SIMILAR PATTERNS OF AMINO ACIDS FOR 3VAQ_B_ADNB401_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bp1 BACTERICIDAL/PERMEAB
ILITY-INCREASING
PROTEIN

(Homo sapiens) 		PF01273
(LBP_BPI_CETP)
PF02886
(LBP_BPI_CETP_C) 		4 LEU A 154
GLY A 152
MET A 100
PHE A  41
 None
 1.11A 3vaqB-1bp1A:
undetectable		 3vaqB-1bp1A:
21.58
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.
1n0w DNA REPAIR PROTEIN
RAD51 HOMOLOG 1

(Homo sapiens) 		PF08423
(Rad51) 		4 LEU A 113
GLY A 116
MET A 125
PHE A 327
 MG  A 401 (-4.2A)
MG  A 401 (-3.8A)
None
None
 1.50A 3vaqB-1n0wA:
2.0		 3vaqB-1n0wA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q2e EXOCELLOBIOHYDROLASE
I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		4 LEU A 136
GLY A 142
MET A 374
PHE A  95
 None
 1.45A 3vaqB-1q2eA:
0.0		 3vaqB-1q2eA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r82 GLYCOPROTEIN-FUCOSYL
GALACTOSIDE
ALPHA-GALACTOSYLTRAN
SFERASE

(Homo sapiens) 		PF03414
(Glyco_transf_6) 		4 LEU A 118
GLY A 117
MET A 142
PHE A 269
 None
 1.12A 3vaqB-1r82A:
undetectable		 3vaqB-1r82A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uou THYMIDINE
PHOSPHORYLASE

(Homo sapiens) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 LEU A 155
GLY A 153
MET A 142
PHE A 164
 None
CMU  A1481 ( 4.1A)
None
None
 1.21A 3vaqB-1uouA:
1.9		 3vaqB-1uouA:
21.93
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.
1xe4 FEMX

(Weissella
viridescens) 		PF02388
(FemAB) 		4 LEU A 289
GLY A 290
MET A 275
PHE A 304
 None
 1.35A 3vaqB-1xe4A:
undetectable		 3vaqB-1xe4A:
23.14
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.
2bjs ISOPENICILLIN N
SYNTHETASE

(Aspergillus
nidulans) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 LEU A 157
GLY A 159
MET A 257
PHE A 170
 None
 1.35A 3vaqB-2bjsA:
undetectable		 3vaqB-2bjsA:
21.39
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.
2re3 UNCHARACTERIZED
PROTEIN

(Ruegeria
pomeroyi) 		PF06938
(DUF1285) 		4 LEU A 175
GLY A 166
MET A 185
PHE A 159
 None
 1.13A 3vaqB-2re3A:
undetectable		 3vaqB-2re3A:
20.18
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.
2tpt THYMIDINE
PHOSPHORYLASE

(Escherichia
coli) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 LEU A 124
GLY A 122
MET A 111
PHE A 133
 None
None
SO4  A 441 ( 4.1A)
None
 1.27A 3vaqB-2tptA:
2.8		 3vaqB-2tptA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uz0 TRIBUTYRIN ESTERASE

(Streptococcus
pneumoniae) 		PF00756
(Esterase) 		4 LEU A 158
GLY A 159
MET A 121
PHE A 148
 None
 1.44A 3vaqB-2uz0A:
4.6		 3vaqB-2uz0A:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yok EXOGLUCANASE 1

(Trichoderma
harzianum) 		PF00840
(Glyco_hydro_7) 		4 LEU A 149
GLY A 155
MET A 387
PHE A 111
 None
 1.44A 3vaqB-2yokA:
undetectable		 3vaqB-2yokA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9s INTEGRON CASSETTE
PROTEIN

(Vibrio cholerae) 		PF00583
(Acetyltransf_1) 		4 LEU A 103
GLY A 100
MET A  85
PHE A  67
 None
 1.14A 3vaqB-3i9sA:
undetectable		 3vaqB-3i9sA:
23.26
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.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom) 		4 LEU A2201
GLY A2203
MET A2327
PHE A2358
 None
 1.33A 3vaqB-3jbzA:
undetectable		 3vaqB-3jbzA:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6i UNCHARACTERIZED
LIPOPROTEIN YCEB

(Escherichia
coli) 		PF07273
(DUF1439) 		4 LEU A  88
GLY A  69
MET A 108
PHE A  34
 None
 1.25A 3vaqB-3l6iA:
undetectable		 3vaqB-3l6iA:
19.25
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.
3pz2 GERANYLGERANYL
TRANSFERASE TYPE-2
SUBUNIT BETA

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		4 LEU B 292
GLY B  53
MET B  60
PHE B 278
 None
 1.48A 3vaqB-3pz2B:
undetectable		 3vaqB-3pz2B:
21.09
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.
3qtp ENOLASE 1

(Entamoeba
histolytica) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 LEU A 161
GLY A 217
MET A 242
PHE A 249
 None
 1.27A 3vaqB-3qtpA:
undetectable		 3vaqB-3qtpA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r8e HYPOTHETICAL SUGAR
KINASE

(Cytophaga
hutchinsonii) 		PF00480
(ROK) 		4 LEU A   3
GLY A  62
MET A  44
PHE A  98
 None
 1.40A 3vaqB-3r8eA:
undetectable		 3vaqB-3r8eA:
23.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		4 LEU A  16
GLY A  63
MET A 134
PHE A 169
 ADN  A 401 (-4.7A)
ADN  A 401 ( 3.8A)
ADN  A 401 ( 4.0A)
ADN  A 401 (-3.7A)
 0.37A 3vaqB-3vasA:
58.1		 3vaqB-3vasA:
99.46
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.
4amt RENIN

(Homo sapiens) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		4 LEU A  33
GLY A  34
MET A  59
PHE A 296
 None
 1.40A 3vaqB-4amtA:
undetectable		 3vaqB-4amtA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aw2 SERINE/THREONINE-PRO
TEIN KINASE MRCK
ALPHA

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 LEU A 321
GLY A 269
MET A 185
PHE A 342
 None
 1.42A 3vaqB-4aw2A:
undetectable		 3vaqB-4aw2A:
21.82
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.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		4 LEU A 749
GLY A 751
MET A 387
PHE A 421
 GOL  A1798 ( 4.5A)
None
None
None
 1.48A 3vaqB-4bq4A:
undetectable		 3vaqB-4bq4A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g3a CLIP-ASSOCIATING
PROTEIN

(Drosophila
melanogaster) 		PF12348
(CLASP_N) 		4 LEU A  50
GLY A  48
MET A  55
PHE A  84
 None
 1.44A 3vaqB-4g3aA:
undetectable		 3vaqB-4g3aA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4haq GH7 FAMILY PROTEIN

(Limnoria
quadripunctata) 		PF00840
(Glyco_hydro_7) 		4 LEU A 157
GLY A 163
MET A 399
PHE A 115
 None
 1.48A 3vaqB-4haqA:
undetectable		 3vaqB-4haqA:
18.91
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.
4k3y NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 LEU A 319
GLY A 320
MET A 353
PHE A 384
 None
 1.26A 3vaqB-4k3yA:
undetectable		 3vaqB-4k3yA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v20 CELLOBIOHYDROLASE

(Aspergillus
fumigatus) 		PF00840
(Glyco_hydro_7) 		4 LEU A 136
GLY A 142
MET A 381
PHE A  95
 None
 1.44A 3vaqB-4v20A:
undetectable		 3vaqB-4v20A:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y63 HISTO-BLOOD GROUP
ABO SYSTEM
TRANSFERASE

(Homo sapiens) 		PF03414
(Glyco_transf_6) 		4 LEU A 118
GLY A 117
MET A 142
PHE A 269
 None
 1.18A 3vaqB-4y63A:
undetectable		 3vaqB-4y63A:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zzq CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
discoideum) 		PF00840
(Glyco_hydro_7) 		4 LEU A 135
GLY A 141
MET A 380
PHE A  94
 None
 1.45A 3vaqB-4zzqA:
undetectable		 3vaqB-4zzqA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5amp CELLOBIOHYDROLASE I

(Galactomyces
candidus) 		PF00840
(Glyco_hydro_7) 		4 LEU A 136
GLY A 142
MET A 378
PHE A  95
 None
 1.44A 3vaqB-5ampA:
undetectable		 3vaqB-5ampA:
21.09
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.
5e5b FACT COMPLEX SUBUNIT
SPT16

(Homo sapiens) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		4 LEU A 381
GLY A 382
MET A 330
PHE A 304
 None
 1.28A 3vaqB-5e5bA:
undetectable		 3vaqB-5e5bA:
23.41
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.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE

(Pyrococcus
horikoshii) 		PF02449
(Glyco_hydro_42) 		4 LEU A  90
GLY A  91
MET A  44
PHE A  83
 None
 1.46A 3vaqB-5gslA:
2.2		 3vaqB-5gslA:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gsm EXO-BETA-D-GLUCOSAMI
NIDASE

(Thermococcus
kodakarensis) 		PF02449
(Glyco_hydro_42) 		4 LEU A  88
GLY A  89
MET A  42
PHE A  81
 None
 1.38A 3vaqB-5gsmA:
undetectable		 3vaqB-5gsmA:
19.22
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.
5jp0 BETA-GLUCOSIDASE
BOGH3B

(Bacteroides
ovatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 LEU A 186
GLY A 241
MET A 259
PHE A 267
 None
 1.49A 3vaqB-5jp0A:
4.7		 3vaqB-5jp0A:
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
3
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
6

(Bos taurus) 		PF00146
(NADHdh)
PF00499
(Oxidored_q3)
PF00507
(Oxidored_q4) 		4 LEU J  45
GLY J  42
MET A   4
PHE H 104
 None
 1.29A 3vaqB-5lc5J:
undetectable		 3vaqB-5lc5J:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m0t ALPHA-KETOGLUTARATE-
DEPENDENT NON-HEME
IRON OXYGENASE EASH

(Aspergillus
japonicus) 		PF05721
(PhyH) 		4 LEU A  99
GLY A  98
MET A 228
PHE A  38
 None
 1.13A 3vaqB-5m0tA:
undetectable		 3vaqB-5m0tA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n28 METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(Methanotorris
formicicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 LEU B 179
GLY B 180
MET B 131
PHE B 420
 None
 1.26A 3vaqB-5n28B:
undetectable		 3vaqB-5n28B:
21.58
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.
5o5d GLUCANASE

(Trichoderma
atroviride) 		no annotation 4 LEU A 136
GLY A 142
MET A 374
PHE A  95
 None
 1.46A 3vaqB-5o5dA:
undetectable		 3vaqB-5o5dA:
15.25
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.
5ot4 INTERAPTIN

(Legionella
pneumophila) 		no annotation 4 LEU A 417
GLY A 418
MET A 379
PHE A 410
 None
 1.41A 3vaqB-5ot4A:
undetectable		 3vaqB-5ot4A:
12.46
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.
5w11 GLUCANASE

(Thermothelomyces
thermophila) 		no annotation 4 LEU A 137
GLY A 143
MET A 379
PHE A  95
 None
 1.44A 3vaqB-5w11A:
undetectable		 3vaqB-5w11A:
12.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wq6 MBP TAGGED HMNDA-PYD

(Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		4 LEU A 380
GLY A 383
MET A 422
PHE A 392
 None
 1.37A 3vaqB-5wq6A:
undetectable		 3vaqB-5wq6A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wwt PUTATIVE
METHYLTRANSFERASE
NSUN6

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		4 LEU A 179
GLY A 195
MET A 142
PHE A 185
 None
 1.34A 3vaqB-5wwtA:
4.5		 3vaqB-5wwtA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xts MACROPHAGE MANNOSE
RECEPTOR 1

(Homo sapiens) 		no annotation 4 LEU A 426
GLY A 425
MET A 466
PHE A 445
 None
 1.39A 3vaqB-5xtsA:
undetectable		 3vaqB-5xtsA:
10.51
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 4 LEU A 883
GLY A 880
MET A 191
PHE A 941
 None
 1.06A 3vaqB-6fn1A:
undetectable		 3vaqB-6fn1A:
12.57