SIMILAR PATTERNS OF AMINO ACIDS FOR 3TOP_B_ACRB1_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.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		4 PRO A 245
ILE A 265
TRP A 359
PHE A 499
 None
 1.46A 3topB-1iduA:
0.0		 3topB-1iduA:
20.59
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.
2b2n TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		no annotation 4 PRO A 213
ILE A 257
TRP A  73
PHE A 122
 None
 1.25A 3topB-2b2nA:
undetectable		 3topB-2b2nA:
17.63
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.
2eid GALACTOSE OXIDASE

(Fusarium
graminearum) 		PF00754
(F5_F8_type_C)
PF01344
(Kelch_1)
PF09118
(DUF1929) 		4 PRO A   4
ILE A 140
TRP A 105
PHE A 146
 None
 1.32A 3topB-2eidA:
0.0		 3topB-2eidA:
22.17
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		4 PRO A 213
ILE A 257
TRP A  73
PHE A 122
 None
 1.17A 3topB-2eyqA:
0.1		 3topB-2eyqA:
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.
2pe4 HYALURONIDASE-1

(Homo sapiens) 		PF01630
(Glyco_hydro_56) 		4 PRO A 249
ILE A 225
TRP A 141
PHE A 212
 None
 1.24A 3topB-2pe4A:
3.9		 3topB-2pe4A:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		4 ILE A 182
TRP A 269
TRP A 266
PHE A 239
 None
 1.27A 3topB-2ri6A:
undetectable		 3topB-2ri6A:
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.
2vyc BIODEGRADATIVE
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 PRO A 478
ILE A 359
TRP A 518
PHE A 495
 None
 1.30A 3topB-2vycA:
1.5		 3topB-2vycA:
20.91
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.
2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		4 PRO A 291
ILE A 256
TRP A 242
TRP A 238
 None
 1.31A 3topB-2xd3A:
undetectable		 3topB-2xd3A:
17.53
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 4 PRO A 570
ILE A 493
TRP A 548
PHE A  59
 None
 1.50A 3topB-2zuxA:
undetectable		 3topB-2zuxA:
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.
3hjh TRANSCRIPTION-REPAIR
-COUPLING FACTOR

(Escherichia
coli) 		no annotation 4 PRO A 213
ILE A 257
TRP A  73
PHE A 122
 None
 1.24A 3topB-3hjhA:
undetectable		 3topB-3hjhA:
19.43
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.
3jq0 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 PRO A 391
ILE A  71
TRP A 288
PHE A 264
 None
 1.41A 3topB-3jq0A:
0.2		 3topB-3jq0A:
19.23
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 PRO A 100
ILE A 437
TRP A 428
PHE A 297
 None
 1.19A 3topB-3w6qA:
undetectable		 3topB-3w6qA:
20.56
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.
4aqb MANNAN-BINDING
LECTIN SERINE
PROTEASE 1

(Homo sapiens) 		PF00084
(Sushi)
PF00431
(CUB)
PF14670
(FXa_inhibition) 		4 PRO A 265
ILE A 216
TRP A 290
PHE A 259
 None
 1.47A 3topB-4aqbA:
undetectable		 3topB-4aqbA:
17.23
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.
4e0q COP9 SIGNALOSOME
COMPLEX SUBUNIT 6

(Drosophila
melanogaster) 		PF01398
(JAB) 		4 PRO A 178
ILE A  64
TRP A 137
PHE A 182
 None
 1.47A 3topB-4e0qA:
undetectable		 3topB-4e0qA:
10.09
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.
4n77 UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		PF09704
(Cas_Cas5d) 		4 PRO A 210
ILE A   6
TRP A  15
PHE A 214
 None
 1.32A 3topB-4n77A:
undetectable		 3topB-4n77A:
13.41
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.
4up7 LYSINE--TRNA LIGASE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 PRO A 445
ILE A 537
TRP A 533
PHE A 375
 None
 1.16A 3topB-4up7A:
undetectable		 3topB-4up7A:
23.25
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.
4ye4 HEAVY CHAIN HUMAN
ANTIBODY HJ16
LIGHT CHAIN OF HJ16

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 PRO L 103
ILE H 101
TRP L  56
PHE H 114
 None
 1.27A 3topB-4ye4L:
undetectable		 3topB-4ye4L:
13.04
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.
5c70 GLUCURONIDASE

(Aspergillus
oryzae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 PRO A 441
ILE A 348
TRP A 242
PHE A 283
 None
 1.04A 3topB-5c70A:
9.5		 3topB-5c70A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 ILE A 444
TRP A 554
TRP A 630
PHE A 667
 TRS  A1001 ( 4.1A)
TRS  A1001 (-4.9A)
None
None
 0.37A 3topB-5dkxA:
37.5		 3topB-5dkxA:
27.47
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 ILE A 452
TRP A 562
TRP A 637
PHE A 674
 5GF  A1021 (-3.6A)
5GF  A1021 (-4.6A)
5GF  A1021 ( 4.6A)
None
 0.35A 3topB-5hjrA:
41.9		 3topB-5hjrA:
27.35
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.
5ik8 LAMININ SUBUNIT
ALPHA-2

(Mus musculus) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		4 PRO A2753
ILE A3084
TRP A3021
PHE A2931
 None
None
None
EDO  A4009 ( 4.4A)
 1.19A 3topB-5ik8A:
undetectable		 3topB-5ik8A:
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.
5tu0 LMO2125 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		4 PRO A 288
ILE A 253
TRP A 239
TRP A 234
 None
None
None
PGE  A 503 (-3.8A)
 1.35A 3topB-5tu0A:
undetectable		 3topB-5tu0A:
19.35
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.
5uam ULVAN LYASE-PL25

(Pseudoalteromonas
sp. PLSV) 		PF15892
(BNR_4) 		4 PRO A 227
ILE A 257
TRP A 297
PHE A 203
 None
 1.35A 3topB-5uamA:
0.2		 3topB-5uamA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uuj ALKZ

(Streptomyces
sahachiroi) 		PF06224
(HTH_42) 		4 PRO A  84
ILE A 181
TRP A  73
PHE A 190
 None
 1.08A 3topB-5uujA:
undetectable		 3topB-5uujA:
17.72
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.
6bo6 -

(-) 		no annotation 4 PRO A 453
ILE A 359
TRP A 259
PHE A 294
 None
 1.21A 3topB-6bo6A:
9.0		 3topB-6bo6A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d1q RNA
PYROPHOSPHOHYDROLASE

(Escherichia
coli) 		no annotation 4 PRO B 132
ILE B 111
TRP B  33
PHE B  35
 None
 1.00A 3topB-6d1qB:
undetectable		 3topB-6d1qB:
7.02
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.
6dip NOCTURNIN

(Homo sapiens) 		no annotation 4 PRO A 233
ILE A 179
TRP A 172
PHE A 216
 None
 1.44A 3topB-6dipA:
0.1		 3topB-6dipA:
6.39