SIMILAR PATTERNS OF AMINO ACIDS FOR 3LP0_A_NVPA701_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.
1fcu HYALURONOGLUCOSAMINI
DASE

(Apis mellifera) 		PF01630
(Glyco_hydro_56) 		5 LEU A 324
VAL A  17
GLY A 302
LEU A 278
TYR A 319
 None
 1.16A 3lp0A-1fcuA:
0.0		 3lp0A-1fcuA:
20.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1har HIV-1 REVERSE
TRANSCRIPTASE
(FINGERS AND PALM
SUBDOMAINS)

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1) 		5 VAL A 106
VAL A 179
TYR A 181
TYR A 188
GLY A 190
 None
 0.62A 3lp0A-1harA:
27.0		 3lp0A-1harA:
93.98
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.
1oyp RIBONUCLEASE PH

(Bacillus
subtilis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 215
VAL A 164
VAL A 186
GLY A 165
LEU A 219
 None
 1.14A 3lp0A-1oypA:
0.0		 3lp0A-1oypA:
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.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		5 VAL A 503
VAL A 483
TYR A 508
TYR A 542
GLY A 540
 None
 1.50A 3lp0A-1wdtA:
4.1		 3lp0A-1wdtA:
24.97
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.
1xk5 SNURPORTIN-1

(Homo sapiens) 		no annotation 5 LEU A 115
VAL A 285
VAL A 288
GLY A 287
LEU A 108
 None
 1.28A 3lp0A-1xk5A:
0.0		 3lp0A-1xk5A:
15.17
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.
1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
gigas) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 LEU A  60
VAL A  87
GLY A  88
LEU A  12
TYR A  44
 GOL  A1272 (-4.0A)
None
GOL  A1271 (-3.8A)
None
None
 1.20A 3lp0A-1yq9A:
0.0		 3lp0A-1yq9A:
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.
2hlw UBIQUITIN-CONJUGATIN
G ENZYME E2 VARIANT
1

(Homo sapiens) 		PF00179
(UQ_con) 		5 LEU A  90
VAL A 123
TYR A  88
GLY A 121
LEU A 147
 None
 1.43A 3lp0A-2hlwA:
undetectable		 3lp0A-2hlwA:
14.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		8 LEU A 100
VAL A 106
VAL A 179
TYR A 181
GLY A 190
TRP A 229
LEU A 234
TYR A 318
 PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 ( 4.2A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.64A 3lp0A-2hnzA:
37.5		 3lp0A-2hnzA:
99.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		7 LEU A 100
VAL A 106
VAL A 179
TYR A 181
TYR A 188
GLY A 190
TRP A 229
 PC0  A 999 ( 3.9A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 (-4.1A)
PC0  A 999 ( 4.8A)
PC0  A 999 ( 4.2A)
 0.76A 3lp0A-2hnzA:
37.5		 3lp0A-2hnzA:
99.63
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.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 130
VAL A 148
VAL A 230
GLY A 147
TYR A 196
 None
 1.27A 3lp0A-2ix4A:
0.0		 3lp0A-2ix4A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjo BIFUNCTIONAL NMN
ADENYLYLTRANSFERASE/
NUDIX HYDROLASE

(Synechocystis
sp. PCC 6803) 		PF00293
(NUDIX)
PF01467
(CTP_transf_like) 		5 LEU A  27
VAL A  35
VAL A 107
TYR A  10
GLY A   8
 None
None
None
NAD  A 601 (-4.6A)
None
 1.20A 3lp0A-2qjoA:
undetectable		 3lp0A-2qjoA:
20.62
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.
2vkp BTB/POZ
DOMAIN-CONTAINING
PROTEIN 6

(Homo sapiens) 		PF00651
(BTB) 		5 LEU A  66
VAL A  93
TYR A  91
GLY A  33
TYR A  70
 None
 1.27A 3lp0A-2vkpA:
undetectable		 3lp0A-2vkpA:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z06 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0625

(Thermus
thermophilus) 		PF13277
(YmdB) 		5 LEU A   4
VAL A 191
TYR A 247
GLY A   7
LEU A  22
 None
 1.35A 3lp0A-2z06A:
undetectable		 3lp0A-2z06A:
17.28
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.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 LEU A 349
VAL A 409
TYR A 404
GLY A 411
LEU A 370
 None
 1.43A 3lp0A-3a24A:
undetectable		 3lp0A-3a24A:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		5 LEU A 206
VAL A 189
VAL A 192
GLY A 191
TYR A 210
 None
 1.19A 3lp0A-3anyA:
undetectable		 3lp0A-3anyA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b4t RIBONUCLEASE PH

(Mycobacterium
tuberculosis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 216
VAL A 166
VAL A 187
GLY A 167
LEU A 220
 None
 1.17A 3lp0A-3b4tA:
undetectable		 3lp0A-3b4tA:
18.68
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.
3dd6 RIBONUCLEASE PH

(Bacillus
anthracis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 215
VAL A 164
VAL A 186
GLY A 165
LEU A 219
 None
 1.12A 3lp0A-3dd6A:
undetectable		 3lp0A-3dd6A:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ov3 CURCUMIN SYNTHASE

(Curcuma longa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 283
VAL A 298
VAL A 383
GLY A 368
LEU A 317
 None
 1.44A 3lp0A-3ov3A:
undetectable		 3lp0A-3ov3A:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t12 GLIDING PROTEIN MGLA

(Thermus
thermophilus) 		PF00025
(Arf) 		5 LEU A 124
VAL A  96
TYR A  18
GLY A  98
LEU A 131
 None
 1.32A 3lp0A-3t12A:
undetectable		 3lp0A-3t12A:
19.69
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.
4axn CHITINASE C1

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		5 LEU A 262
TYR A 323
GLY A 296
LEU A 236
TYR A 207
 None
 1.36A 3lp0A-4axnA:
1.0		 3lp0A-4axnA:
21.67
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.
4dz4 AGMATINASE

(Burkholderia
thailandensis) 		PF00491
(Arginase) 		5 LEU A 141
VAL A 285
VAL A  50
GLY A 132
TYR A 238
 None
 1.49A 3lp0A-4dz4A:
undetectable		 3lp0A-4dz4A:
20.55
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.
4esa HEMOGLOBIN BETA
CHAIN

(Eleginops
maclovinus) 		PF00042
(Globin) 		5 LEU B 110
VAL B  67
TYR B  20
GLY B  64
LEU B  18
 None
HEM  B 202 (-3.9A)
None
None
None
 1.39A 3lp0A-4esaB:
undetectable		 3lp0A-4esaB:
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.
4f1h TYROSYL-DNA
PHOSPHODIESTERASE 2

(Danio rerio) 		PF03372
(Exo_endo_phos) 		5 LEU A 170
TYR A 177
GLY A 190
LEU A 145
TYR A 166
 None
 1.36A 3lp0A-4f1hA:
undetectable		 3lp0A-4f1hA:
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.
4ftw PHOSPHOLIPASE/CARBOX
YLESTERASE

(Rhodobacter
sphaeroides) 		PF02230
(Abhydrolase_2) 		5 LEU A 255
VAL A 162
VAL A 211
GLY A 187
LEU A  85
 None
 1.35A 3lp0A-4ftwA:
undetectable		 3lp0A-4ftwA:
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.
4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE

(Caenorhabditis
elegans) 		PF00481
(PP2C) 		5 LEU A 180
VAL A  87
VAL A 420
GLY A 165
TYR A 182
 None
 1.28A 3lp0A-4jndA:
undetectable		 3lp0A-4jndA:
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.
4lec PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21A

(Homo sapiens) 		PF10294
(Methyltransf_16) 		5 LEU A 139
VAL A  79
VAL A  90
GLY A  80
LEU A 170
 None
 1.49A 3lp0A-4lecA:
undetectable		 3lp0A-4lecA:
16.99
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.
4m5p NADPH DEHYDROGENASE

(Scheffersomyces
stipitis) 		PF00724
(Oxidored_FMN) 		5 LEU A 165
VAL A 132
GLY A 116
LEU A 195
TYR A 170
 None
 1.46A 3lp0A-4m5pA:
undetectable		 3lp0A-4m5pA:
21.51
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.
4p6b EST-Y29

(metagenome) 		PF00144
(Beta-lactamase) 		5 LEU A 240
VAL A  39
VAL A  13
GLY A  38
TYR A 222
 None
 1.39A 3lp0A-4p6bA:
undetectable		 3lp0A-4p6bA:
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		5 LEU A  91
VAL A 220
VAL A  82
TRP A  72
LEU A 229
 None
 1.48A 3lp0A-4q2cA:
1.1		 3lp0A-4q2cA:
19.98
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.
4wjs RSA4

(Chaetomium
thermophilum) 		PF00400
(WD40) 		5 LEU A 442
VAL A 449
GLY A 423
TRP A 454
LEU A 430
 None
 1.36A 3lp0A-4wjsA:
undetectable		 3lp0A-4wjsA:
22.62
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.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 LEU A 403
VAL A 319
VAL A 321
TYR A 500
GLY A 320
 None
 1.34A 3lp0A-4xiiA:
1.7		 3lp0A-4xiiA:
21.73
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.
5aff SYMPORTIN 1

(Chaetomium
thermophilum) 		no annotation 5 LEU A 209
VAL A 256
VAL A 219
GLY A 220
LEU A 235
 None
 1.28A 3lp0A-5affA:
undetectable		 3lp0A-5affA:
22.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c24 HIV-1 REVERSE
TRANSCRIPTASE, P51
SUBUNIT

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 VAL B 106
VAL B 179
TYR B 181
TYR B 188
GLY B 190
 None
 0.61A 3lp0A-5c24B:
8.0		 3lp0A-5c24B:
96.46
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.
5e4v NUCLEOPROTEIN,PHOSPH
OPROTEIN

(Measles
morbillivirus) 		PF00973
(Paramyxo_ncap)
PF13825
(Paramyxo_PNT) 		5 LEU A 345
VAL A 320
GLY A 257
LEU A 267
TYR A 342
 None
 1.26A 3lp0A-5e4vA:
undetectable		 3lp0A-5e4vA:
22.26
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.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 LEU H 154
VAL H  13
VAL H   4
TYR H 124
LEU H 146
 None
 1.03A 3lp0A-5fg9H:
undetectable		 3lp0A-5fg9H:
19.32
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.
5fol LEUCYL-TRNA
SYNTHETASE

(Cryptosporidium
muris) 		no annotation 5 VAL A 362
TYR A 354
TYR A 358
GLY A 360
TYR A 539
 None
 1.44A 3lp0A-5folA:
undetectable		 3lp0A-5folA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kuf GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 LEU A 435
VAL A 735
GLY A 734
LEU A 760
TYR A 431
 None
 0.95A 3lp0A-5kufA:
undetectable		 3lp0A-5kufA:
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.
5mg5 HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Pseudomonas
protegens) 		no annotation 5 LEU A 288
VAL A 240
TYR A 238
GLY A 283
TYR A  11
 None
 1.41A 3lp0A-5mg5A:
undetectable		 3lp0A-5mg5A:
10.12
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.
5nmy LYSOSTAPHIN

(Staphylococcus
simulans) 		no annotation 5 LEU A 361
VAL A 282
TYR A 327
GLY A 281
LEU A 258
 None
 1.42A 3lp0A-5nmyA:
undetectable		 3lp0A-5nmyA:
8.35
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.
5tlq THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBA

(Pseudomonas
aeruginosa) 		PF01323
(DSBA) 		5 LEU A 144
VAL A 157
VAL A  19
GLY A 160
LEU A  63
 1YO  A 201 ( 4.2A)
None
None
None
1YO  A 201 ( 4.0A)
 1.26A 3lp0A-5tlqA:
undetectable		 3lp0A-5tlqA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u7w APYRASE

(Trifolium
repens) 		PF01150
(GDA1_CD39) 		5 LEU A 320
VAL A 308
VAL A 311
GLY A 309
LEU A 325
 None
 1.47A 3lp0A-5u7wA:
3.1		 3lp0A-5u7wA:
22.80
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.
5xbp 3NT OXYGENASE ALPHA
SUBUNIT

(Diaphorobacter
sp. DS2) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 VAL A   7
TYR A 411
TYR A 415
GLY A  11
LEU A 381
 None
 1.49A 3lp0A-5xbpA:
1.1		 3lp0A-5xbpA:
20.42