SIMILAR PATTERNS OF AMINO ACIDS FOR 3WEL_A_ACRA1001_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.
1dms DMSO REDUCTASE

(Rhodobacter
capsulatus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 ILE A 154
ILE A 220
TRP A 184
MET A 324
 None
PGD  A 783 (-4.7A)
None
None
 1.49A 3welA-1dmsA:
undetectable		 3welA-1dmsA:
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.
1kl7 THREONINE SYNTHASE

(Saccharomyces
cerevisiae) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		4 ILE A  84
ILE A  41
MET A 251
TRP A  53
 None
 1.41A 3welA-1kl7A:
undetectable		 3welA-1kl7A:
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.
1uyp BETA-FRUCTOSIDASE

(Thermotoga
maritima) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ILE A 404
TRP A  14
TRP A 256
TRP A 273
 None
 1.39A 3welA-1uypA:
undetectable		 3welA-1uypA:
18.43
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.
1wl1 OCTOPRENYL-DIPHOSPHA
TE SYNTHASE

(Thermotoga
maritima) 		PF00348
(polyprenyl_synt) 		4 ILE A 206
TRP A 251
ILE A 215
MET A 212
 None
 0.97A 3welA-1wl1A:
undetectable		 3welA-1wl1A:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xa6 BETA2-CHIMAERIN

(Homo sapiens) 		PF00017
(SH2)
PF00130
(C1_1)
PF00620
(RhoGAP) 		4 ILE A 150
TRP A 234
ILE A 134
TRP A 225
 None
 1.15A 3welA-1xa6A:
undetectable		 3welA-1xa6A:
18.38
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.
1yhu HEMOGLOBIN A1 CHAIN

(Riftia
pachyptila) 		PF00042
(Globin) 		4 ILE A 114
ILE A  65
TRP A  34
TRP A  16
 None
 1.41A 3welA-1yhuA:
undetectable		 3welA-1yhuA:
9.90
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.
2aey FRUCTAN
1-EXOHYDROLASE IIA

(Cichorium
intybus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 ILE A 452
TRP A  19
TRP A 292
TRP A 307
 None
 1.28A 3welA-2aeyA:
undetectable		 3welA-2aeyA:
20.02
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.
2dlx UBX
DOMAIN-CONTAINING
PROTEIN 7

(Homo sapiens) 		PF13899
(Thioredoxin_7) 		4 ILE A  49
ILE A  73
MET A  46
TRP A 119
 None
 1.23A 3welA-2dlxA:
undetectable		 3welA-2dlxA:
10.96
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.
2dr1 386AA LONG
HYPOTHETICAL SERINE
AMINOTRANSFERASE

(Pyrococcus
horikoshii) 		PF00266
(Aminotran_5) 		4 ILE A 365
ILE A 273
TRP A 282
MET A 285
 None
 1.45A 3welA-2dr1A:
undetectable		 3welA-2dr1A:
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 ILE A 213
TRP A 284
MET A 321
TRP A 413
 None
None
BOG  A2000 ( 4.0A)
None
 0.48A 3welA-2g3nA:
40.9		 3welA-2g3nA:
26.82
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.
2jir PERIPLASMIC NITRATE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		4 ILE A 329
TRP A 306
ILE A 310
MET A 229
 None
 1.28A 3welA-2jirA:
undetectable		 3welA-2jirA:
21.27
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.
2wxu PHOSPHOLIPASE C

(Clostridium
perfringens) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		4 ILE A 262
ILE A 318
MET A 324
TRP A 290
 None
 1.45A 3welA-2wxuA:
undetectable		 3welA-2wxuA:
17.48
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.
2xrc HUMAN COMPLEMENT
FACTOR I

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00089
(Trypsin)
PF00530
(SRCR) 		4 ILE A 352
ILE A 267
TRP A 438
TRP A 523
 None
 1.26A 3welA-2xrcA:
undetectable		 3welA-2xrcA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmn PUTATIVE HYDROLASE

(Chloroflexus
aurantiacus) 		PF10103
(Zincin_2) 		4 ILE A 293
ILE A 315
TRP A 206
MET A 301
 None
 1.24A 3welA-3cmnA:
undetectable		 3welA-3cmnA:
18.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 ILE A 328
TRP A 406
MET A 444
TRP A 539
 3CU  A1001 ( 3.9A)
None
3CU  A1001 ( 3.9A)
3CU  A1001 (-4.6A)
 0.45A 3welA-3cttA:
48.1		 3welA-3cttA:
36.56
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.
3f65 CHAPERONE PROTEIN
FAEE

(Escherichia
coli) 		PF00345
(PapD_N) 		4 ILE A 149
TRP A  84
ILE A  40
MET A 174
 None
 1.22A 3welA-3f65A:
undetectable		 3welA-3f65A:
12.97
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.
3k9y 1,25-DIHYDROXYVITAMI
N D(3)
24-HYDROXYLASE,
MITOCHONDRIAL

(Rattus
norvegicus) 		PF00067
(p450) 		4 ILE A 239
ILE A 131
TRP A 134
MET A 245
 None
 1.30A 3welA-3k9yA:
undetectable		 3welA-3k9yA:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 TRP A 327
ILE A 356
TRP A 435
MET A 473
TRP A 568
 TRS  A6001 ( 3.8A)
TRS  A6001 ( 4.0A)
TRS  A6001 ( 4.6A)
TRS  A6001 ( 3.7A)
None
 0.32A 3welA-3lppA:
51.9		 3welA-3lppA:
35.98
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.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis) 		PF01804
(Penicil_amidase) 		4 ILE B 226
TRP A 139
ILE B  54
TRP B 154
 None
 1.35A 3welA-3ml0B:
2.0		 3welA-3ml0B:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		4 ILE A 314
TRP A 114
ILE A 111
TRP A 344
 None
 1.28A 3welA-3mpnA:
undetectable		 3welA-3mpnA:
20.79
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.
3mzs CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME

(Bos taurus) 		PF00067
(p450) 		4 ILE A 196
ILE A  85
TRP A  88
MET A 202
 None
None
HC9  A 501 (-4.7A)
None
 1.29A 3welA-3mzsA:
undetectable		 3welA-3mzsA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3na0 CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME,
MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		4 ILE A 234
ILE A 123
TRP A 126
MET A 240
 None
 1.31A 3welA-3na0A:
undetectable		 3welA-3na0A:
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.
3njc YSLB PROTEIN

(Bacillus
subtilis) 		PF10702
(DUF2507) 		4 TRP A  58
ILE A 115
TRP A 142
MET A 144
 None
 1.33A 3welA-3njcA:
undetectable		 3welA-3njcA:
10.24
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.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 TRP A 169
ILE A 198
TRP A 271
MET A 308
TRP A 417
 ACR  A 664 (-3.7A)
ACR  A 664 (-3.5A)
ACR  A 664 (-4.6A)
ACR  A 664 ( 3.8A)
ACR  A 664 (-4.6A)
 0.43A 3welA-3pocA:
36.5		 3welA-3pocA:
26.07
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ILE A 447
TRP A 533
ILE A 536
TRP A 489
 None
 1.18A 3welA-3rimA:
2.5		 3welA-3rimA:
22.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 ILE A1280
TRP A1355
MET A1421
TRP A1523
 ACR  A   1 (-4.1A)
ACR  A   1 (-4.4A)
ACR  A   1 (-3.5A)
ACR  A   1 (-4.5A)
 0.34A 3welA-3topA:
45.0		 3welA-3topA:
34.12
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.
4aqs LAMININ SUBUNIT
BETA-1

(Mus musculus) 		PF00053
(Laminin_EGF)
PF00055
(Laminin_N) 		4 ILE A 206
TRP A 112
ILE A  96
MET A 265
 None
 1.46A 3welA-4aqsA:
undetectable		 3welA-4aqsA:
20.48
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.
4er8 TNPAREP FOR PROTEIN

(Escherichia
coli) 		no annotation 4 ILE A  93
TRP A  64
TRP A  53
MET A  60
 None
 1.38A 3welA-4er8A:
undetectable		 3welA-4er8A:
11.43
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.
4iuw NEUTRAL
ENDOPEPTIDASE

(Lactobacillus
rhamnosus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 ILE A  89
ILE A 141
TRP A 162
TRP A 266
 None
 1.29A 3welA-4iuwA:
undetectable		 3welA-4iuwA:
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.
4k3z D-ERYTHRULOSE
4-PHOSPHATE
DEHYDROGENASE

(Brucella
melitensis) 		no annotation 4 ILE A 197
ILE A 119
MET A 162
TRP A 159
 None
 1.46A 3welA-4k3zA:
2.0		 3welA-4k3zA:
17.15
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.
4p9a POLYMERASE PA

(Influenza A
virus) 		PF00603
(Flu_PA) 		4 ILE A 483
ILE A 545
TRP A 338
MET A 523
 None
 1.49A 3welA-4p9aA:
undetectable		 3welA-4p9aA:
18.80
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.
4q3l MGS-M2

(unidentified) 		PF00561
(Abhydrolase_1) 		4 ILE A 154
ILE A  28
TRP A  39
MET A  34
 None
 1.39A 3welA-4q3lA:
undetectable		 3welA-4q3lA:
15.37
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.
4rbn SUCROSE
SYNTHASE:GLYCOSYL
TRANSFERASES GROUP 1

(Nitrosomonas
europaea) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		4 ILE A 510
ILE A 269
MET A 750
TRP A 743
 None
 1.43A 3welA-4rbnA:
2.4		 3welA-4rbnA:
22.02
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.
4ruh CYTOSOLIC
NON-SPECIFIC
DIPEPTIDASE

(Homo sapiens) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ILE A 457
ILE A 206
MET A 462
TRP A 140
 None
 1.26A 3welA-4ruhA:
undetectable		 3welA-4ruhA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cw8 HTH-TYPE
TRANSCRIPTIONAL
REPRESSOR KSTR

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N) 		4 ILE A 156
ILE A  75
MET A  96
TRP A 164
 None
None
None
55X  A 201 (-4.0A)
 0.99A 3welA-5cw8A:
undetectable		 3welA-5cw8A:
12.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		5 TRP A 415
ILE A 444
TRP A 517
MET A 557
TRP A 630
 None
TRS  A1001 ( 4.1A)
TRS  A1001 ( 4.9A)
TRS  A1001 (-3.5A)
None
 0.38A 3welA-5dkxA:
46.5		 3welA-5dkxA:
27.94
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.
5fuu HIV-1 ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 ILE A 371
TRP A 112
ILE A 108
MET A 475
 None
 1.42A 3welA-5fuuA:
undetectable		 3welA-5fuuA:
19.48
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.
5fyj GP120 ENV ECTODOMAIN

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 ILE G 272
ILE G 333
TRP G 338
MET G 341
 None
 1.11A 3welA-5fyjG:
undetectable		 3welA-5fyjG:
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.
5h9f CRISPR SYSTEM
CASCADE SUBUNIT CASA

(Escherichia
coli) 		PF09481
(CRISPR_Cse1) 		4 ILE A 226
TRP A  87
ILE A  58
TRP A 211
 None
 1.30A 3welA-5h9fA:
undetectable		 3welA-5h9fA:
20.58
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 TRP A 423
ILE A 452
TRP A 525
MET A 565
TRP A 637
 5GF  A1021 (-3.1A)
5GF  A1021 (-3.6A)
5GF  A1021 (-3.7A)
5GF  A1021 (-2.6A)
5GF  A1021 ( 4.6A)
 0.35A 3welA-5hjrA:
41.2		 3welA-5hjrA:
29.87
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.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		4 ILE A 196
TRP A 182
ILE A  92
TRP A 219
 None
 1.17A 3welA-5iq0A:
undetectable		 3welA-5iq0A:
18.56
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.
5lx8 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ILE A 423
ILE A 108
MET A 154
TRP A  54
 None
 1.18A 3welA-5lx8A:
undetectable		 3welA-5lx8A:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 4 TRP A 376
TRP A 481
MET A 519
TRP A 613
 ACR  A1015 ( 4.6A)
ACR  A1015 ( 4.6A)
ACR  A1015 (-3.3A)
ACR  A1015 (-4.8A)
 0.66A 3welA-5nn8A:
47.9		 3welA-5nn8A:
37.15
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.
5o32 COMPLEMENT FACTOR I

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00089
(Trypsin)
PF00530
(SRCR) 		4 ILE I 370
ILE D 285
TRP I 456
TRP I 541
 None
 1.45A 3welA-5o32I:
undetectable		 3welA-5o32I:
13.66
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.
5u84 ACID CERAMIDASE

(Balaenoptera
acutorostrata) 		no annotation 4 ILE A  76
ILE A  52
TRP A  62
MET A  66
 None
 1.46A 3welA-5u84A:
undetectable		 3welA-5u84A:
6.04
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.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ILE A 633
TRP A 799
ILE A 552
MET A 596
 None
 1.16A 3welA-5vywA:
8.7		 3welA-5vywA:
22.50
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.
5x1x MUTATOR MUTT PROTEIN

(Staphylococcus
aureus) 		PF00293
(NUDIX) 		4 ILE A 126
ILE A 102
TRP A 104
TRP A  33
 None
 1.44A 3welA-5x1xA:
undetectable		 3welA-5x1xA:
8.24