SIMILAR PATTERNS OF AMINO ACIDS FOR 2AJV_L_COCL501_1

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.
1aog TRYPANOTHIONE
REDUCTASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ALA A 285
ARG A 288
TYR A 184
PHE A 204
 None
FAD  A 492 (-3.5A)
None
None
 1.19A 2ajvH-1aogA:
undetectable
2ajvL-1aogA:
undetectable		 2ajvH-1aogA:
18.79
2ajvL-1aogA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c3c PROTEIN
(ADENYLOSUCCINATE
LYASE)

(Thermotoga
maritima) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 ALA A 237
ARG A 241
TYR A   5
TYR A 322
 None
 1.07A 2ajvH-1c3cA:
undetectable
2ajvL-1c3cA:
undetectable		 2ajvH-1c3cA:
19.16
2ajvL-1c3cA:
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.
1d3y DNA TOPOISOMERASE VI
A SUBUNIT

(Methanocaldococcus
jannaschii) 		PF04406
(TP6A_N) 		4 ALA A 281
ARG A 282
TYR A 255
PHE A 318
 None
 1.13A 2ajvH-1d3yA:
undetectable
2ajvL-1d3yA:
undetectable		 2ajvH-1d3yA:
22.07
2ajvL-1d3yA:
20.27
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.
1h8s MUTANT AL2 6E7P9G

(Mus musculus) 		PF07686
(V-set) 		4 ALA A  37
TYR A  39
TYR A  97
PHE A 101
 None
None
AIC  A1000 (-4.8A)
None
 1.21A 2ajvH-1h8sA:
13.8
2ajvL-1h8sA:
20.0		 2ajvH-1h8sA:
24.14
2ajvL-1h8sA:
37.40
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.
1hbz CATALASE

(Micrococcus
luteus) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ARG A 120
TYR A 128
TYR A 205
TYR A 219
 None
 1.02A 2ajvH-1hbzA:
undetectable
2ajvL-1hbzA:
undetectable		 2ajvH-1hbzA:
17.43
2ajvL-1hbzA:
17.94
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.
1jqp DIPEPTIDYL PEPTIDASE
I

(Rattus
norvegicus) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		4 ALA A   4
TYR A  83
TYR A 234
PHE A  80
 None
 1.13A 2ajvH-1jqpA:
undetectable
2ajvL-1jqpA:
undetectable		 2ajvH-1jqpA:
19.09
2ajvL-1jqpA:
17.26
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.
1juh QUERCETIN
2,3-DIOXYGENASE

(Aspergillus
japonicus) 		no annotation 4 ALA A  25
TYR A  38
ARG A  36
TYR A  35
 None
None
None
EDO  A2028 (-4.6A)
 1.11A 2ajvH-1juhA:
undetectable
2ajvL-1juhA:
undetectable		 2ajvH-1juhA:
21.57
2ajvL-1juhA:
21.81
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.
1k3b DIPEPTYDIL-PEPTIDASE
I EXCLUSION DOMAIN
DIPEPTYDIL-PEPTIDASE
I LIGHT CHAIN

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		4 ALA A   4
TYR A  83
TYR B 235
PHE A  80
 None
 1.20A 2ajvH-1k3bA:
2.1
2ajvL-1k3bA:
undetectable		 2ajvH-1k3bA:
20.81
2ajvL-1k3bA:
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.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		4 ALA A  77
ARG A  80
TYR A  34
PHE A  43
 None
 1.21A 2ajvH-1kczA:
undetectable
2ajvL-1kczA:
undetectable		 2ajvH-1kczA:
19.37
2ajvL-1kczA:
19.85
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.
1q25 CATION-INDEPENDENT
MANNOSE 6-PHOSPHATE
RECEPTOR

(Bos taurus) 		PF00878
(CIMR) 		4 ALA A 360
TYR A 421
TYR A 327
PHE A 423
 None
 1.19A 2ajvH-1q25A:
undetectable
2ajvL-1q25A:
undetectable		 2ajvH-1q25A:
18.78
2ajvL-1q25A:
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.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ALA A 284
ARG A 287
TYR A 183
PHE A 203
 None
FAD  A 493 ( 3.5A)
None
None
 1.17A 2ajvH-1typA:
undetectable
2ajvL-1typA:
undetectable		 2ajvH-1typA:
18.07
2ajvL-1typA:
16.53
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.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3

(Thermoplasma
acidophilum) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 ALA A 231
TYR A 244
ARG A 241
TYR A 351
 None
 1.22A 2ajvH-1z1wA:
undetectable
2ajvL-1z1wA:
3.4		 2ajvH-1z1wA:
14.38
2ajvL-1z1wA:
13.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zan FAB AD11 HEAVY CHAIN
FAB AD11 LIGHT CHAIN

(Rattus
norvegicus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ALA L  34
TYR L  36
TYR H 100
TYR L  94
 None
 1.18A 2ajvH-1zanL:
14.9
2ajvL-1zanL:
26.1		 2ajvH-1zanL:
30.71
2ajvL-1zanL:
69.91
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.
2a9s COMPETENCE/DAMAGE-IN
DUCIBLE PROTEIN CINA

(Agrobacterium
fabrum) 		PF02464
(CinA) 		4 ALA A  98
ARG A  97
TYR A  94
PHE A  55
 None
 0.99A 2ajvH-2a9sA:
undetectable
2ajvL-2a9sA:
undetectable		 2ajvH-2a9sA:
21.74
2ajvL-2a9sA:
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.
2azk GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE

(Sulfolobus
solfataricus) 		PF00348
(polyprenyl_synt) 		4 ALA A  55
TYR A 257
TYR A  64
PHE A   6
 None
 1.15A 2ajvH-2azkA:
undetectable
2ajvL-2azkA:
undetectable		 2ajvH-2azkA:
23.05
2ajvL-2azkA:
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.
2b4g DIHYDROOROTATE
DEHYDROGENASE

(Trypanosoma
brucei) 		PF01180
(DHO_dh) 		4 ALA A 179
ARG A 240
TYR A 142
PHE A 144
 None
GOL  A1401 (-3.0A)
None
None
 1.10A 2ajvH-2b4gA:
undetectable
2ajvL-2b4gA:
undetectable		 2ajvH-2b4gA:
22.44
2ajvL-2b4gA:
22.43
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.
2bhm TYPE IV SECRETION
SYSTEM PROTEIN VIRB8

(Brucella suis) 		PF04335
(VirB8) 		4 ALA A 113
TYR A 110
ARG A 114
TYR A 126
 None
 1.03A 2ajvH-2bhmA:
undetectable
2ajvL-2bhmA:
undetectable		 2ajvH-2bhmA:
21.33
2ajvL-2bhmA:
22.27
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.
2c1l RESTRICTION
ENDONUCLEASE

(Bacillus firmus) 		PF13091
(PLDc_2) 		4 ALA A  69
TYR A 253
TYR A  47
PHE A 126
 None
 0.98A 2ajvH-2c1lA:
undetectable
2ajvL-2c1lA:
undetectable		 2ajvH-2c1lA:
20.71
2ajvL-2c1lA:
20.67
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.
2fct SYRINGOMYCIN
BIOSYNTHESIS ENZYME
2

(Pseudomonas
syringae) 		PF05721
(PhyH) 		4 ALA A  26
TYR A  27
ARG A  81
PHE A 148
 None
 0.91A 2ajvH-2fctA:
undetectable
2ajvL-2fctA:
undetectable		 2ajvH-2fctA:
19.22
2ajvL-2fctA:
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.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		4 ALA A 299
ARG A 119
TYR A 293
PHE A 163
 None
 1.07A 2ajvH-2i4nA:
undetectable
2ajvL-2i4nA:
undetectable		 2ajvH-2i4nA:
17.66
2ajvL-2i4nA:
17.47
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.
2j3m PROLYL-TRNA
SYNTHETASE

(Enterococcus
faecalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF04073
(tRNA_edit) 		4 ALA A 424
ARG A 119
TYR A 418
PHE A 163
 None
 1.15A 2ajvH-2j3mA:
undetectable
2ajvL-2j3mA:
2.0		 2ajvH-2j3mA:
14.81
2ajvL-2j3mA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1b AMINOTRANSFERASE,
CLASS I

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		4 ALA A 274
TYR A 229
TYR A  82
TYR A  78
 None
 1.12A 2ajvH-2o1bA:
undetectable
2ajvL-2o1bA:
undetectable		 2ajvH-2o1bA:
18.81
2ajvL-2o1bA:
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.
2pfm ADENYLOSUCCINATE
LYASE

(Bacillus
anthracis) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 ALA A 239
ARG A 243
TYR A   5
TYR A 324
 None
 1.09A 2ajvH-2pfmA:
undetectable
2ajvL-2pfmA:
undetectable		 2ajvH-2pfmA:
18.64
2ajvL-2pfmA:
17.12
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.
2q6t DNAB REPLICATION
FORK HELICASE

(Thermus
aquaticus) 		PF00772
(DnaB)
PF03796
(DnaB_C) 		4 ALA A 215
ARG A 247
TYR A 400
PHE A 430
 None
 1.09A 2ajvH-2q6tA:
undetectable
2ajvL-2q6tA:
undetectable		 2ajvH-2q6tA:
18.14
2ajvL-2q6tA:
18.28
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.
2qck FLAVIN REDUCTASE
DOMAIN PROTEIN

(Arthrobacter
sp. FB24) 		PF01613
(Flavin_Reduct) 		4 ALA A  57
ARG A  58
TYR A  30
TYR A  35
 None
PO4  A 167 (-4.4A)
None
None
 1.07A 2ajvH-2qckA:
undetectable
2ajvL-2qckA:
undetectable		 2ajvH-2qckA:
20.27
2ajvL-2qckA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qr4 PEPTIDASE M3B,
OLIGOENDOPEPTIDASE F

(Enterococcus
faecium) 		PF01432
(Peptidase_M3)
PF08439
(Peptidase_M3_N) 		4 TYR A 226
ARG A 514
TYR A 520
PHE A 175
 None
 1.17A 2ajvH-2qr4A:
undetectable
2ajvL-2qr4A:
undetectable		 2ajvH-2qr4A:
17.62
2ajvL-2qr4A:
17.79
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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		4 ALA A 208
TYR A 193
TYR A  59
PHE A 217
 None
SAM  A 304 (-4.2A)
None
None
 1.20A 2ajvH-2r3aA:
undetectable
2ajvL-2r3aA:
undetectable		 2ajvH-2r3aA:
19.40
2ajvL-2r3aA:
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.
2rf7 CYTOCHROME C-552

(Escherichia
coli) 		PF02335
(Cytochrom_C552) 		4 TYR A 184
ARG A 182
TYR A 267
PHE A 227
 None
HEC  A   3 ( 4.3A)
None
None
 1.21A 2ajvH-2rf7A:
undetectable
2ajvL-2rf7A:
undetectable		 2ajvH-2rf7A:
17.04
2ajvL-2rf7A:
18.31
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.
2x75 ADENYLOSUCCINATE
LYASE

(Staphylococcus
aureus) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 ALA A 237
ARG A 241
TYR A   5
TYR A 322
 None
None
AMP  A1433 (-4.5A)
None
 1.04A 2ajvH-2x75A:
undetectable
2ajvL-2x75A:
undetectable		 2ajvH-2x75A:
18.36
2ajvL-2x75A:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y9j PROTEIN PRGH

(Salmonella
enterica) 		PF09480
(PrgH) 		4 ALA A 286
TYR A 285
TYR A 245
PHE A 250
 None
 1.10A 2ajvH-2y9jA:
undetectable
2ajvL-2y9jA:
undetectable		 2ajvH-2y9jA:
23.53
2ajvL-2y9jA:
17.04
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.
3ce2 PUTATIVE PEPTIDASE

(Chlamydia
abortus) 		PF01432
(Peptidase_M3)
PF08439
(Peptidase_M3_N) 		4 ALA A 256
TYR A 261
TYR A 534
TYR A 279
 None
 1.05A 2ajvH-3ce2A:
undetectable
2ajvL-3ce2A:
undetectable		 2ajvH-3ce2A:
17.31
2ajvL-3ce2A:
16.84
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.
3fdh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2) 		4 ALA A 366
TYR A 241
ARG A 369
TYR A 179
 None
 1.14A 2ajvH-3fdhA:
undetectable
2ajvL-3fdhA:
undetectable		 2ajvH-3fdhA:
18.69
2ajvL-3fdhA:
18.55
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.
3gt5 N-ACETYLGLUCOSAMINE
2-EPIMERASE

(Xylella
fastidiosa) 		PF07221
(GlcNAc_2-epim) 		4 ALA A 192
TYR A 201
TYR A 129
TYR A 103
 None
 0.99A 2ajvH-3gt5A:
undetectable
2ajvL-3gt5A:
undetectable		 2ajvH-3gt5A:
17.34
2ajvL-3gt5A:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4e ISOCITRATE LYASE

(Burkholderia
pseudomallei) 		PF00463
(ICL) 		4 ALA A 275
TYR A 276
ARG A 272
TYR A 294
 None
 1.17A 2ajvH-3i4eA:
undetectable
2ajvL-3i4eA:
undetectable		 2ajvH-3i4eA:
18.97
2ajvL-3i4eA:
19.50
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.
3jys SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ALA A 422
TYR A 246
ARG A 425
TYR A 167
 None
 1.10A 2ajvH-3jysA:
undetectable
2ajvL-3jysA:
undetectable		 2ajvH-3jysA:
18.99
2ajvL-3jysA:
17.76
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.
3k6x SOLUTE-BINDING
PROTEIN MA_0280

(Methanosarcina
acetivorans) 		PF13531
(SBP_bac_11) 		4 ALA A 119
ARG A 120
TYR A 100
TYR A 115
 None
SO4  A 501 (-3.1A)
None
None
 1.12A 2ajvH-3k6xA:
undetectable
2ajvL-3k6xA:
undetectable		 2ajvH-3k6xA:
21.05
2ajvL-3k6xA:
20.41
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.
3ks2 CHAPERONE PROTEIN
IPGC

(Shigella
flexneri) 		PF07720
(TPR_3) 		4 ALA A  96
TYR A  93
TYR A  44
TYR A  40
 None
 1.18A 2ajvH-3ks2A:
undetectable
2ajvL-3ks2A:
undetectable		 2ajvH-3ks2A:
20.09
2ajvL-3ks2A:
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.
3ldu PUTATIVE METHYLASE

(Clostridioides
difficile) 		PF01170
(UPF0020)
PF02926
(THUMP) 		4 TYR A 186
ARG A  54
TYR A  27
TYR A  39
 None
 0.94A 2ajvH-3lduA:
undetectable
2ajvL-3lduA:
undetectable		 2ajvH-3lduA:
16.33
2ajvL-3lduA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 TYR A 290
TYR A 304
TYR A 294
PHE A 352
 None
 1.14A 2ajvH-3lewA:
undetectable
2ajvL-3lewA:
undetectable		 2ajvH-3lewA:
15.72
2ajvL-3lewA:
18.18
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.
3mhu DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
major) 		PF01180
(DHO_dh) 		4 ALA A 179
ARG A 240
TYR A 142
PHE A 144
 None
 1.07A 2ajvH-3mhuA:
undetectable
2ajvL-3mhuA:
undetectable		 2ajvH-3mhuA:
19.49
2ajvL-3mhuA:
20.57
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.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		4 ALA A 370
ARG A 403
TYR A 422
TYR A 421
 None
 1.20A 2ajvH-3nqxA:
undetectable
2ajvL-3nqxA:
undetectable		 2ajvH-3nqxA:
21.45
2ajvL-3nqxA:
18.01
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.
3oix DIHYDROOROTATE
OXIDASE
PUTATIVE
DIHYDROOROTATE
DEHYDROGENASE

(Streptococcus
mutans) 		PF01180
(DHO_dh) 		4 ALA A 179
ARG A 237
TYR A 142
PHE A 144
 None
None
GOL  A 500 (-3.6A)
GOL  A 500 (-4.1A)
 1.16A 2ajvH-3oixA:
undetectable
2ajvL-3oixA:
undetectable		 2ajvH-3oixA:
21.05
2ajvL-3oixA:
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.
3p94 GDSL-LIKE LIPASE

(Parabacteroides
distasonis) 		PF13472
(Lipase_GDSL_2) 		4 ALA A  62
TYR A 211
TYR A  35
PHE A  67
 None
 1.21A 2ajvH-3p94A:
undetectable
2ajvL-3p94A:
undetectable		 2ajvH-3p94A:
20.34
2ajvL-3p94A:
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.
3pdf DIPEPTIDYL PEPTIDASE
1

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		4 ALA A   4
TYR A  83
TYR A 235
PHE A  80
 None
 1.16A 2ajvH-3pdfA:
undetectable
2ajvL-3pdfA:
undetectable		 2ajvH-3pdfA:
17.94
2ajvL-3pdfA:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pwv MHC CLASS I ANTIGEN

(Bos taurus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 ARG A  64
TYR A  66
TYR A   6
TYR A   8
 None
 1.17A 2ajvH-3pwvA:
12.1
2ajvL-3pwvA:
12.8		 2ajvH-3pwvA:
22.03
2ajvL-3pwvA:
22.46
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.
3r5x D-ALANINE--D-ALANINE
LIGASE

(Bacillus
anthracis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 ALA A 199
TYR A 208
ARG A 196
TYR A 204
 None
 1.17A 2ajvH-3r5xA:
undetectable
2ajvL-3r5xA:
undetectable		 2ajvH-3r5xA:
19.61
2ajvL-3r5xA:
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.
3sgi DNA LIGASE

(Mycobacterium
tuberculosis) 		PF01653
(DNA_ligase_aden)
PF03120
(DNA_ligase_OB) 		4 ALA A 258
TYR A 173
TYR A 253
PHE A 244
 None
 1.06A 2ajvH-3sgiA:
2.3
2ajvL-3sgiA:
undetectable		 2ajvH-3sgiA:
16.53
2ajvL-3sgiA:
15.96
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.
3vsz RICIN B LECTIN

(Ruminiclostridium
thermocellum) 		PF04616
(Glyco_hydro_43)
PF14200
(RicinB_lectin_2) 		4 TYR A 259
TYR A 271
TYR A 257
PHE A 223
 None
 1.18A 2ajvH-3vszA:
undetectable
2ajvL-3vszA:
undetectable		 2ajvH-3vszA:
17.69
2ajvL-3vszA:
18.30
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.
4akz TYPE IV SECRETION
SYSTEM PROTEIN VIRB8

(Brucella suis) 		PF04335
(VirB8) 		4 ALA A 113
TYR A 110
ARG A 114
TYR A 126
 None
 1.01A 2ajvH-4akzA:
undetectable
2ajvL-4akzA:
undetectable		 2ajvH-4akzA:
21.82
2ajvL-4akzA:
22.94
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ALA A1495
TYR A1206
TYR A1202
PHE A1447
 None
 1.05A 2ajvH-4amcA:
undetectable
2ajvL-4amcA:
undetectable		 2ajvH-4amcA:
11.62
2ajvL-4amcA:
11.90
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.
4at0 3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E

(Rhodococcus
jostii) 		PF00890
(FAD_binding_2) 		4 ALA A  61
TYR A 182
TYR A  29
TYR A 201
 None
 1.08A 2ajvH-4at0A:
undetectable
2ajvL-4at0A:
undetectable		 2ajvH-4at0A:
18.89
2ajvL-4at0A:
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ALA A1146
TYR A1170
TYR A1155
PHE A1412
 None
 1.12A 2ajvH-4aygA:
undetectable
2ajvL-4aygA:
undetectable		 2ajvH-4aygA:
12.79
2ajvL-4aygA:
11.37
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ALA A1393
TYR A1394
TYR A1046
TYR A1041
 None
 1.03A 2ajvH-4aygA:
undetectable
2ajvL-4aygA:
undetectable		 2ajvH-4aygA:
12.79
2ajvL-4aygA:
11.37
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ALA A1490
TYR A1209
TYR A1205
PHE A1442
 None
 1.08A 2ajvH-4aygA:
undetectable
2ajvL-4aygA:
undetectable		 2ajvH-4aygA:
12.79
2ajvL-4aygA:
11.37
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.
4buc UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Thermotoga
maritima) 		PF08245
(Mur_ligase_M) 		4 ALA A 406
TYR A 316
TYR A 326
PHE A 438
 None
 1.01A 2ajvH-4bucA:
undetectable
2ajvL-4bucA:
undetectable		 2ajvH-4bucA:
19.70
2ajvL-4bucA:
19.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bz2 FAB 2D73 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ARG H  98
TYR H 101
TYR H  54
TYR H  52
 None
 0.86A 2ajvH-4bz2H:
23.2
2ajvL-4bz2H:
15.6		 2ajvH-4bz2H:
63.06
2ajvL-4bz2H:
26.61
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.
4g1i PROTEIN PRGH

(Salmonella
enterica) 		PF09480
(PrgH) 		4 ALA A 286
TYR A 285
TYR A 245
PHE A 250
 None
 1.12A 2ajvH-4g1iA:
undetectable
2ajvL-4g1iA:
undetectable		 2ajvH-4g1iA:
22.05
2ajvL-4g1iA:
19.09
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.
4hkt INOSITOL
2-DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ALA A 231
TYR A 233
ARG A 151
TYR A 279
 None
 1.19A 2ajvH-4hktA:
undetectable
2ajvL-4hktA:
undetectable		 2ajvH-4hktA:
19.05
2ajvL-4hktA:
19.63
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.
4jjh POLIOVIRUS
RECEPTOR-RELATED
PROTEIN 4

(Homo sapiens) 		PF07686
(V-set) 		4 ALA A 139
ARG A 140
TYR A 125
TYR A  94
 None
 1.21A 2ajvH-4jjhA:
11.0
2ajvL-4jjhA:
4.6		 2ajvH-4jjhA:
19.28
2ajvL-4jjhA:
18.72
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.
4kpt GLUTAMINE ABC
TRANSPORTER PERMEASE
AND SUBSTRATE
BINDING PROTEIN
PROTEIN

(Lactococcus
lactis) 		PF00497
(SBP_bac_3) 		4 ALA A 214
TYR A 211
TYR A  38
PHE A  76
 None
None
MES  A 301 (-3.8A)
MES  A 301 ( 3.7A)
 0.92A 2ajvH-4kptA:
undetectable
2ajvL-4kptA:
undetectable		 2ajvH-4kptA:
23.05
2ajvL-4kptA:
18.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m5y FAB 5J8 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ALA H  93
ARG H  94
TYR H 100
TYR H  58
 None
 1.22A 2ajvH-4m5yH:
27.8
2ajvL-4m5yH:
14.1		 2ajvH-4m5yH:
62.07
2ajvL-4m5yH:
29.75
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.
4oem DIPEPTIDYL PEPTIDASE
1 HEAVY CHAIN

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08773
(CathepsinC_exc) 		4 ALA A   4
TYR A  83
TYR A 235
PHE A  80
 None
 1.17A 2ajvH-4oemA:
undetectable
2ajvL-4oemA:
undetectable		 2ajvH-4oemA:
20.21
2ajvL-4oemA:
18.92
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.
4pka PATATIN-17

(Solanum
cardiophyllum) 		PF01734
(Patatin) 		4 ALA X 190
TYR X 193
TYR X 106
PHE X 114
 MIS  X  77 ( 3.5A)
MIS  X  77 ( 4.9A)
None
None
 0.98A 2ajvH-4pkaX:
undetectable
2ajvL-4pkaX:
undetectable		 2ajvH-4pkaX:
21.51
2ajvL-4pkaX:
19.74
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.
4pql TRUNCATED
REPLICATION PROTEIN
REPA

(Staphylococcus
aureus) 		PF06970
(RepA_N) 		4 ALA A  41
TYR A  40
ARG A  44
TYR A  66
 EDO  A 203 (-3.8A)
None
EDO  A 203 (-4.2A)
None
 1.01A 2ajvH-4pqlA:
undetectable
2ajvL-4pqlA:
undetectable		 2ajvH-4pqlA:
15.32
2ajvL-4pqlA:
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.
4pta REPLICATION
INITIATOR PROTEIN

(Staphylococcus
aureus) 		PF06970
(RepA_N) 		4 ALA D  41
TYR D  40
ARG D  44
TYR D  66
 None
 1.05A 2ajvH-4ptaD:
undetectable
2ajvL-4ptaD:
undetectable		 2ajvH-4ptaD:
15.84
2ajvL-4ptaD:
19.44
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 ALA A 197
TYR A 200
ARG A 196
TYR A 428
 None
 1.02A 2ajvH-4r1dA:
undetectable
2ajvL-4r1dA:
undetectable		 2ajvH-4r1dA:
16.58
2ajvL-4r1dA:
15.99
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.
4rm7 ACYL-COA
DEHYDROGENASE

(Slackia
heliotrinireducens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A   0
ARG A 296
TYR A   2
PHE A  68
 None
 1.19A 2ajvH-4rm7A:
undetectable
2ajvL-4rm7A:
undetectable		 2ajvH-4rm7A:
18.43
2ajvL-4rm7A:
20.80
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.
4rm7 ACYL-COA
DEHYDROGENASE

(Slackia
heliotrinireducens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A   0
TYR A 300
ARG A 296
TYR A   2
 None
 1.01A 2ajvH-4rm7A:
undetectable
2ajvL-4rm7A:
undetectable		 2ajvH-4rm7A:
18.43
2ajvL-4rm7A:
20.80
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		4 ALA A 444
TYR A 448
TYR A 397
TYR A 159
 None
None
CS  A 812 (-4.4A)
None
 1.17A 2ajvH-4txgA:
2.1
2ajvL-4txgA:
2.3		 2ajvH-4txgA:
14.16
2ajvL-4txgA:
13.25
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.
4v1r ALPHA-1,6-MANNANASE

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		4 ALA A 155
TYR A 164
TYR A  91
TYR A  69
 None
 1.10A 2ajvH-4v1rA:
undetectable
2ajvL-4v1rA:
undetectable		 2ajvH-4v1rA:
20.50
2ajvL-4v1rA:
22.47
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.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 ALA A 344
TYR A 340
TYR A 404
TYR A 409
 None
 1.06A 2ajvH-4wz9A:
2.2
2ajvL-4wz9A:
2.0		 2ajvH-4wz9A:
13.38
2ajvL-4wz9A:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 ALA A 403
TYR A 404
TYR A 368
TYR A 340
 None
 1.12A 2ajvH-4wz9A:
2.2
2ajvL-4wz9A:
2.0		 2ajvH-4wz9A:
13.38
2ajvL-4wz9A:
12.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzh DIHYDROOROTATE
DEHYDROGENASE

(Leishmania
braziliensis) 		PF01180
(DHO_dh) 		4 ALA A 179
ARG A 240
TYR A 142
PHE A 144
 None
 1.01A 2ajvH-4wzhA:
undetectable
2ajvL-4wzhA:
undetectable		 2ajvH-4wzhA:
19.03
2ajvL-4wzhA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xia D-XYLOSE ISOMERASE

(Arthrobacter
sp. NRRL B3728) 		PF01261
(AP_endonuc_2) 		4 ALA A 130
TYR A 173
TYR A 167
PHE A 133
 None
 1.17A 2ajvH-4xiaA:
undetectable
2ajvL-4xiaA:
undetectable		 2ajvH-4xiaA:
21.27
2ajvL-4xiaA:
18.41
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.
4yqx JES6-1 VH DOMAIN
JES6-1 VL DOMAIN

(Rattus
norvegicus) 		PF07686
(V-set) 		4 ALA L  43
TYR L  45
TYR H 109
PHE L 107
 None
 1.18A 2ajvH-4yqxL:
14.5
2ajvL-4yqxL:
21.1		 2ajvH-4yqxL:
21.03
2ajvL-4yqxL:
60.17
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.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		4 ALA A 494
TYR A 232
TYR A 601
PHE A 139
 None
 1.10A 2ajvH-5aeeA:
undetectable
2ajvL-5aeeA:
undetectable		 2ajvH-5aeeA:
13.79
2ajvL-5aeeA:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aex AMMONIUM TRANSPORTER
MEP2

(Saccharomyces
cerevisiae) 		PF00909
(Ammonium_transp) 		4 ALA A 133
TYR A 165
TYR A 128
PHE A  89
 None
 1.19A 2ajvH-5aexA:
undetectable
2ajvL-5aexA:
undetectable		 2ajvH-5aexA:
19.09
2ajvL-5aexA:
15.67
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.
5crv TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 23

(Homo sapiens) 		PF03097
(BRO1) 		4 ALA A  55
TYR A  71
ARG A  52
TYR A 119
 None
 1.16A 2ajvH-5crvA:
undetectable
2ajvL-5crvA:
undetectable		 2ajvH-5crvA:
19.48
2ajvL-5crvA:
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.
5dcz TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		4 ALA A1135
ARG A 980
TYR A1050
TYR A1060
 None
PO4  A1202 (-4.9A)
59B  A1203 ( 4.3A)
59B  A1203 (-4.3A)
 1.20A 2ajvH-5dczA:
undetectable
2ajvL-5dczA:
undetectable		 2ajvH-5dczA:
21.54
2ajvL-5dczA:
19.62
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.
5eco GLUTATHIONE
S-TRANSFERASE U20

(Arabidopsis
thaliana) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 ALA B 166
TYR B 167
TYR B 208
TYR B  10
 None
 1.06A 2ajvH-5ecoB:
undetectable
2ajvL-5ecoB:
undetectable		 2ajvH-5ecoB:
19.42
2ajvL-5ecoB:
20.39
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.
5gha SULFUR TRANSFERASE
TTUA

(Thermus
thermophilus) 		PF01171
(ATP_bind_3) 		4 ALA A  37
ARG A  36
TYR A 209
PHE A 201
 None
 1.08A 2ajvH-5ghaA:
undetectable
2ajvL-5ghaA:
undetectable		 2ajvH-5ghaA:
18.87
2ajvL-5ghaA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hy5 TRYPTOPHAN
6-HALOGENASE

(Streptomyces
toxytricini) 		PF04820
(Trp_halogenase) 		4 ALA A 175
TYR A 176
ARG A  57
TYR A  24
 None
 1.10A 2ajvH-5hy5A:
undetectable
2ajvL-5hy5A:
undetectable		 2ajvH-5hy5A:
18.09
2ajvL-5hy5A:
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.
5i1t STAGE II SPORULATION
PROTEIN D

(Clostridioides
difficile) 		PF08486
(SpoIID) 		4 ALA A 117
TYR A 194
TYR A 124
TYR A 213
 None
CTO  A 404 (-3.5A)
None
CTO  A 404 (-4.6A)
 1.18A 2ajvH-5i1tA:
undetectable
2ajvL-5i1tA:
undetectable		 2ajvH-5i1tA:
21.35
2ajvL-5i1tA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijw GLUTAMATE RACEMASE

(Mycolicibacterium
smegmatis) 		PF01177
(Asp_Glu_race) 		4 ALA A  86
TYR A  90
ARG A  89
PHE A  11
 None
 1.10A 2ajvH-5ijwA:
undetectable
2ajvL-5ijwA:
undetectable		 2ajvH-5ijwA:
21.99
2ajvL-5ijwA:
21.07
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.
5kzl HEME OXYGENASE

(Leptospira
interrogans) 		PF01126
(Heme_oxygenase) 		4 ALA A 173
TYR A 170
TYR A  68
PHE A 166
 None
 1.14A 2ajvH-5kzlA:
undetectable
2ajvL-5kzlA:
undetectable		 2ajvH-5kzlA:
20.94
2ajvL-5kzlA:
19.74
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.
5la7 HEPARANASE

(Homo sapiens) 		PF03662
(Glyco_hydro_79n) 		4 ALA A 177
TYR A 174
TYR A  91
TYR A 264
 EDO  A 610 ( 4.0A)
EDO  A 610 (-4.2A)
None
None
 1.09A 2ajvH-5la7A:
undetectable
2ajvL-5la7A:
undetectable		 2ajvH-5la7A:
19.61
2ajvL-5la7A:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m4a NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 4 TYR A 296
ARG A 199
TYR A 351
TYR A 352
 None
None
None
TRE  A 801 (-4.8A)
 1.18A 2ajvH-5m4aA:
undetectable
2ajvL-5m4aA:
undetectable		 2ajvH-5m4aA:
17.29
2ajvL-5m4aA:
16.30
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.
5o5j 30S RIBOSOMAL
PROTEIN S4

(Mycolicibacterium
smegmatis) 		PF00163
(Ribosomal_S4)
PF01479
(S4) 		4 ALA D  74
TYR D  71
TYR D  60
PHE D  67
 None
 1.07A 2ajvH-5o5jD:
undetectable
2ajvL-5o5jD:
undetectable		 2ajvH-5o5jD:
20.08
2ajvL-5o5jD:
21.12
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.
5o7e COLH PROTEIN

(Hathewaya
histolytica) 		no annotation 4 ALA A 636
TYR A 684
TYR A 689
PHE A 713
 None
 1.06A 2ajvH-5o7eA:
undetectable
2ajvL-5o7eA:
2.3		 2ajvH-5o7eA:
17.92
2ajvL-5o7eA:
14.35
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.
5sui RIBOSOME BIOGENESIS
PROTEIN NSA1

(Saccharomyces
cerevisiae) 		no annotation 4 ALA A  66
ARG A  54
TYR A  51
PHE A 123
 None
 1.08A 2ajvH-5suiA:
undetectable
2ajvL-5suiA:
undetectable		 2ajvH-5suiA:
19.43
2ajvL-5suiA:
17.87
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.
5tcp PROTEIN PRGH

(Salmonella
enterica) 		PF09480
(PrgH) 		4 ALA 1 286
TYR 1 285
TYR 1 245
PHE 1 250
 None
 1.18A 2ajvH-5tcp1:
undetectable
2ajvL-5tcp1:
undetectable		 2ajvH-5tcp1:
21.38
2ajvL-5tcp1:
19.10
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.
5ukh UNCHARACTERIZED
PROTEIN

(Streptococcus
intermedius) 		no annotation 4 ALA A 243
TYR A 236
TYR A 483
PHE A 228
 None
 1.15A 2ajvH-5ukhA:
undetectable
2ajvL-5ukhA:
undetectable		 2ajvH-5ukhA:
21.51
2ajvL-5ukhA:
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.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		4 ALA A1189
TYR A1173
ARG A1190
PHE A1198
 None
SAM  A3001 (-4.0A)
None
None
 1.18A 2ajvH-5vsdA:
undetectable
2ajvL-5vsdA:
undetectable		 2ajvH-5vsdA:
15.33
2ajvL-5vsdA:
22.18
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.
5x32 N-ACYLGLUCOSAMINE
2-EPIMERASE

(Marinomonas
mediterranea) 		no annotation 4 ALA A 186
TYR A 195
TYR A 122
TYR A  96
 None
 0.94A 2ajvH-5x32A:
undetectable
2ajvL-5x32A:
undetectable		 2ajvH-5x32A:
14.55
2ajvL-5x32A:
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.
5x5y UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF03739
(YjgP_YjgQ) 		4 ALA G 161
TYR G 169
TYR G 255
TYR G 252
 None
 1.18A 2ajvH-5x5yG:
undetectable
2ajvL-5x5yG:
undetectable		 2ajvH-5x5yG:
18.94
2ajvL-5x5yG:
20.22
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.
5x8t 50S RIBOSOMAL
PROTEIN L14,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00238
(Ribosomal_L14) 		4 ALA L  33
TYR L  32
ARG L  34
TYR L  79
 None
G  A2745 ( 4.0A)
G  A2690 ( 3.2A)
None
 1.18A 2ajvH-5x8tL:
undetectable
2ajvL-5x8tL:
undetectable		 2ajvH-5x8tL:
18.92
2ajvL-5x8tL:
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.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 4 ALA A1686
TYR A1692
TYR A  83
PHE A1666
 None
 1.21A 2ajvH-5zalA:
undetectable
2ajvL-5zalA:
undetectable		 2ajvH-5zalA:
19.34
2ajvL-5zalA:
17.89
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.
6aun PLA2G6, IPLA2BETA

(Cricetulus
griseus) 		no annotation 4 ALA A 586
TYR A 589
TYR A 487
PHE A 495
 None
 1.16A 2ajvH-6aunA:
undetectable
2ajvL-6aunA:
undetectable		 2ajvH-6aunA:
15.53
2ajvL-6aunA:
15.74
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.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 4 ALA A 341
TYR A 289
TYR A 320
PHE A 295
 None
 1.16A 2ajvH-6c01A:
undetectable
2ajvL-6c01A:
undetectable		 2ajvH-6c01A:
17.88
2ajvL-6c01A:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ewp CENTROSOMAL PROTEIN
OF 120 KDA

(Mus musculus) 		no annotation 4 TYR A 483
TYR A 601
TYR A 580
PHE A 459
 None
 1.18A 2ajvH-6ewpA:
2.0
2ajvL-6ewpA:
undetectable		 2ajvH-6ewpA:
16.59
2ajvL-6ewpA:
18.09