
 None
 1.03A 4q5mA-2zp2A:
undetectable		 4q5mA-2zp2A:
21.18
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.
2zzg ALANYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01411
(tRNA-synt_2c)
PF07973
(tRNA_SAD) 		5 ALA A 665
ILE A 731
GLY A 615
GLY A 726
ILE A 709
 None
 0.95A 4q5mA-2zzgA:
undetectable		 4q5mA-2zzgA:
13.50
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.
3agf GLUTAMINASE 1

(Bacillus
subtilis) 		PF04960
(Glutaminase) 		5 VAL A 234
ILE A 235
GLY A 218
ILE A 220
PRO A 281
 None
 1.02A 4q5mA-3agfA:
undetectable		 4q5mA-3agfA:
21.56
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.
3beu TRYPSIN

(Streptomyces
griseus) 		PF00089
(Trypsin) 		5 ALA A  55
ILE A 212
GLY A  44
VAL A  88
ILE A 106
 None
 0.93A 4q5mA-3beuA:
undetectable		 4q5mA-3beuA:
21.61
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.
3esh PROTEIN SIMILAR TO
METAL-DEPENDENT
HYDROLASE

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		5 ARG A 273
VAL A  81
GLY A  67
GLY A  65
ILE A  66
 None
 0.79A 4q5mA-3eshA:
undetectable		 4q5mA-3eshA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hh8 METAL ABC
TRANSPORTER
SUBSTRATE-BINDING
LIPOPROTEIN

(Streptococcus
pyogenes) 		PF01297
(ZnuA) 		5 ALA A 140
VAL A 124
ILE A 122
PRO A  66
ILE A  41
 None
 0.97A 4q5mA-3hh8A:
undetectable		 4q5mA-3hh8A:
19.93
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 GLY A 296
ILE A 332
GLY A 311
VAL A 304
ILE A 306
 None
None
None
None
GOL  A 516 (-3.9A)
 0.80A 4q5mA-3kjrA:
undetectable		 4q5mA-3kjrA:
18.48
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.
3ksg PUTATIVE
UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF13185
(GAF_2) 		5 ALA A  81
GLY A 122
GLY A  74
ILE A 120
ILE A  71
 None
None
None
None
SME  A6888 ( 4.2A)
 0.95A 4q5mA-3ksgA:
undetectable		 4q5mA-3ksgA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzw CYTOSOL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ALA A 287
GLY A 258
GLY A 291
VAL A 240
ILE A 242
 None
 0.96A 4q5mA-3kzwA:
undetectable		 4q5mA-3kzwA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m5r NONSTRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 VAL A 194
GLY A 179
GLY A 158
GLY A 183
ILE A 182
 None
 0.90A 4q5mA-3m5rA:
undetectable		 4q5mA-3m5rA:
26.15
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 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.60A 4q5mA-3mwsA:
16.8		 4q5mA-3mwsA:
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.
3my9 MUCONATE
CYCLOISOMERASE

(Azorhizobium
caulinodans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 272
GLY A 297
PRO A 352
VAL A 351
ILE A 135
 None
 0.98A 4q5mA-3my9A:
undetectable		 4q5mA-3my9A:
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.
3p39 NONSTRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 VAL A 189
GLY A 174
GLY A 153
GLY A 178
ILE A 177
 None
 0.88A 4q5mA-3p39A:
undetectable		 4q5mA-3p39A:
24.15
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.
3q58 N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Salmonella
enterica) 		PF04131
(NanE) 		5 ALA A 103
GLY A 151
ILE A  70
ILE A 182
ILE A 147
 None
 1.03A 4q5mA-3q58A:
undetectable		 4q5mA-3q58A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r0z D-SERINE DEHYDRATASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 ALA A 286
VAL A 272
GLY A 250
GLY A 281
VAL A  47
 None
None
None
SO4  A 449 (-3.3A)
None
 0.87A 4q5mA-3r0zA:
undetectable		 4q5mA-3r0zA:
18.48
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.
3rvx PEPTIDASE 1

(Dermatophagoides
pteronyssinus) 		PF00112
(Peptidase_C1) 		5 GLY A  39
ILE A 113
GLY A  87
GLY A  79
ILE A  80
 None
 0.93A 4q5mA-3rvxA:
undetectable		 4q5mA-3rvxA:
20.85
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		5 ALA A 919
ILE A 956
GLY A 951
VAL A1236
ILE A 926
 None
 0.94A 4q5mA-3sfzA:
undetectable		 4q5mA-3sfzA:
9.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tsd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 ALA A 247
GLY A  70
ILE A 277
GLY A  50
VAL A  85
 None
 1.02A 4q5mA-3tsdA:
undetectable		 4q5mA-3tsdA:
17.93
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 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 (-3.6A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.58A 4q5mA-3ttpA:
16.7		 4q5mA-3ttpA:
39.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 017  A 201 ( 3.5A)
017  A 201 (-3.2A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.51A 4q5mA-3u7sA:
17.0		 4q5mA-3u7sA:
38.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 VAL A  46
GLY A  64
ILE A 104
GLY A  33
ILE A 139
 None
 0.92A 4q5mA-3uw2A:
undetectable		 4q5mA-3uw2A:
19.67
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.
3vis ESTERASE

(Thermobifida
alba) 		PF12740
(Chlorophyllase2) 		5 GLY A 167
ILE A 113
GLY A 258
ILE A  95
ILE A 210
 None
 0.99A 4q5mA-3visA:
undetectable		 4q5mA-3visA:
21.84
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.
3w0l GLUCOKINASE
REGULATORY PROTEIN

(Xenopus laevis) 		no annotation 5 GLY B 341
ILE B 370
GLY B 365
GLY B 361
ILE B 342
 None
 1.03A 4q5mA-3w0lB:
undetectable		 4q5mA-3w0lB:
17.34
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.
3wq4 BETA-PRIMEVEROSIDASE

(Camellia
sinensis) 		PF00232
(Glyco_hydro_1) 		5 ILE A 149
GLY A  46
PRO A 494
VAL A 482
ILE A 481
 None
 0.91A 4q5mA-3wq4A:
undetectable		 4q5mA-3wq4A:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wz2 UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09754
(PAC2) 		5 GLY A 131
ILE A 153
GLY A 129
ILE A 130
ILE A 111
 None
 0.89A 4q5mA-3wz2A:
undetectable		 4q5mA-3wz2A:
23.05
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.
4a3s 6-PHOSPHOFRUCTOKINAS
E

(Bacillus
subtilis) 		PF00365
(PFK) 		5 VAL A 122
GLY A  15
GLY A  11
GLY A 138
ILE A 137
 None
 0.79A 4q5mA-4a3sA:
undetectable		 4q5mA-4a3sA:
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.
4cg1 CUTINASE

(Thermobifida
fusca) 		PF12740
(Chlorophyllase2) 		5 GLY A 128
ILE A  74
GLY A 219
ILE A  56
ILE A 171
 None
 0.96A 4q5mA-4cg1A:
undetectable		 4q5mA-4cg1A:
21.55
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.
4cxh ELONGATION FACTOR 1A

(Oryctolagus
cuniculus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A 422
ASP A 414
GLY A 420
ILE A 330
VAL A 349
 None
A  Y  64 ( 3.8A)
None
None
None
 0.97A 4q5mA-4cxhA:
undetectable		 4q5mA-4cxhA:
18.48
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.
4fxg MANNAN-BINDING
LECTIN SERINE
PROTEASE 2 B CHAIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA H 481
ILE H 652
GLY H 470
VAL H 517
ILE H 536
 None
 0.99A 4q5mA-4fxgH:
undetectable		 4q5mA-4fxgH:
22.36
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.
4gnr ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN-BRANCHED
CHAIN AMINO ACID
TRANSPORT

(Streptococcus
pneumoniae) 		PF13458
(Peripla_BP_6) 		5 VAL A 246
ASP A 262
ILE A 281
VAL A 170
ILE A 166
 None
ILE  A 401 (-2.8A)
None
None
None
 0.99A 4q5mA-4gnrA:
undetectable		 4q5mA-4gnrA:
20.61
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.
4hpn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 305
GLY A  46
GLY A 362
GLY A  44
ILE A 117
 None
 1.01A 4q5mA-4hpnA:
undetectable		 4q5mA-4hpnA:
20.16
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.
4k5u VARIABLE LYMPHOCYTE
RECEPTOR

(Petromyzon
marinus) 		no annotation 5 GLY B  63
GLY B  18
PRO B  25
VAL B  24
ILE B  42
 None
 0.78A 4q5mA-4k5uB:
undetectable		 4q5mA-4k5uB:
22.98
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.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1

(Physcomitrella
patens) 		PF01156
(IU_nuc_hydro) 		5 ALA A  60
GLY A  27
ASP A  29
ILE A  51
ILE A  34
 None
None
CA  A 400 ( 4.5A)
None
None
 0.94A 4q5mA-4kpnA:
undetectable		 4q5mA-4kpnA:
22.64
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 ALA A  43
GLY A  10
ASP A  12
ILE A  34
ILE A  17
 None
None
CA  A 401 ( 4.8A)
None
None
 0.92A 4q5mA-4kpoA:
undetectable		 4q5mA-4kpoA:
19.71
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.
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4

(Homo sapiens) 		PF01462
(LRRNT)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 GLY A  90
GLY A  45
PRO A  52
VAL A  51
ILE A  69
 None
 0.85A 4q5mA-4kt1A:
undetectable		 4q5mA-4kt1A:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l68 LEUCINE-RICH REPEAT
PROTEIN KINASE-LIKE
PROTEIN

(Arabidopsis
thaliana) 		PF07714
(Pkinase_Tyr) 		5 VAL A 434
GLY A 493
ILE A 435
GLY A 407
ILE A 430
 None
 0.90A 4q5mA-4l68A:
undetectable		 4q5mA-4l68A:
19.24
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.
4m8j L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Proteus
mirabilis) 		PF02028
(BCCT) 		5 VAL A  22
GLY A 205
GLY A 460
ILE A 459
ILE A 423
 None
 0.81A 4q5mA-4m8jA:
undetectable		 4q5mA-4m8jA:
20.90
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.
4mrq PHOSPHOMANNOMUTASE/P
HOSPHOGLUCOMUTASE

(Pseudomonas
aeruginosa) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A 418
GLY A 399
ILE A 444
VAL A 409
ILE A 403
 None
 0.99A 4q5mA-4mrqA:
undetectable		 4q5mA-4mrqA:
19.12
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 ARG A   8
ALA A  28
VAL A  32
GLY A  49
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.40A 4q5mA-4njvA:
17.6		 4q5mA-4njvA:
43.35
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 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.59A 4q5mA-4njvA:
17.6		 4q5mA-4njvA:
43.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o9r SMOOTHENED
HOMOLOG/SOLUBLE
CYTOCHROME B562
CHIMERIC PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01534
(Frizzled)
PF07361
(Cytochrom_B562) 		5 ALA A 283
GLY A 277
ILE A 317
GLY A 388
ILE A 234
 None
 0.95A 4q5mA-4o9rA:
undetectable		 4q5mA-4o9rA:
18.70
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.
4qlj BETA-GLUCOSIDASE 7

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 ILE A 122
GLY A  22
PRO A 463
VAL A 452
ILE A 451
 None
 0.96A 4q5mA-4qljA:
undetectable		 4q5mA-4qljA:
17.08
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.
4xfj ARGININOSUCCINATE
SYNTHASE

(Mycolicibacterium
thermoresistibile) 		PF00764
(Arginosuc_synth) 		6 ALA A 240
VAL A 220
GLY A 276
ILE A 230
GLY A 248
VAL A 180
 None
 0.88A 4q5mA-4xfjA:
undetectable		 4q5mA-4xfjA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aew BIPHENYL DIOXYGENASE
SUBUNIT ALPHA

(Paraburkholderia
xenovorans) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 ALA A 223
VAL A 352
GLY A 389
ILE A 350
ILE A 395
 None
 0.91A 4q5mA-5aewA:
undetectable		 4q5mA-5aewA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fnu KELCH-LIKE
ECH-ASSOCIATED
PROTEIN 1

(Mus musculus) 		PF01344
(Kelch_1) 		5 GLY A 605
GLY A 462
GLY A 603
VAL A 377
ILE A 416
 None
L6I  A1615 ( 3.2A)
L6I  A1615 (-3.3A)
None
None
 1.00A 4q5mA-5fnuA:
undetectable		 4q5mA-5fnuA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hn4 HOMOISOCITRATE
DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00180
(Iso_dh) 		5 ALA A  26
ILE A 319
GLY A 282
ILE A 285
VAL A  31
 None
 0.99A 4q5mA-5hn4A:
undetectable		 4q5mA-5hn4A:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lkm DNA REPAIR PROTEIN
RADA

(Streptococcus
pneumoniae) 		PF13481
(AAA_25)
PF13541
(ChlI) 		5 ALA A 371
GLY A 391
ILE A 444
ILE A 399
VAL A 294
 None
 1.01A 4q5mA-5lkmA:
undetectable		 4q5mA-5lkmA:
20.56
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.
5mlh -

(-) 		no annotation 5 VAL A  58
GLY A  39
ILE A  75
GLY A  33
ILE A  31
 None
None
None
NAP  A 404 (-3.1A)
None
 0.97A 4q5mA-5mlhA:
undetectable		 4q5mA-5mlhA:
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.
5ohx CYSTATHIONINE
BETA-SYNTHASE

(Apis mellifera) 		no annotation 5 ARG A 225
GLY A 213
GLY A 224
GLY A 217
PRO A 333
 HEM  A 701 (-4.0A)
None
None
PLP  A 702 (-3.6A)
PLP  A 702 (-4.0A)
 0.93A 4q5mA-5ohxA:
undetectable		 4q5mA-5ohxA:
17.24
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) 		5 ARG A   8
ALA A  28
VAL A  32
GLY A  49
ILE A  84
 None
 0.39A 4q5mA-5t2zA:
17.5		 4q5mA-5t2zA:
40.39
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 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.62A 4q5mA-5t2zA:
17.5		 4q5mA-5t2zA:
40.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tv2 ELONGATION FACTOR G

(Vibrio
vulnificus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		5 ALA A 382
GLY A 385
GLY A 329
VAL A 389
ILE A 322
 None
 0.87A 4q5mA-5tv2A:
undetectable		 4q5mA-5tv2A:
18.63
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.
5ucy TUBULIN ALPHA CHAIN

(Tetrahymena
thermophila) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 VAL A  74
GLY A  13
ILE A  75
GLY A  17
ILE A   7
 None
 0.88A 4q5mA-5ucyA:
undetectable		 4q5mA-5ucyA:
17.08
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.
5w94 MAU2 CHROMATID
COHESION FACTOR
HOMOLOG
SISTER CHROMATID
COHESION PROTEIN 2

(Saccharomyces
cerevisiae) 		PF10345
(Cohesin_load)
no annotation 		5 ALA B  17
ILE B  14
GLY B  12
GLY A 589
ILE A 588
 None
 1.01A 4q5mA-5w94B:
undetectable		 4q5mA-5w94B:
22.48
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.
5xdy HEAT SHOCK PROTEIN
HTRA

(Mycobacterium
tuberculosis) 		no annotation 5 ALA A 308
GLY A 256
ILE A 272
ILE A 243
VAL A 259
 None
 0.95A 4q5mA-5xdyA:
undetectable		 4q5mA-5xdyA:
17.00
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.
5xsx CHITINASE

(Thermococcus
chitonophagus) 		no annotation 5 ARG A 499
ASP A 487
GLY A 484
ILE A 483
ILE A 700
 GOL  A1004 (-4.0A)
GOL  A1004 (-3.5A)
None
None
None
 0.92A 4q5mA-5xsxA:
undetectable		 4q5mA-5xsxA:
16.26
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.
5z11 CD8 ALPHA CHAIN

(Ctenopharyngodon
idella) 		no annotation 5 VAL A  19
ILE A  76
ASP A  43
GLY A  86
ILE A 106
 None
 1.01A 4q5mA-5z11A:
undetectable		 4q5mA-5z11A:
20.47
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 5 ALA A 575
VAL A 569
ILE A 570
GLY A 439
ILE A 438
 None
 1.00A 4q5mA-6cipA:
undetectable		 4q5mA-6cipA:
17.24
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.
6fmq -

(-) 		no annotation 5 GLY A 605
GLY A 462
GLY A 603
VAL A 377
ILE A 416
 None
None
ACT  A 705 ( 3.8A)
None
None
 1.01A 4q5mA-6fmqA:
undetectable		 4q5mA-6fmqA:
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.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 GLY A  27
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 NIU  A 100 (-4.5A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.84A 4q5mA-6upjA:
15.3		 4q5mA-6upjA:
26.60
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.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 GLY A  27
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-4.5A)
None
NIU  A 100 ( 3.8A)
None
None
 0.75A 4q5mA-6upjA:
15.3		 4q5mA-6upjA:
26.60
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.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		3 ASP A 215
ASP A  32
ASN A  37
 None
 0.58A 4q5mA-1am5A:
9.3		 4q5mA-1am5A:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		3 ASP A 122
ASP A 433
ASN A 436
 None
 0.78A 4q5mA-1b2hA:
undetectable		 4q5mA-1b2hA:
16.89
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.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp) 		3 ASP A 215
ASP A  32
ASN A  37
 None
 0.66A 4q5mA-1g0vA:
9.4		 4q5mA-1g0vA:
23.38
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.
1htr GASTRICSIN

(Homo sapiens) 		PF00026
(Asp) 		3 ASP B 217
ASP B  32
ASN B  37
 None
 0.60A 4q5mA-1htrB:
8.3		 4q5mA-1htrB:
23.31
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.
1i74 PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
mutans) 		PF01368
(DHH)
PF02833
(DHHA2) 		3 ASP A 149
ASP A  75
ASN A  77
 MN  A 402 ( 2.6A)
MN  A 401 (-2.5A)
None
 0.84A 4q5mA-1i74A:
undetectable		 4q5mA-1i74A:
20.70
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.
1nrw HYPOTHETICAL
PROTEIN, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		3 ASP A 237
ASP A   7
ASN A  65
 CA  A 903 (-2.9A)
PO4  A 900 ( 2.6A)
None
 0.82A 4q5mA-1nrwA:
undetectable		 4q5mA-1nrwA:
21.28
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.
1o4z BETA-AGARASE B

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		3 ASP A 102
ASP A 103
ASN A  92
 None
 0.81A 4q5mA-1o4zA:
undetectable		 4q5mA-1o4zA:
19.76
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.
1p8r ARGINASE 1

(Rattus
norvegicus) 		PF00491
(Arginase) 		3 ASP A 124
ASP A 128
ASN A 139
 MN  A 500 (-2.6A)
MN  A 501 ( 2.6A)
None
 0.81A 4q5mA-1p8rA:
undetectable		 4q5mA-1p8rA:
22.00
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.
1q0p COMPLEMENT FACTOR B

(Homo sapiens) 		PF00092
(VWA) 		3 ASP A 364
ASP A 251
ASN A 329
 MN  A 500 ( 4.0A)
MN  A 500 ( 4.0A)
None
 0.66A 4q5mA-1q0pA:
undetectable		 4q5mA-1q0pA:
20.90
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.
1qdm PROPHYTEPSIN

(Hordeum vulgare) 		PF00026
(Asp)
PF03489
(SapB_2)
PF05184
(SapB_1) 		3 ASP A 223
ASP A  36
ASN A  41
 None
 0.59A 4q5mA-1qdmA:
9.3		 4q5mA-1qdmA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		3 ASP E 215
ASP E  32
ASN E  37
 HH0  E 327 (-2.5A)
HH0  E 327 (-2.7A)
None
 0.52A 4q5mA-1qrpE:
10.2		 4q5mA-1qrpE:
24.48
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.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		3 ASP A 214
ASP A  34
ASN A  39
 None
 0.53A 4q5mA-1qs8A:
9.9		 4q5mA-1qs8A:
22.78
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.
1rtk COMPLEMENT FACTOR B

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		3 ASP A 364
ASP A 251
ASN A 329
 MG  A 749 ( 4.4A)
MG  A 749 ( 4.3A)
None
 0.66A 4q5mA-1rtkA:
undetectable		 4q5mA-1rtkA:
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.
1smr RENIN

(Mus musculus) 		PF00026
(Asp) 		3 ASP A 215
ASP A  32
ASN A  37
 None
 0.71A 4q5mA-1smrA:
5.3		 4q5mA-1smrA:
22.82
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.
1t0p INTEGRIN ALPHA-L

(Homo sapiens) 		PF00092
(VWA) 		3 ASP A 239
ASP A 137
ASN A 207
 MG  A 901 ( 3.9A)
MG  A 901 ( 4.0A)
None
 0.83A 4q5mA-1t0pA:
undetectable		 4q5mA-1t0pA:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1toz NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 1

(Homo sapiens) 		PF00008
(EGF)
PF07645
(EGF_CA) 		3 ASP A 452
ASP A 469
ASN A 459
 None
 0.56A 4q5mA-1tozA:
undetectable		 4q5mA-1tozA:
19.02
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.
1tzs CATHEPSIN E

(Homo sapiens) 		PF00026
(Asp) 		3 ASP A 228
ASP A  43
ASN A  48
 None
 0.61A 4q5mA-1tzsA:
10.0		 4q5mA-1tzsA:
22.75
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.
1wkr POLYPOROPEPSIN

(Irpex lacteus) 		PF00026
(Asp) 		3 ASP A 212
ASP A  32
ASN A  37
 None
 0.55A 4q5mA-1wkrA:
9.8		 4q5mA-1wkrA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y75 PHOSPHOLIPASE A2
ISOFORM 5
PHOSPHOLIPASE A2
ISOFORM 6

(Naja
sagittifera) 		PF00068
(Phospholip_A2_1) 		3 ASP A  24
ASP B  24
ASN B 110
 ZN  A 401 (-2.1A)
ZN  A 401 (-2.1A)
None
 0.56A 4q5mA-1y75A:
undetectable		 4q5mA-1y75A:
19.61
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.
1y75 PHOSPHOLIPASE A2
ISOFORM 5
PHOSPHOLIPASE A2
ISOFORM 6

(Naja
sagittifera) 		PF00068
(Phospholip_A2_1) 		3 ASP B  24
ASP A  24
ASN A 110
 ZN  A 401 (-2.1A)
ZN  A 401 (-2.1A)
None
 0.60A 4q5mA-1y75B:
undetectable		 4q5mA-1y75B:
16.59
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.
2anl PLASMEPSIN IV

(Plasmodium
malariae) 		PF00026
(Asp) 		3 ASP A 214
ASP A  34
ASN A  39
 JE2  A3151 (-2.5A)
JE2  A3151 (-3.0A)
None
 0.65A 4q5mA-2anlA:
9.6		 4q5mA-2anlA:
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.
2bju PLASMEPSIN II

(Plasmodium
falciparum) 		PF00026
(Asp) 		3 ASP A 214
ASP A  34
ASN A  39
 IH4  A1330 (-3.3A)
IH4  A1330 (-4.2A)
None
 0.84A 4q5mA-2bjuA:
8.9		 4q5mA-2bjuA:
18.53
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.
2bws XAA-PRO
AMINOPEPTIDASE P

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		3 ASP A 271
ASP A 260
ASN A 230
 MN  A1442 ( 2.4A)
MN  A1442 (-2.0A)
None
 0.84A 4q5mA-2bwsA:
undetectable		 4q5mA-2bwsA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cev PROTEIN (ARGINASE)

([Bacillus]
caldovelox) 		PF00491
(Arginase) 		3 ASP A 122
ASP A 126
ASN A 137
 MN  A 302 (-2.5A)
MN  A 301 ( 2.6A)
None
 0.74A 4q5mA-2cevA:
undetectable		 4q5mA-2cevA:
23.64
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.
2dg0 DRP35

(Staphylococcus
aureus) 		PF08450
(SGL) 		3 ASP A 236
ASP A 138
ASN A  88
 None
 0.79A 4q5mA-2dg0A:
undetectable		 4q5mA-2dg0A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ef4 ARGINASE

(Thermus
thermophilus) 		PF00491
(Arginase) 		3 ASP A 119
ASP A 123
ASN A 134
 None
 0.76A 4q5mA-2ef4A:
undetectable		 4q5mA-2ef4A:
20.68
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.
2ewy BETA-SECRETASE 2

(Homo sapiens) 		PF00026
(Asp) 		3 ASP A 241
ASP A  48
ASN A  53
 DBO  A1001 (-3.2A)
DBO  A1001 (-2.7A)
None
 0.61A 4q5mA-2ewyA:
9.2		 4q5mA-2ewyA:
23.65
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		3 ASP A 221
ASP A  33
ASN A  38
 4IG  A 885 (-2.6A)
4IG  A 885 (-2.7A)
None
 0.60A 4q5mA-2g1sA:
10.6		 4q5mA-2g1sA:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i34 ACID PHOSPHATASE

(Bacillus
anthracis) 		PF03767
(Acid_phosphat_B) 		3 ASP A 184
ASP A 180
ASN A  73
 MG  A 301 ( 4.2A)
MG  A 301 (-2.5A)
None
 0.71A 4q5mA-2i34A:
undetectable		 4q5mA-2i34A:
20.91
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.
2l1w CALMODULIN

(Glycine max) 		PF13499
(EF-hand_7) 		3 ASP A  95
ASP A  93
ASN A 137
 CA  A 221 (-2.3A)
CA  A 221 (-3.5A)
CA  A 234 (-3.6A)
 0.83A 4q5mA-2l1wA:
undetectable		 4q5mA-2l1wA:
21.36
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.
2mte CELLULOSE
1,4-BETA-CELLOBIOSID
ASE (REDUCING END)
CELS

(Ruminiclostridium
thermocellum) 		PF00404
(Dockerin_1) 		3 ASP A  43
ASP A  50
ASN A  37
 CA  A 102 (-2.1A)
CA  A 102 (-1.9A)
None
 0.60A 4q5mA-2mteA:
undetectable		 4q5mA-2mteA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2odp COMPLEMENT C2

(Homo sapiens) 		PF00089
(Trypsin)
PF00092
(VWA) 		3 ASP A 356
ASP A 240
ASN A 318
 MG  A 901 ( 4.0A)
MG  A 901 ( 3.9A)
None
 0.72A 4q5mA-2odpA:
undetectable		 4q5mA-2odpA:
18.15
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.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		3 ASP A 718
ASP A 696
ASN A1017
 CA  A  29 ( 2.3A)
CA  A  28 ( 2.6A)
None
 0.70A 4q5mA-2rhpA:
undetectable		 4q5mA-2rhpA:
15.18
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.
2vdw VACCINIA VIRUS
CAPPING ENZYME D1
SUBUNIT

(Vaccinia virus) 		PF03291
(Pox_MCEL) 		3 ASP A 676
ASP A 604
ASN A 601
 SAH  A1846 ( 4.7A)
SAH  A1846 ( 4.5A)
SO4  A1845 (-4.1A)
 0.83A 4q5mA-2vdwA:
undetectable		 4q5mA-2vdwA:
21.45
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.
2we9 MOBA-RELATED PROTEIN

(Mycobacterium
tuberculosis) 		PF12804
(NTP_transf_3) 		3 ASP A 105
ASP A 183
ASN A  17
 GOL  A1196 (-3.4A)
None
None
 0.84A 4q5mA-2we9A:
undetectable		 4q5mA-2we9A:
23.28
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		3 ASP F 364
ASP F 251
ASN F 329
 MG  F1742 ( 4.2A)
MG  F1742 ( 4.5A)
None
 0.83A 4q5mA-2xwbF:
undetectable		 4q5mA-2xwbF:
13.90
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		3 ASP A 744
ASP A 639
ASN A 717
 None
 0.85A 4q5mA-3ak5A:
undetectable		 4q5mA-3ak5A:
12.27
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.
3bij UNCHARACTERIZED
PROTEIN GSU0716

(Geobacter
sulfurreducens) 		PF00656
(Peptidase_C14) 		3 ASP A 133
ASP A  32
ASN A  27
 None
 0.84A 4q5mA-3bijA:
undetectable		 4q5mA-3bijA:
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.
3et5 OUTER MEMBRANE
PROTEIN P4, NADP
PHOSPHATASE

(Haemophilus
influenzae) 		PF03767
(Acid_phosphat_B) 		3 ASP A 185
ASP A 181
ASN A  72
 MG  A 255 ( 4.2A)
MG  A 255 (-2.6A)
None
 0.73A 4q5mA-3et5A:
undetectable		 4q5mA-3et5A:
20.90
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.
3ewe NUCLEOPORIN NUP85

(Saccharomyces
cerevisiae) 		PF07575
(Nucleopor_Nup85) 		3 ASP B 330
ASP B 334
ASN B 342
 None
 0.79A 4q5mA-3eweB:
undetectable		 4q5mA-3eweB:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		3 ASP A 290
ASP A 271
ASN A 589
 CA  A 802 ( 2.3A)
CA  A 801 ( 2.8A)
None
 0.75A 4q5mA-3fbyA:
undetectable		 4q5mA-3fbyA:
15.15
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.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		3 ASP A 664
ASP A 519
ASN A 338
 CA  A 802 (-3.2A)
CA  A 802 (-3.2A)
None
 0.56A 4q5mA-3higA:
undetectable		 4q5mA-3higA:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 ASP B  23
ASP B 466
ASN B  80
 CO  B 563 ( 2.2A)
CO  B 563 (-2.4A)
None
 0.80A 4q5mA-3igzB:
undetectable		 4q5mA-3igzB:
17.10
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.
3jte RESPONSE REGULATOR
RECEIVER PROTEIN

(Ruminiclostridium
thermocellum) 		PF00072
(Response_reg) 		3 ASP A  11
ASP A  10
ASN A  18
 None
 0.85A 4q5mA-3jteA:
undetectable		 4q5mA-3jteA:
23.85
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.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		3 ASP A  22
ASP A 465
ASN A  79
 CO  A 553 (-2.1A)
CO  A 553 (-2.3A)
None
 0.76A 4q5mA-3nvlA:
undetectable		 4q5mA-3nvlA:
17.24
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.
3pct CLASS C ACID
PHOSPHATASE

(Pasteurella
multocida) 		PF03767
(Acid_phosphat_B) 		3 ASP A 184
ASP A 180
ASN A  71
 None
 0.71A 4q5mA-3pctA:
undetectable		 4q5mA-3pctA:
18.15
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.
3psg PEPSINOGEN

(Sus scrofa) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		3 ASP A 215
ASP A  32
ASN A  37
 None
 0.68A 4q5mA-3psgA:
8.5		 4q5mA-3psgA:
20.78
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.
3q2w CADHERIN-2

(Mus musculus) 		PF00028
(Cadherin) 		3 ASP A 331
ASP A 366
ASN A 335
 CA  A 608 (-3.2A)
CA  A 608 ( 3.4A)
None
 0.75A 4q5mA-3q2wA:
undetectable		 4q5mA-3q2wA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		3 ASP A 502
ASP A 498
ASN A 491
 CA  A 526 (-2.9A)
CA  A 526 (-3.1A)
None
 0.82A 4q5mA-3q5iA:
undetectable		 4q5mA-3q5iA:
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.
3qc5 PLATELET BINDING
PROTEIN GSPB

(Streptococcus
gordonii) 		no annotation 3 ASP X 399
ASP X 427
ASN X 496
 K  X   1 (-2.1A)
K  X   1 ( 2.0A)
None
 0.82A 4q5mA-3qc5X:
undetectable		 4q5mA-3qc5X:
19.77
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.
3qs1 PLASMEPSIN-1

(Plasmodium
falciparum) 		PF00026
(Asp) 		3 ASP A 215
ASP A  32
ASN A  37
 006  A 330 (-2.8A)
006  A 330 (-2.8A)
None
 0.71A 4q5mA-3qs1A:
10.0		 4q5mA-3qs1A:
22.29
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		3 ASP A 216
ASP A 220
ASN A 231
 MN  A 413 (-2.6A)
FB6  A 414 ( 2.6A)
None
 0.83A 4q5mA-3sl1A:
undetectable		 4q5mA-3sl1A:
17.80
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.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		3 ASP A  74
ASP A  69
ASN A  66
 CA  A 354 ( 2.4A)
CA  A 355 ( 2.3A)
None
 0.83A 4q5mA-3ti7A:
undetectable		 4q5mA-3ti7A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w57 C2 DOMAIN PROTEIN

(Scophthalmus
maximus) 		PF00168
(C2) 		3 ASP A  35
ASP A  88
ASN A  59
 CA  A 201 ( 2.9A)
CA  A 201 ( 2.3A)
None
 0.85A 4q5mA-3w57A:
undetectable		 4q5mA-3w57A:
21.08
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.
4amt RENIN

(Homo sapiens) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		3 ASP A 269
ASP A  81
ASN A  86
 None
 0.59A 4q5mA-4amtA:
6.6		 4q5mA-4amtA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cyf PANTETHEINASE

(Homo sapiens) 		PF00795
(CN_hydrolase) 		3 ASP A  98
ASP A 141
ASN A 189
 None
 0.71A 4q5mA-4cyfA:
undetectable		 4q5mA-4cyfA:
17.59
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.
4dh2 CELLULOSOME
ANCHORING PROTEIN
COHESIN REGION
DOCKERIN TYPE 1

(Ruminiclostridium
thermocellum) 		PF00404
(Dockerin_1)
PF00963
(Cohesin) 		3 ASP B   9
ASP B  20
ASN A 140
 CA  B 101 (-3.3A)
CA  B 101 (-2.1A)
None
 0.74A 4q5mA-4dh2B:
undetectable		 4q5mA-4dh2B:
18.23
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.
4dni FUSION PROTEIN OF
RNA-EDITING COMPLEX
PROTEINS MP42 AND
MP18

(Trypanosoma
brucei) 		PF00436
(SSB) 		3 ASP A  82
ASP A  84
ASN A 161
 None
 0.77A 4q5mA-4dniA:
undetectable		 4q5mA-4dniA:
19.77
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.
4ehc PE-PGRS FAMILY
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 3 ASP A  36
ASP A 189
ASN A 194
 ZN  A 301 (-2.3A)
ZN  A 301 (-2.0A)
EDO  A 320 (-3.1A)
 0.79A 4q5mA-4ehcA:
11.2		 4q5mA-4ehcA:
22.67
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.
4g9i HYDROGENASE
MATURATION PROTEIN
HYPF

(Thermococcus
kodakarensis) 		PF00708
(Acylphosphatase)
PF00814
(Peptidase_M22)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		3 ASP A 509
ASP A 746
ASN A 427
 ZN  A1003 (-2.2A)
ZN  A1003 (-2.4A)
None
 0.74A 4q5mA-4g9iA:
undetectable		 4q5mA-4g9iA:
13.60
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.
4h3w HYPOTHETICAL PROTEIN

(Parabacteroides
distasonis) 		PF15414
(DUF4621) 		3 ASP A  90
ASP A 200
ASN A 206
 MLY  A  91 ( 4.2A)
MLY  A 202 ( 4.0A)
MLY  A 202 ( 3.4A)
 0.77A 4q5mA-4h3wA:
undetectable		 4q5mA-4h3wA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hxq ARGINASE-1

(Homo sapiens) 		PF00491
(Arginase) 		3 ASP A 124
ASP A 128
ASN A 139
 MN  A 903 (-2.5A)
MN  A 903 ( 2.6A)
None
 0.75A 4q5mA-4hxqA:
undetectable		 4q5mA-4hxqA:
24.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iu4 ARGINASE

(Leishmania
mexicana) 		PF00491
(Arginase) 		3 ASP A 137
ASP A 141
ASN A 152
 MN  A 401 (-2.6A)
MN  A 401 ( 2.5A)
None
 0.75A 4q5mA-4iu4A:
undetectable		 4q5mA-4iu4A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		3 ASP A 143
ASP A 147
ASN A 158
 MN  A 401 (-2.5A)
38I  A 406 ( 2.5A)
None
 0.82A 4q5mA-4ixuA:
undetectable		 4q5mA-4ixuA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jo0 CMLA

(Streptomyces
venezuelae) 		PF12706
(Lactamase_B_2) 		3 ASP A 309
ASP A 403
ASN A 459
 FE  A 602 (-2.2A)
FE  A 602 ( 2.6A)
None
 0.81A 4q5mA-4jo0A:
undetectable		 4q5mA-4jo0A:
16.23
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.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		3 ASP A 269
ASP A 258
ASN A 228
 MG  A 501 ( 2.5A)
MG  A 501 ( 2.0A)
None
 0.80A 4q5mA-4pv4A:
undetectable		 4q5mA-4pv4A:
19.72
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.
4q3r ARGINASE

(Schistosoma
mansoni) 		PF00491
(Arginase) 		3 ASP A 154
ASP A 158
ASN A 169
 MN  A 401 (-2.6A)
MN  A 401 ( 2.5A)
None
 0.76A 4q5mA-4q3rA:
undetectable		 4q5mA-4q3rA:
22.08
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		3 ASP A  32
ASP A 228
ASN A 233
 3LL  A 501 (-2.8A)
3LL  A 501 (-2.6A)
None
 0.57A 4q5mA-4rcdA:
9.3		 4q5mA-4rcdA:
19.76
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.
4rcd BETA-SECRETASE 1

(Homo sapiens) 		PF00026
(Asp) 		3 ASP A 228
ASP A  32
ASN A  37
 3LL  A 501 (-2.6A)
3LL  A 501 (-2.8A)
None
 0.62A 4q5mA-4rcdA:
9.3		 4q5mA-4rcdA:
19.76
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.
4rn7 N-ACETYLMURAMOYL-L-A
LANINE AMIDASE

(Clostridioides
difficile) 		PF01520
(Amidase_3) 		3 ASP A 143
ASP A 171
ASN A 128
 None
 0.75A 4q5mA-4rn7A:
undetectable		 4q5mA-4rn7A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rpa PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Staphylococcus
aureus) 		PF01368
(DHH)
PF02833
(DHHA2) 		3 ASP A 149
ASP A  75
ASN A  77
 MN  A 500 (-2.6A)
MN  A 500 ( 2.4A)
None
 0.82A 4q5mA-4rpaA:
undetectable		 4q5mA-4rpaA:
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.
4uaq PROTEIN TRANSLOCASE
SUBUNIT SECA 2

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		3 ASP A 224
ASP A 219
ASN A 540
 None
 0.80A 4q5mA-4uaqA:
undetectable		 4q5mA-4uaqA:
13.00
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.
4xj5 CYCLIC AMP-GMP
SYNTHASE

(Vibrio cholerae) 		no annotation 3 ASP A 133
ASP A 131
ASN A 121
 MG  A1001 ( 2.7A)
MG  A1002 (-2.0A)
None
 0.84A 4q5mA-4xj5A:
undetectable		 4q5mA-4xj5A:
19.38
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.
4xj6 VC0179-LIKE PROTEIN

(Escherichia
coli) 		no annotation 3 ASP A 131
ASP A 129
ASN A 119
 MG  A 501 ( 2.5A)
MG  A 502 (-2.2A)
None
 0.72A 4q5mA-4xj6A:
undetectable		 4q5mA-4xj6A:
16.63
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.
4xru PNKP1

(Capnocytophaga
gingivalis) 		PF13671
(AAA_33) 		3 ASP A 288
ASP A 287
ASN A 265
 MG  A 401 (-2.2A)
MG  A 401 ( 4.8A)
None
 0.80A 4q5mA-4xruA:
undetectable		 4q5mA-4xruA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yg8 CHITIN BIOSYNTHESIS
PROTEIN CHS6

(Saccharomyces
cerevisiae) 		PF09295
(ChAPs) 		3 ASP B 588
ASP B 592
ASN B 510
 None
 0.76A 4q5mA-4yg8B:
undetectable		 4q5mA-4yg8B:
14.15
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.
4zng PROLIDASE

(Lactococcus
lactis) 		no annotation 3 ASP C 221
ASP C 232
ASN C 324
 MN  C 401 (-2.2A)
MN  C 401 (-2.2A)
None
 0.83A 4q5mA-4zngC:
undetectable		 4q5mA-4zngC:
19.78
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.
5cde PROLINE DIPEPTIDASE

(Xanthomonas
campestris) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		3 ASP A 251
ASP A 262
ASN A 359
 ZN  A 402 (-2.0A)
ZN  A 402 ( 2.3A)
None
 0.82A 4q5mA-5cdeA:
undetectable		 4q5mA-5cdeA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eyy CENTROLOBIUM
TOMENTOSUM LECTIN

(Centrolobium
tomentosum) 		PF00139
(Lectin_legB) 		3 ASP A 131
ASP A 142
ASN A 137
 CA  A 302 ( 2.1A)
MN  A 303 ( 2.7A)
MDM  A 304 (-2.9A)
 0.83A 4q5mA-5eyyA:
undetectable		 4q5mA-5eyyA:
18.87
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.
5foe GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2,THROMBOSPONDIN-1

(Caenorhabditis
elegans;
Homo sapiens) 		PF00090
(TSP_1)
PF10250
(O-FucT) 		3 ASP A 259
ASP A 248
ASN A 241
 None
 0.54A 4q5mA-5foeA:
undetectable		 4q5mA-5foeA:
17.18
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.
5fqe BETA-N-ACETYLGALACTO
SAMINIDASE

(Clostridium
perfringens) 		PF13320
(DUF4091) 		3 ASP A  42
ASP A 512
ASN A 570
 None
None
BR  A1632 (-4.8A)
 0.85A 4q5mA-5fqeA:
undetectable		 4q5mA-5fqeA:
15.78
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.
5hj2 INTEGRIN ALPHA-2

(Homo sapiens) 		no annotation 3 ASP C 118
ASP C  15
ASN C  86
 CA  C 301 (-3.4A)
CA  C 301 ( 4.5A)
None
 0.74A 4q5mA-5hj2C:
undetectable		 4q5mA-5hj2C:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i70 PLASMEPSIN IV

(Plasmodium
falciparum) 		no annotation 3 ASP B 214
ASP B  34
ASN B  39
 None
 0.47A 4q5mA-5i70B:
10.1		 4q5mA-5i70B:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jqk PEPTIDASE, PUTATIVE

(Plasmodium
falciparum) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		3 ASP A 570
ASP A 581
ASN A 675
 MN  A 802 ( 1.9A)
MN  A 802 (-2.2A)
None
 0.69A 4q5mA-5jqkA:
undetectable		 4q5mA-5jqkA:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE

(Arabidopsis
thaliana) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		3 ASP A 275
ASP A  92
ASN A  85
 None
 0.74A 4q5mA-5ksdA:
undetectable		 4q5mA-5ksdA:
14.66
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.
5mkt RENIN-1

(Mus musculus) 		no annotation 3 ASP A 266
ASP A  81
ASN A  86
 None
 0.80A 4q5mA-5mktA:
9.1		 4q5mA-5mktA:
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.
5mlg RENIN

(Rattus
norvegicus) 		no annotation 3 ASP A 266
ASP A  81
ASN A  86
 None
 0.66A 4q5mA-5mlgA:
9.9		 4q5mA-5mlgA:
18.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n7q PUTATIVE CATHEPSIN D

(Ixodes ricinus) 		no annotation 3 ASP A 227
ASP A  36
ASN A  41
 None
 0.55A 4q5mA-5n7qA:
10.0		 4q5mA-5n7qA:
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.
5pep PEPSIN

(Sus scrofa) 		PF00026
(Asp) 		3 ASP A 215
ASP A  32
ASN A  37
 None
 0.51A 4q5mA-5pepA:
9.7		 4q5mA-5pepA:
20.56
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.
5t4m PROTOCADHERIN-15

(Homo sapiens) 		PF00028
(Cadherin) 		3 ASP A 516
ASP A 514
ASN A 575
 CA  A 704 ( 3.3A)
CA  A 705 (-2.1A)
None
 0.84A 4q5mA-5t4mA:
undetectable		 4q5mA-5t4mA:
21.59
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.
5u1c HIV-1 INTEGRASE,
SSO7D CHIMERA

(Human
immunodeficiency
virus 1;
Sulfolobus
solfataricus) 		PF00552
(IN_DBD_C)
PF00665
(rve)
PF02022
(Integrase_Zn) 		3 ASP A  64
ASP A 116
ASN A 144
 MG  A 501 (-1.8A)
MG  A 501 (-2.8A)
None
 0.68A 4q5mA-5u1cA:
undetectable		 4q5mA-5u1cA:
21.36
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.
5udy ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 7

(Homo sapiens) 		PF01663
(Phosphodiest) 		3 ASP A 187
ASP A 189
ASN A  31
 None
 0.68A 4q5mA-5udyA:
undetectable		 4q5mA-5udyA:
18.69
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.
5ux4 CATHEPSIN D

(Rattus
norvegicus) 		no annotation 3 ASP A 226
ASP A  33
ASN A  38
 3UT  A 404 (-2.4A)
3UT  A 404 (-2.9A)
None
 0.57A 4q5mA-5ux4A:
9.9		 4q5mA-5ux4A:
16.75
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.
5v8f ORIGIN RECOGNITION
COMPLEX SUBUNIT 2
ORIGIN RECOGNITION
COMPLEX SUBUNIT 3
ORIGIN RECOGNITION
COMPLEX SUBUNIT 5

(Saccharomyces
cerevisiae) 		PF04084
(ORC2)
PF13401
(AAA_22)
PF14630
(ORC5_C)
no annotation 		3 ASP C 111
ASP B 466
ASN E 423
 None
 0.65A 4q5mA-5v8fC:
undetectable		 4q5mA-5v8fC:
16.13
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.
5wkh T-CELL RECEPTOR
ALPHA VARIABLE
30,T-CELL RECEPTOR,
SP3.4 ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		3 ASP D 163
ASP D 161
ASN D 197
 None
 0.73A 4q5mA-5wkhD:
undetectable		 4q5mA-5wkhD:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wtl OMPA FAMILY PROTEIN

(Capnocytophaga
gingivalis) 		no annotation 3 ASP A 281
ASP A 283
ASN A 301
 CA  A1008 ( 2.8A)
CA  A1007 ( 2.7A)
None
 0.77A 4q5mA-5wtlA:
undetectable		 4q5mA-5wtlA:
15.27
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.
5wtl OMPA FAMILY PROTEIN

(Capnocytophaga
gingivalis) 		no annotation 3 ASP A 310
ASP A 312
ASN A 330
 CA  A1009 ( 2.8A)
CA  A1009 ( 2.7A)
None
 0.69A 4q5mA-5wtlA:
undetectable		 4q5mA-5wtlA:
15.27
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.
6bm8 ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		no annotation 3 ASP A 608
ASP A 579
ASN A 112
 None
 0.76A 4q5mA-6bm8A:
undetectable		 4q5mA-6bm8A:
16.26
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 3 ASP A 441
ASP A 637
ASN A 642
 B7E  A 901 (-2.9A)
B7E  A 901 (-2.6A)
None
 0.63A 4q5mA-6ej2A:
9.1		 4q5mA-6ej2A:
21.20
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 3 ASP A 637
ASP A 441
ASN A 446
 B7E  A 901 (-2.6A)
B7E  A 901 (-2.9A)
B7E  A 901 (-4.2A)
 0.50A 4q5mA-6ej2A:
9.1		 4q5mA-6ej2A:
21.20