SIMILAR PATTERNS OF AMINO ACIDS FOR 3UFN_A_ROCA402_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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ARG A 389
LEU A 391
VAL A 366
ASP A 382
 None
 1.13A 3ufnA-1e5mA:
0.0
3ufnB-1e5mA:
0.0		 3ufnA-1e5mA:
12.14
3ufnB-1e5mA:
12.14
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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II

(Synechocystis
sp. PCC 6803) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 LEU A 391
PRO A 367
VAL A 366
ASP A 382
 None
 1.06A 3ufnA-1e5mA:
0.0
3ufnB-1e5mA:
0.0		 3ufnA-1e5mA:
12.14
3ufnB-1e5mA:
12.14
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.
1fk8 3ALPHA-HYDROXYSTEROI
D
DEHYDROGENASE/CARBON
YL REDUCTASE

(Comamonas
testosteroni) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		4 ARG A 169
LEU A 180
VAL A 111
ASP A  95
 None
 0.84A 3ufnA-1fk8A:
undetectable
3ufnB-1fk8A:
0.0		 3ufnA-1fk8A:
16.34
3ufnB-1fk8A:
16.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
PRO A  81
VAL A  82
ASP A  29
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-2.7A)
 0.80A 3ufnA-1hvcA:
12.6
3ufnB-1hvcA:
13.2		 3ufnA-1hvcA:
38.92
3ufnB-1hvcA:
38.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
PRO A  81
VAL A  82
ASP A  29
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-2.8A)
 0.61A 3ufnA-1hvcA:
12.6
3ufnB-1hvcA:
13.2		 3ufnA-1hvcA:
38.92
3ufnB-1hvcA:
38.92
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.
1i7q ANTHRANILATE
SYNTHASE

(Serratia
marcescens) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		4 ARG A 101
LEU A 103
VAL A  70
ASP A  85
 None
 1.12A 3ufnA-1i7qA:
0.0
3ufnB-1i7qA:
undetectable		 3ufnA-1i7qA:
12.40
3ufnB-1i7qA:
12.40
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.
1jsx GLUCOSE-INHIBITED
DIVISION PROTEIN B

(Escherichia
coli) 		PF02527
(GidB) 		4 ARG A 197
LEU A 188
VAL A 190
ASP A  56
 None
 1.18A 3ufnA-1jsxA:
0.0
3ufnB-1jsxA:
0.0		 3ufnA-1jsxA:
17.62
3ufnB-1jsxA:
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.
1m33 BIOH PROTEIN

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		4 ARG A 189
LEU A 218
PRO A 211
VAL A 214
 None
 1.11A 3ufnA-1m33A:
0.0
3ufnB-1m33A:
0.0		 3ufnA-1m33A:
15.97
3ufnB-1m33A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE

(Salvia
officinalis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ARG A 493
LEU A 445
PRO A 439
ASP A 497
 3AG  A 900 (-2.5A)
None
None
None
 1.18A 3ufnA-1n21A:
undetectable
3ufnB-1n21A:
undetectable		 3ufnA-1n21A:
9.32
3ufnB-1n21A:
9.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nba N-CARBAMOYLSARCOSINE
AMIDOHYDROLASE

(Arthrobacter
sp.) 		PF00857
(Isochorismatase) 		4 LEU A 234
PRO A  88
VAL A  87
ASP A 165
 None
 1.18A 3ufnA-1nbaA:
0.0
3ufnB-1nbaA:
0.0		 3ufnA-1nbaA:
16.82
3ufnB-1nbaA:
16.82
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.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT

(Pseudomonas
putida) 		PF00676
(E1_dh)
PF12573
(OxoDH_E1alpha_N) 		4 ARG A 295
LEU A 297
PRO A  39
VAL A  40
 None
 1.14A 3ufnA-1qs0A:
0.0
3ufnB-1qs0A:
0.0		 3ufnA-1qs0A:
14.93
3ufnB-1qs0A:
14.93
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.
1v1p EXOTOXIN 1

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		4 ARG A 150
LEU A 153
VAL A 206
ASP A 146
 None
 1.08A 3ufnA-1v1pA:
0.0
3ufnB-1v1pA:
0.0		 3ufnA-1v1pA:
18.40
3ufnB-1v1pA:
18.40
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.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG

(Bacillus
subtilis) 		PF05343
(Peptidase_M42) 		4 ARG A 276
LEU A 315
PRO A 313
ASP A 277
 None
 0.96A 3ufnA-1vheA:
undetectable
3ufnB-1vheA:
undetectable		 3ufnA-1vheA:
15.14
3ufnB-1vheA:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wx4 TYROSINASE

(Streptomyces
castaneoglobisporus) 		PF00264
(Tyrosinase) 		4 ARG A 178
LEU A  60
PRO A 259
ASP A 166
 None
 1.14A 3ufnA-1wx4A:
undetectable
3ufnB-1wx4A:
undetectable		 3ufnA-1wx4A:
16.24
3ufnB-1wx4A:
16.24
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.
1zup HYPOTHETICAL PROTEIN
TM1739

(Thermotoga
maritima) 		PF09376
(NurA) 		4 ARG A  52
LEU A  71
VAL A  99
ASP A 133
 None
 1.02A 3ufnA-1zupA:
undetectable
3ufnB-1zupA:
undetectable		 3ufnA-1zupA:
16.55
3ufnB-1zupA:
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.
1zvu TOPOISOMERASE IV
SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV)
PF03989
(DNA_gyraseA_C) 		4 ARG A 444
LEU A 366
VAL A 369
ASP A 445
 None
 0.90A 3ufnA-1zvuA:
undetectable
3ufnB-1zvuA:
undetectable		 3ufnA-1zvuA:
11.06
3ufnB-1zvuA:
11.06
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.
2bra NEDD9 INTERACTING
PROTEIN WITH
CALPONIN HOMOLOGY
AND LIM DOMAINS

(Mus musculus) 		PF01494
(FAD_binding_3) 		4 ARG A  98
LEU A 164
VAL A 167
ASP A 134
 None
 0.80A 3ufnA-2braA:
undetectable
3ufnB-2braA:
undetectable		 3ufnA-2braA:
10.50
3ufnB-2braA:
10.50
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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA

(Escherichia
coli) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		4 ARG A1123
LEU A1127
VAL A1118
ASP A1352
 None
 1.13A 3ufnA-2bruA:
undetectable
3ufnB-2bruA:
undetectable		 3ufnA-2bruA:
15.96
3ufnB-2bruA:
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.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		4 ARG A 105
LEU A 111
PRO A  77
VAL A  78
 None
 1.07A 3ufnA-2dc0A:
undetectable
3ufnB-2dc0A:
undetectable		 3ufnA-2dc0A:
11.57
3ufnB-2dc0A:
11.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e7a TUMOR NECROSIS
FACTOR

(Homo sapiens) 		PF00229
(TNF) 		4 ARG A  82
LEU A 132
PRO A  51
VAL A  50
 None
 1.12A 3ufnA-2e7aA:
undetectable
3ufnB-2e7aA:
undetectable		 3ufnA-2e7aA:
18.67
3ufnB-2e7aA:
18.67
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.
2ece 462AA LONG
HYPOTHETICAL
SELENIUM-BINDING
PROTEIN

(Sulfurisphaera
tokodaii) 		PF05694
(SBP56) 		4 ARG A 370
LEU A 305
PRO A 320
VAL A 319
 None
 1.12A 3ufnA-2eceA:
undetectable
3ufnB-2eceA:
undetectable		 3ufnA-2eceA:
12.10
3ufnB-2eceA:
12.10
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.
2gd9 HYPOTHETICAL PROTEIN
YYAP

(Bacillus
subtilis) 		PF01872
(RibD_C) 		4 LEU A 151
PRO A 148
VAL A 149
ASP A  30
 None
 0.77A 3ufnA-2gd9A:
undetectable
3ufnB-2gd9A:
undetectable		 3ufnA-2gd9A:
19.37
3ufnB-2gd9A:
19.37
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.
2i1j MOESIN

(Spodoptera
frugiperda) 		PF00373
(FERM_M)
PF00769
(ERM)
PF09379
(FERM_N)
PF09380
(FERM_C) 		4 LEU A 557
PRO A 502
VAL A 503
ASP A 221
 None
 1.09A 3ufnA-2i1jA:
undetectable
3ufnB-2i1jA:
undetectable		 3ufnA-2i1jA:
9.76
3ufnB-2i1jA:
9.76
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.
2o8r POLYPHOSPHATE KINASE

(Porphyromonas
gingivalis) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		4 LEU A 162
PRO A 183
VAL A 182
ASP A 209
 None
 0.95A 3ufnA-2o8rA:
undetectable
3ufnB-2o8rA:
undetectable		 3ufnA-2o8rA:
8.98
3ufnB-2o8rA:
8.98
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.
2pet LUTHERAN BLOOD GROUP
GLYCOPROTEIN

(Homo sapiens) 		PF07686
(V-set)
PF08205
(C2-set_2) 		4 ARG A 200
LEU A 229
VAL A 130
ASP A 201
 None
 1.04A 3ufnA-2petA:
undetectable
3ufnB-2petA:
undetectable		 3ufnA-2petA:
15.95
3ufnB-2petA:
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.
2q5o PHENYLPYRUVATE
DECARBOXYLASE

(Azospirillum
brasilense) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ARG A  14
LEU A  65
VAL A  94
ASP A 178
 None
 1.00A 3ufnA-2q5oA:
undetectable
3ufnB-2q5oA:
undetectable		 3ufnA-2q5oA:
10.99
3ufnB-2q5oA:
10.99
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.
2r2a UNCHARACTERIZED
PROTEIN

(Neisseria
meningitidis) 		PF05707
(Zot) 		4 ARG A 138
LEU A   6
VAL A 141
ASP A 165
 None
 0.92A 3ufnA-2r2aA:
undetectable
3ufnB-2r2aA:
undetectable		 3ufnA-2r2aA:
19.10
3ufnB-2r2aA:
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.
2vbi PYRUVATE
DECARBOXYLASE

(Acetobacter
pasteurianus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ARG A 258
LEU A 273
PRO A 212
VAL A 213
 None
 1.12A 3ufnA-2vbiA:
undetectable
3ufnB-2vbiA:
undetectable		 3ufnA-2vbiA:
10.54
3ufnB-2vbiA:
10.54
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.
2w9y FATTY ACID/RETINOL
BINDING PROTEIN
PROTEIN 7, ISOFORM
A, CONFIRMED BY
TRANSCRIPT EVIDENCE

(Caenorhabditis
elegans) 		PF05823
(Gp-FAR-1) 		4 ARG A  74
LEU A  89
VAL A  93
ASP A 135
 None
 1.17A 3ufnA-2w9yA:
undetectable
3ufnB-2w9yA:
undetectable		 3ufnA-2w9yA:
21.77
3ufnB-2w9yA:
21.77
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.
2woc ADP-RIBOSYL-[DINITRO
GEN REDUCTASE]
GLYCOHYDROLASE

(Rhodospirillum
rubrum) 		PF03747
(ADP_ribosyl_GH) 		4 LEU A  51
PRO A  95
VAL A  96
ASP A  21
 None
 1.14A 3ufnA-2wocA:
undetectable
3ufnB-2wocA:
undetectable		 3ufnA-2wocA:
15.59
3ufnB-2wocA:
15.59
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.
2yvx MG2+ TRANSPORTER
MGTE

(Thermus
thermophilus) 		PF00571
(CBS)
PF01769
(MgtE)
PF03448
(MgtE_N) 		4 LEU A 374
PRO A 321
VAL A 322
ASP A 381
 None
 1.11A 3ufnA-2yvxA:
undetectable
3ufnB-2yvxA:
undetectable		 3ufnA-2yvxA:
15.18
3ufnB-2yvxA:
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.
2zu0 PROTEIN SUFD

(Escherichia
coli) 		PF01458
(UPF0051) 		4 LEU A 336
PRO A 276
VAL A 305
ASP A 344
 None
 1.18A 3ufnA-2zu0A:
undetectable
3ufnB-2zu0A:
undetectable		 3ufnA-2zu0A:
14.99
3ufnB-2zu0A:
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		4 ARG A 197
LEU A 210
VAL A 179
ASP A 198
 None
 0.95A 3ufnA-3d3aA:
undetectable
3ufnB-3d3aA:
undetectable		 3ufnA-3d3aA:
10.41
3ufnB-3d3aA:
10.41
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.
3dzc UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Vibrio cholerae) 		PF02350
(Epimerase_2) 		4 ARG A 216
LEU A 248
PRO A 245
VAL A 246
 None
 1.06A 3ufnA-3dzcA:
undetectable
3ufnB-3dzcA:
undetectable		 3ufnA-3dzcA:
14.14
3ufnB-3dzcA:
14.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e18 OXIDOREDUCTASE

(Listeria
innocua) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ARG A 123
LEU A 179
VAL A 151
ASP A 126
 GOL  A 362 (-4.0A)
None
GOL  A 365 (-3.7A)
None
 1.03A 3ufnA-3e18A:
undetectable
3ufnB-3e18A:
undetectable		 3ufnA-3e18A:
15.97
3ufnB-3e18A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3euh MUKE

(Escherichia
coli) 		PF04288
(MukE) 		4 ARG C  40
LEU C  84
VAL C  72
ASP C  36
 None
 1.17A 3ufnA-3euhC:
undetectable
3ufnB-3euhC:
undetectable		 3ufnA-3euhC:
18.47
3ufnB-3euhC:
18.47
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.
3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ARG A 861
LEU A 844
PRO A 615
ASP A 862
 None
 1.08A 3ufnA-3fg4A:
undetectable
3ufnB-3fg4A:
undetectable		 3ufnA-3fg4A:
9.39
3ufnB-3fg4A:
9.39
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.
3fkr L-2-KETO-3-DEOXYARAB
ONATE DEHYDRATASE

(Azospirillum
brasilense) 		PF00701
(DHDPS) 		4 LEU A  57
PRO A  28
VAL A  27
ASP A  47
 None
 0.77A 3ufnA-3fkrA:
undetectable
3ufnB-3fkrA:
undetectable		 3ufnA-3fkrA:
17.79
3ufnB-3fkrA:
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.
3fxg RHAMNONATE
DEHYDRATASE

(Fusarium
graminearum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 106
LEU A 143
VAL A 146
ASP A 104
 None
 0.61A 3ufnA-3fxgA:
undetectable
3ufnB-3fxgA:
undetectable		 3ufnA-3fxgA:
14.61
3ufnB-3fxgA:
14.61
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.
3g69 SORTASE C

(Streptococcus
pneumoniae) 		PF04203
(Sortase) 		4 ARG A 230
LEU A 232
VAL A 199
ASP A  86
 None
 1.14A 3ufnA-3g69A:
undetectable
3ufnB-3g69A:
undetectable		 3ufnA-3g69A:
19.16
3ufnB-3g69A:
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.
3gbf PHPD

(Streptomyces
viridochromogenes) 		no annotation 4 ARG A 246
LEU A 260
PRO A 267
ASP A 236
 None
 1.17A 3ufnA-3gbfA:
undetectable
3ufnB-3gbfA:
undetectable		 3ufnA-3gbfA:
12.19
3ufnB-3gbfA:
12.19
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.
3gm8 GLYCOSIDE HYDROLASE
FAMILY 2, CANDIDATE
BETA-GLYCOSIDASE

(Bacteroides
vulgatus) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 ARG A 328
LEU A 325
VAL A 320
ASP A 309
 None
 1.03A 3ufnA-3gm8A:
undetectable
3ufnB-3gm8A:
undetectable		 3ufnA-3gm8A:
8.64
3ufnB-3gm8A:
8.64
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.
3h77 PQS BIOSYNTHETIC
ENZYME

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 LEU A  97
PRO A  57
VAL A  56
ASP A  84
 None
 1.17A 3ufnA-3h77A:
undetectable
3ufnB-3h77A:
undetectable		 3ufnA-3h77A:
14.46
3ufnB-3h77A:
14.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hea ARYLESTERASE

(Pseudomonas
fluorescens) 		PF00561
(Abhydrolase_1) 		4 ARG A 204
LEU A 237
VAL A 233
ASP A 202
 None
 1.09A 3ufnA-3heaA:
undetectable
3ufnB-3heaA:
undetectable		 3ufnA-3heaA:
14.93
3ufnB-3heaA:
14.93
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.
3hgq HDA1 COMPLEX SUBUNIT
3

(Saccharomyces
cerevisiae) 		PF11496
(HDA2-3) 		4 LEU A 249
PRO A  34
VAL A 239
ASP A  30
 None
 1.10A 3ufnA-3hgqA:
undetectable
3ufnB-3hgqA:
undetectable		 3ufnA-3hgqA:
12.65
3ufnB-3hgqA:
12.65
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		4 ARG A1113
LEU A1004
VAL A1007
ASP A1072
 None
 0.74A 3ufnA-3jb9A:
undetectable
3ufnB-3jb9A:
undetectable		 3ufnA-3jb9A:
3.83
3ufnB-3jb9A:
3.83
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.
3mpx FYVE, RHOGEF AND PH
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF00169
(PH)
PF00621
(RhoGEF) 		4 ARG A1166
LEU A1176
PRO A1173
ASP A1196
 None
 1.14A 3ufnA-3mpxA:
undetectable
3ufnB-3mpxA:
undetectable		 3ufnA-3mpxA:
10.30
3ufnB-3mpxA:
10.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3org CMCLC

(Cyanidioschyzon
merolae) 		PF00654
(Voltage_CLC) 		4 ARG A 531
LEU A 530
VAL A 672
ASP A 533
 None
 1.06A 3ufnA-3orgA:
undetectable
3ufnB-3orgA:
undetectable		 3ufnA-3orgA:
9.81
3ufnB-3orgA:
9.81
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.
3p5p TAXADIENE SYNTHASE

(Taxus
brevifolia) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ARG A 754
LEU A 707
PRO A 701
ASP A 758
 A3C  A 911 (-3.4A)
None
None
None
 1.16A 3ufnA-3p5pA:
undetectable
3ufnB-3p5pA:
undetectable		 3ufnA-3p5pA:
9.82
3ufnB-3p5pA:
9.82
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.
3r18 SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 ARG A 103
LEU A 107
VAL A 109
ASP A 282
 None
 0.96A 3ufnA-3r18A:
undetectable
3ufnB-3r18A:
undetectable		 3ufnA-3r18A:
12.21
3ufnB-3r18A:
12.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rju BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Yersinia pestis) 		PF00144
(Beta-lactamase) 		4 ARG A  36
LEU A  25
VAL A  27
ASP A   8
 None
 1.07A 3ufnA-3rjuA:
undetectable
3ufnB-3rjuA:
undetectable		 3ufnA-3rjuA:
14.81
3ufnB-3rjuA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3trr PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		4 LEU A 153
PRO A 146
VAL A 149
ASP A 164
 None
 1.14A 3ufnA-3trrA:
undetectable
3ufnB-3trrA:
undetectable		 3ufnA-3trrA:
17.55
3ufnB-3trrA:
17.55
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.
3tw8 DENN
DOMAIN-CONTAINING
PROTEIN 1B

(Homo sapiens) 		PF02141
(DENN)
PF03455
(dDENN)
PF03456
(uDENN) 		4 LEU A  99
PRO A  50
VAL A  49
ASP A  42
 None
 1.11A 3ufnA-3tw8A:
undetectable
3ufnB-3tw8A:
undetectable		 3ufnA-3tw8A:
14.29
3ufnB-3tw8A:
14.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		4 ARG A   8
LEU A  23
PRO A  81
VAL A  82
 None
 0.62A 3ufnA-3uhlA:
17.1
3ufnB-3uhlA:
16.4		 3ufnA-3uhlA:
100.00
3ufnB-3uhlA:
100.00
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		4 LEU A 154
PRO A 159
VAL A 158
ASP A 102
 None
None
None
SAM  A 501 ( 4.9A)
 1.11A 3ufnA-3vywA:
undetectable
3ufnB-3vywA:
undetectable		 3ufnA-3vywA:
17.80
3ufnB-3vywA:
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.
4di5 5-EPI-ARISTOLOCHENE
SYNTHASE

(Nicotiana
tabacum) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ARG A 441
LEU A 395
PRO A 389
ASP A 445
 DPO  A 605 ( 3.1A)
None
None
MG  A 604 (-3.8A)
 1.05A 3ufnA-4di5A:
undetectable
3ufnB-4di5A:
undetectable		 3ufnA-4di5A:
13.45
3ufnB-4di5A:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4flc ADENYLOSUCCINATE
LYASE

(Homo sapiens) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 ARG A 190
LEU A 132
PRO A 471
ASP A 191
 None
 0.98A 3ufnA-4flcA:
undetectable
3ufnB-4flcA:
undetectable		 3ufnA-4flcA:
10.53
3ufnB-4flcA:
10.53
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.
4kvf RHAMNOSE ABC
TRANSPORTER,
PERIPLASMIC
RHAMNOSE-BINDING
PROTEIN

(Kribbella
flavida) 		PF13407
(Peripla_BP_4) 		4 ARG A 157
LEU A 135
VAL A 145
ASP A 151
 None
 1.15A 3ufnA-4kvfA:
undetectable
3ufnB-4kvfA:
undetectable		 3ufnA-4kvfA:
15.58
3ufnB-4kvfA:
15.58
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.
4lu6 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE REBH

(Lechevalieria
aerocolonigenes) 		PF04820
(Trp_halogenase) 		4 ARG A 400
LEU A 250
VAL A 353
ASP A 401
 None
 1.14A 3ufnA-4lu6A:
undetectable
3ufnB-4lu6A:
undetectable		 3ufnA-4lu6A:
12.32
3ufnB-4lu6A:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mct KILLER PROTEIN

(Proteus
vulgaris) 		PF05015
(HigB-like_toxin) 		4 LEU B  13
PRO B  23
VAL B  22
ASP B  28
 None
 1.10A 3ufnA-4mctB:
undetectable
3ufnB-4mctB:
undetectable		 3ufnA-4mctB:
22.55
3ufnB-4mctB:
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.
4mcx KILLER PROTEIN

(Proteus
vulgaris) 		PF05015
(HigB-like_toxin) 		4 LEU B  13
PRO B  23
VAL B  22
ASP B  28
 None
 1.11A 3ufnA-4mcxB:
undetectable
3ufnB-4mcxB:
undetectable		 3ufnA-4mcxB:
20.51
3ufnB-4mcxB:
20.51
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.
4me2 UNCHARACTERIZED
PROTEIN

(Brachypodium
distachyon) 		no annotation 4 ARG A 183
LEU A 178
VAL A 125
ASP A 140
 None
 1.13A 3ufnA-4me2A:
undetectable
3ufnB-4me2A:
undetectable		 3ufnA-4me2A:
14.06
3ufnB-4me2A:
14.06
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.
4n7t PHOSPHOPENTOMUTASE

(Streptococcus
mutans) 		PF01676
(Metalloenzyme) 		4 LEU A  48
PRO A  71
VAL A  70
ASP A 318
 None
 1.18A 3ufnA-4n7tA:
undetectable
3ufnB-4n7tA:
undetectable		 3ufnA-4n7tA:
15.59
3ufnB-4n7tA:
15.59
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.
4nmw PIMELYL-[ACYL-CARRIE
R PROTEIN] METHYL
ESTER ESTERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		4 ARG A 189
LEU A 218
PRO A 211
ASP A 187
 None
 1.10A 3ufnA-4nmwA:
undetectable
3ufnB-4nmwA:
undetectable		 3ufnA-4nmwA:
15.95
3ufnB-4nmwA:
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.
4p0a E3 UBIQUITIN-PROTEIN
LIGASE RNF31

(Homo sapiens) 		PF09409
(PUB) 		4 ARG A 116
LEU A 119
VAL A  98
ASP A 110
 None
 1.17A 3ufnA-4p0aA:
undetectable
3ufnB-4p0aA:
undetectable		 3ufnA-4p0aA:
19.13
3ufnB-4p0aA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4twl DIOSCORIN 5

(Dioscorea
japonica) 		PF00194
(Carb_anhydrase) 		4 ARG A  55
LEU A  82
VAL A 127
ASP A 172
 None
 1.00A 3ufnA-4twlA:
undetectable
3ufnB-4twlA:
undetectable		 3ufnA-4twlA:
18.47
3ufnB-4twlA:
18.47
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.
4txk PROTEIN-METHIONINE
SULFOXIDE OXIDASE
MICAL1

(Mus musculus) 		PF00307
(CH)
PF01494
(FAD_binding_3) 		4 ARG A  98
LEU A 164
VAL A 167
ASP A 134
 None
 0.82A 3ufnA-4txkA:
undetectable
3ufnB-4txkA:
undetectable		 3ufnA-4txkA:
9.67
3ufnB-4txkA:
9.67
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.
4u98 MALTOKINASE

(Mycolicibacterium
vanbaalenii) 		PF01636
(APH) 		4 ARG A 400
LEU A 406
VAL A 344
ASP A 398
 None
 1.05A 3ufnA-4u98A:
undetectable
3ufnB-4u98A:
undetectable		 3ufnA-4u98A:
12.53
3ufnB-4u98A:
12.53
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.
4wib MAGNESIUM
TRANSPORTER MGTE

(Thermus
thermophilus) 		PF01769
(MgtE) 		4 LEU A 374
PRO A 321
VAL A 322
ASP A 381
 None
 0.95A 3ufnA-4wibA:
undetectable
3ufnB-4wibA:
undetectable		 3ufnA-4wibA:
20.99
3ufnB-4wibA:
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.
4yvs CAPSID PROTEIN VP0

(Enterovirus A) 		PF00073
(Rhv) 		4 LEU C 215
PRO C 218
VAL C 217
ASP C 167
 None
 1.13A 3ufnA-4yvsC:
undetectable
3ufnB-4yvsC:
undetectable		 3ufnA-4yvsC:
17.04
3ufnB-4yvsC:
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.
5a49 MATERNAL EFFECT
PROTEIN OSKAR

(Drosophila
melanogaster) 		PF12872
(OST-HTH) 		4 ARG A 161
LEU A 164
VAL A 205
ASP A 157
 None
 1.17A 3ufnA-5a49A:
undetectable
3ufnB-5a49A:
undetectable		 3ufnA-5a49A:
22.22
3ufnB-5a49A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bnc HEME BINDING PROTEIN
MSMEG_6519

(Mycolicibacterium
smegmatis) 		PF10615
(DUF2470)
PF13883
(Pyrid_oxidase_2) 		4 ARG A 126
LEU A 122
VAL A 147
ASP A 141
 None
 1.04A 3ufnA-5bncA:
undetectable
3ufnB-5bncA:
0.5		 3ufnA-5bncA:
18.07
3ufnB-5bncA:
18.07
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.
5bra PUTATIVE PERIPLASMIC
BINDING PROTEIN WITH
SUBSTRATE RIBOSE

(Ochrobactrum
anthropi) 		PF13407
(Peripla_BP_4) 		4 ARG A  59
LEU A 262
VAL A 263
ASP A 282
 None
 1.04A 3ufnA-5braA:
undetectable
3ufnB-5braA:
undetectable		 3ufnA-5braA:
16.15
3ufnB-5braA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE

(Thymus vulgaris) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ARG A 490
LEU A 443
PRO A 437
ASP A 494
 ARG  A 490 ( 0.6A)
LEU  A 443 ( 0.6A)
PRO  A 437 ( 1.1A)
ASP  A 494 ( 0.6A)
 1.07A 3ufnA-5c05A:
undetectable
3ufnB-5c05A:
undetectable		 3ufnA-5c05A:
10.81
3ufnB-5c05A:
10.81
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.
5csa ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00364
(Biotin_lipoyl)
PF08326
(ACC_central) 		4 ARG A 955
LEU A 962
VAL A 965
ASP A 956
 None
 1.07A 3ufnA-5csaA:
undetectable
3ufnB-5csaA:
undetectable		 3ufnA-5csaA:
7.61
3ufnB-5csaA:
7.61
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.
5dd5 ANTI-HIV ANTIBODY
DH570.9 FAB HEAVY
CHAIN

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LEU L 179
PRO L 120
VAL L 132
ASP L 185
 None
 1.16A 3ufnA-5dd5L:
undetectable
3ufnB-5dd5L:
undetectable		 3ufnA-5dd5L:
19.14
3ufnB-5dd5L:
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.
5dq9 S55-3 FAB (IGG2B)
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ARG A  94
LEU A   4
VAL A   2
ASP A 101
 None
 0.99A 3ufnA-5dq9A:
undetectable
3ufnB-5dq9A:
undetectable		 3ufnA-5dq9A:
18.02
3ufnB-5dq9A:
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.
5e3j RESPONSE REGULATOR
RSTA

(Acinetobacter
baumannii) 		PF00072
(Response_reg) 		4 ARG A 117
LEU A 114
VAL A 109
ASP A 103
 None
 0.91A 3ufnA-5e3jA:
undetectable
3ufnB-5e3jA:
undetectable		 3ufnA-5e3jA:
24.41
3ufnB-5e3jA:
24.41
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.
5gms ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		4 ARG A 159
LEU A 228
VAL A 257
ASP A 224
 None
 1.14A 3ufnA-5gmsA:
undetectable
3ufnB-5gmsA:
undetectable		 3ufnA-5gmsA:
15.81
3ufnB-5gmsA:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h98 GEOBACTER
METALLIREDUCENS
SMUG1

(Geobacter
metallireducens) 		no annotation 4 ARG A  35
LEU A  32
PRO A 139
ASP A   9
 None
 1.09A 3ufnA-5h98A:
undetectable
3ufnB-5h98A:
undetectable		 3ufnA-5h98A:
18.41
3ufnB-5h98A:
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.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B

(Homo sapiens) 		no annotation 4 ARG A 289
LEU A 281
VAL A 292
ASP A 324
 None
 1.11A 3ufnA-5hdtA:
undetectable
3ufnB-5hdtA:
undetectable		 3ufnA-5hdtA:
6.05
3ufnB-5hdtA:
6.05
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.
5hvo ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Aspergillus
fumigatus) 		PF00982
(Glyco_transf_20) 		4 ARG A 126
PRO A 192
VAL A 193
ASP A 123
 None
 0.98A 3ufnA-5hvoA:
undetectable
3ufnB-5hvoA:
undetectable		 3ufnA-5hvoA:
14.41
3ufnB-5hvoA:
14.41
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.
5i3a TYROSINASE

(Bacillus
megaterium) 		PF00264
(Tyrosinase) 		4 ARG A 191
LEU A  66
PRO A 273
ASP A 178
 None
 1.12A 3ufnA-5i3aA:
undetectable
3ufnB-5i3aA:
undetectable		 3ufnA-5i3aA:
19.20
3ufnB-5i3aA:
19.20
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.
5i7n MAOC-LIKE
DEHYDRATASE

(Mycobacteroides
abscessus) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		4 ARG A 225
LEU A 228
PRO A 240
ASP A 255
 None
 1.14A 3ufnA-5i7nA:
undetectable
3ufnB-5i7nA:
undetectable		 3ufnA-5i7nA:
20.15
3ufnB-5i7nA:
20.15
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.
5jo7 VETISPIRADIENE
SYNTHASE 1

(Hyoscyamus
muticus) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ARG A 448
LEU A 402
PRO A 396
ASP A 452
 None
 1.08A 3ufnA-5jo7A:
undetectable
3ufnB-5jo7A:
undetectable		 3ufnA-5jo7A:
11.44
3ufnB-5jo7A:
11.44
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.
5lc8 ARACHIDONATE
15-LIPOXYGENASE

(Pseudomonas
aeruginosa) 		PF00305
(Lipoxygenase) 		4 ARG A 481
LEU A 464
PRO A 244
ASP A 482
 None
 1.04A 3ufnA-5lc8A:
undetectable
3ufnB-5lc8A:
undetectable		 3ufnA-5lc8A:
9.83
3ufnB-5lc8A:
9.83
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.
5lta PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		4 LEU A 313
PRO A 346
VAL A 379
ASP A 321
 None
 1.11A 3ufnA-5ltaA:
undetectable
3ufnB-5ltaA:
undetectable		 3ufnA-5ltaA:
8.99
3ufnB-5ltaA:
8.99
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.
5mf1 FUSION PROTEIN
HAP2/GCS1

(Chlamydomonas
reinhardtii) 		PF10699
(HAP2-GCS1) 		4 ARG A 348
LEU A 324
PRO A 327
VAL A 326
 None
 1.13A 3ufnA-5mf1A:
undetectable
3ufnB-5mf1A:
undetectable		 3ufnA-5mf1A:
10.99
3ufnB-5mf1A:
10.99
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.
5mkg DIGUANYLATE
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		4 ARG B 225
LEU B 236
VAL B 219
ASP B 226
 None
 0.77A 3ufnA-5mkgB:
undetectable
3ufnB-5mkgB:
undetectable		 3ufnA-5mkgB:
15.92
3ufnB-5mkgB:
15.92
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 ARG A1819
LEU A1782
VAL A1785
ASP A1820
 None
 1.17A 3ufnA-5nugA:
undetectable
3ufnB-5nugA:
undetectable		 3ufnA-5nugA:
2.09
3ufnB-5nugA:
2.09
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.
5o8x SOLUBLE LYTIC
TRANSGLYCOSYLASE B

(Pseudomonas
aeruginosa) 		no annotation 4 ARG A 245
PRO A 279
VAL A 261
ASP A 257
 None
 1.16A 3ufnA-5o8xA:
undetectable
3ufnB-5o8xA:
undetectable		 3ufnA-5o8xA:
21.30
3ufnB-5o8xA:
21.30
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.
5ovo ADP-RIBOSYL-(DINITRO
GEN REDUCTASE)
HYDROLASE

(Azospirillum
brasilense) 		no annotation 4 LEU A  51
PRO A  95
VAL A  96
ASP A  21
 None
 1.08A 3ufnA-5ovoA:
undetectable
3ufnB-5ovoA:
undetectable		 3ufnA-5ovoA:
16.90
3ufnB-5ovoA:
16.90
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.
5uv2 (+)-LIMONENE
SYNTHASE

(Citrus sinensis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 ARG A 485
LEU A 438
PRO A 432
ASP A 489
 LA6  A 704 (-2.9A)
None
None
None
 1.11A 3ufnA-5uv2A:
undetectable
3ufnB-5uv2A:
undetectable		 3ufnA-5uv2A:
10.90
3ufnB-5uv2A:
10.90
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.
5v9p LYSINE-SPECIFIC
DEMETHYLASE 5A

(Homo sapiens) 		PF00628
(PHD)
PF01388
(ARID)
PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2)
PF08429
(PLU-1) 		4 ARG A  87
LEU A 536
VAL A 537
ASP A 116
 None
 1.08A 3ufnA-5v9pA:
undetectable
3ufnB-5v9pA:
undetectable		 3ufnA-5v9pA:
9.59
3ufnB-5v9pA:
9.59
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.
5y10 MEMBRANE
GLYCOPROTEIN
POLYPROTEIN

(SFTS
phlebovirus) 		PF07243
(Phlebovirus_G1) 		4 ARG C  77
LEU C  54
VAL C  80
ASP C 100
 None
 1.11A 3ufnA-5y10C:
undetectable
3ufnB-5y10C:
undetectable		 3ufnA-5y10C:
16.09
3ufnB-5y10C:
16.09
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.
5ydl PKS

(Streptomyces
sp. CNQ431) 		no annotation 4 ARG A 130
LEU A 133
VAL A 150
ASP A 128
 None
 1.18A 3ufnA-5ydlA:
undetectable
3ufnB-5ydlA:
undetectable		 3ufnA-5ydlA:
17.54
3ufnB-5ydlA:
17.54
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.
6bo0 MDBA PROTEIN

(Corynebacterium
matruchotii) 		no annotation 4 ARG A 155
LEU A  72
VAL A 116
ASP A 102
 None
 1.18A 3ufnA-6bo0A:
undetectable
3ufnB-6bo0A:
undetectable		 3ufnA-6bo0A:
19.81
3ufnB-6bo0A:
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.
6d6y APRA
METHYLTRANSFERASE 2

(Moorea
bouillonii) 		no annotation 4 ARG A 967
LEU A 978
VAL A 982
ASP A 963
 None
 1.13A 3ufnA-6d6yA:
undetectable
3ufnB-6d6yA:
undetectable		 3ufnA-6d6yA:
19.61
3ufnB-6d6yA:
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.
6fu4 PROBABLE CHEMOTAXIS
TRANSDUCER

(Pseudomonas
aeruginosa) 		no annotation 4 ARG A  61
LEU A 334
PRO A 337
VAL A 336
 None
 1.01A 3ufnA-6fu4A:
undetectable
3ufnB-6fu4A:
undetectable		 3ufnA-6fu4A:
15.31
3ufnB-6fu4A:
15.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g8r SHORT-CHAIN VARIABLE
FRAGMENT

(Homo sapiens) 		no annotation 4 ARG A  98
LEU A   4
VAL A   2
ASP A 107
 None
 1.13A 3ufnA-6g8rA:
undetectable
3ufnB-6g8rA:
undetectable		 3ufnA-6g8rA:
22.55
3ufnB-6g8rA:
22.55