SIMILAR PATTERNS OF AMINO ACIDS FOR 2F6D_A_ACRA995_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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		5 ALA A 319
TRP A 341
ARG A 343
ASP A 344
GLY A 392
 ACR  A 700 (-3.2A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
None
 0.59A 2f6dA-1lf9A:
29.5		 2f6dA-1lf9A:
23.21
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		10 ALA A 319
TYR A 337
TRP A 341
ARG A 343
ASP A 344
GLU A 439
ARG A 575
TYR A 581
TRP A 599
GLU A 636
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
None
None
 0.30A 2f6dA-1lf9A:
29.5		 2f6dA-1lf9A:
23.21
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		5 ALA A 319
TYR A 337
TRP A 390
TYR A 581
GLU A 636
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 ( 3.8A)
ACR  A 700 (-3.7A)
None
 0.87A 2f6dA-1lf9A:
29.5		 2f6dA-1lf9A:
23.21
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 ALA A 307
TRP A 330
ARG A 332
ASP A 333
GLY A 382
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
None
 0.70A 2f6dA-1ulvA:
31.1		 2f6dA-1ulvA:
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		10 ALA A 307
TYR A 326
TRP A 330
ARG A 332
ASP A 333
GLU A 431
ARG A 567
TYR A 573
TRP A 591
GLU A 628
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.9A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
None
None
 0.49A 2f6dA-1ulvA:
31.1		 2f6dA-1ulvA:
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.
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00121
(TIM) 		5 ALA A 182
TYR A 165
ASP A 181
GLY A 174
GLU A 128
 None
 1.44A 2f6dA-2btmA:
undetectable		 2f6dA-2btmA:
20.61
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.
2csd TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 ALA A 243
ARG A 151
ASP A 153
GLU A  74
ARG A 102
 None
 1.36A 2f6dA-2csdA:
undetectable		 2f6dA-2csdA:
22.24
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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		12 ALA A  38
TYR A  47
TRP A  51
ARG A  53
ASP A  54
TRP A 120
GLY A 121
GLU A 180
ARG A 309
TYR A 315
TRP A 321
GLU A 404
 BTB  A 620 ( 3.8A)
BTB  A 620 (-3.9A)
BTB  A 620 (-3.8A)
BTB  A 620 (-3.7A)
BTB  A 620 (-2.8A)
None
None
None
BTB  A 620 (-3.6A)
BTB  A 620 ( 4.9A)
None
BTB  A 620 (-4.0A)
 0.35A 2f6dA-2vn7A:
45.4		 2f6dA-2vn7A:
29.78
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.
2wpg AMYLOSUCRASE OR
ALPHA AMYLASE

(Xanthomonas
campestris) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 TYR A 115
TRP A 525
GLY A 104
TYR A  95
GLU A 496
 None
 1.33A 2f6dA-2wpgA:
undetectable		 2f6dA-2wpgA:
22.65
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.
3d5e PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE

(Homo sapiens) 		PF03403
(PAF-AH_p_II) 		5 TYR A 103
TRP A 203
GLY A 199
ARG A 180
GLU A 178
 None
 1.35A 2f6dA-3d5eA:
undetectable		 2f6dA-3d5eA:
21.83
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.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 TYR A 125
ARG A 538
ASP A 535
GLY A 120
GLU A 113
 None
 1.29A 2f6dA-3dkhA:
undetectable		 2f6dA-3dkhA:
21.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		12 ALA A  63
TYR A  72
TRP A  76
ARG A  78
ASP A  79
TRP A 144
GLY A 145
GLU A 204
ARG A 329
TYR A 335
TRP A 341
GLU A 424
 TRS  A 701 ( 3.8A)
TRS  A 701 (-4.5A)
TRS  A 701 (-3.8A)
TRS  A 701 (-3.8A)
TRS  A 701 (-2.8A)
None
None
GOL  A 801 (-3.6A)
GOL  A 801 (-3.3A)
GOL  A 801 ( 4.1A)
None
None
 0.24A 2f6dA-3eqaA:
46.5		 2f6dA-3eqaA:
37.28
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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		5 ALA A 109
TYR A 281
GLY A 130
ARG A 101
GLU A 233
 None
 1.15A 2f6dA-3hdjA:
undetectable		 2f6dA-3hdjA:
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.
3on6 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		5 TRP A 107
ARG A 109
ASP A 110
TRP A 403
GLU A 439
 EDO  A 492 (-3.3A)
None
EDO  A 492 (-3.0A)
None
None
 0.77A 2f6dA-3on6A:
24.7		 2f6dA-3on6A:
22.56
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.
3q2r GLIOMA
PATHOGENESIS-RELATED
PROTEIN 1

(Homo sapiens) 		PF00188
(CAP) 		5 ALA A  52
ARG A  45
TRP A 143
GLY A 179
TYR A 124
 None
 1.34A 2f6dA-3q2rA:
undetectable		 2f6dA-3q2rA:
18.14
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.
3wkh CELLOBIOSE
2-EPIMERASE

(Rhodothermus
marinus) 		PF07221
(GlcNAc_2-epim) 		5 ALA A 206
TRP A 265
GLY A 330
GLU A 337
ARG A 280
 None
 1.01A 2f6dA-3wkhA:
20.5		 2f6dA-3wkhA:
22.84
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.
4kfz LMO-2

(Homo sapiens) 		PF00412
(LIM) 		5 TYR A  41
GLY A  68
GLU A  66
ARG A  63
GLU A  52
 None
 1.18A 2f6dA-4kfzA:
undetectable		 2f6dA-4kfzA:
14.85
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.
4m8d PUTATIVE
UNCHARACTERIZED
PROTEIN

(Labrenzia
aggregata) 		PF04199
(Cyclase) 		5 ALA A 126
TYR A 181
GLY A 189
GLU A 143
GLU A 133
 None
 1.30A 2f6dA-4m8dA:
undetectable		 2f6dA-4m8dA:
20.20
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.
4wva UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		PF01204
(Trehalase) 		6 TYR A  28
TRP A  32
ASP A  35
TYR A 349
TRP A 355
GLU A 393
 TRS  A 501 (-3.7A)
TRS  A 501 (-4.5A)
TRS  A 501 (-3.0A)
TRS  A 501 (-4.3A)
None
TRS  A 501 (-3.7A)
 1.17A 2f6dA-4wvaA:
18.9		 2f6dA-4wvaA:
21.90
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.
5bn4 NEQ263
V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		5 ALA A 378
GLU A 327
ARG A 294
TYR B 256
GLU A 252
 None
None
None
None
MG  A 602 (-3.6A)
 1.22A 2f6dA-5bn4A:
undetectable		 2f6dA-5bn4A:
21.62
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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		5 ALA A1062
ARG A1077
ASP A1078
TRP A1430
GLU A1492
 None
None
None
None
CEX  A2002 ( 4.9A)
 0.90A 2f6dA-5d0fA:
17.1		 2f6dA-5d0fA:
17.26
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.
5goo ALKALINE INVERTASE

(Nostoc sp. PCC
7120) 		PF12899
(Glyco_hydro_100) 		6 ALA A  36
TYR A  47
ARG A  53
ASP A  54
TYR A 370
GLU A 414
 GOL  A 502 ( 4.2A)
FRU  A 501 (-4.3A)
GOL  A 502 (-4.4A)
GOL  A 502 (-2.9A)
FRU  A 501 (-4.8A)
GOL  A 502 ( 4.9A)
 1.18A 2f6dA-5gooA:
21.7		 2f6dA-5gooA:
22.95
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.
5goo ALKALINE INVERTASE

(Nostoc sp. PCC
7120) 		PF12899
(Glyco_hydro_100) 		6 ALA A  36
TYR A  47
ARG A  53
ASP A  54
TYR A 370
TRP A 376
 GOL  A 502 ( 4.2A)
FRU  A 501 (-4.3A)
GOL  A 502 (-4.4A)
GOL  A 502 (-2.9A)
FRU  A 501 (-4.8A)
None
 1.14A 2f6dA-5gooA:
21.7		 2f6dA-5gooA:
22.95
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.
5npu ANC27

(synthetic
construct) 		no annotation 5 ALA A 387
ARG A  62
GLY A 218
GLU A 226
ARG A 406
 None
 1.35A 2f6dA-5npuA:
undetectable		 2f6dA-5npuA:
10.16
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.
5oie -

(-) 		no annotation 5 ALA A  31
TRP A  40
ASP A  43
TYR A 375
TRP A 381
 GOL  A 501 ( 4.0A)
GOL  A 501 ( 4.0A)
GOL  A 501 (-2.9A)
None
None
 0.97A 2f6dA-5oieA:
17.4		 2f6dA-5oieA:
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.
5oie -

(-) 		no annotation 5 ALA A  31
TYR A  36
ASP A  43
TYR A 375
TRP A 381
 GOL  A 501 ( 4.0A)
GOL  A 501 ( 3.7A)
GOL  A 501 (-2.9A)
None
None
 1.00A 2f6dA-5oieA:
17.4		 2f6dA-5oieA:
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.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 ALA A  37
ARG A  54
ASP A  55
TYR A 371
GLU A 415
 GOL  A 501 ( 3.8A)
GOL  A 501 (-4.1A)
GOL  A 501 (-2.7A)
None
None
 1.30A 2f6dA-5z73A:
20.4		 2f6dA-5z73A:
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.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 ALA A  37
ARG A  54
ASP A  55
TYR A 371
TRP A 377
 GOL  A 501 ( 3.8A)
GOL  A 501 (-4.1A)
GOL  A 501 (-2.7A)
None
None
 1.03A 2f6dA-5z73A:
20.4		 2f6dA-5z73A:
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.
6c9m N-ALPHA-ACETYLTRANSF
ERASE 15, NATA
AUXILIARY SUBUNIT

(Homo sapiens) 		no annotation 5 ALA A 808
ASP A 811
GLU A 680
ARG A 714
GLU A 710
 None
 1.40A 2f6dA-6c9mA:
2.3		 2f6dA-6c9mA:
9.57
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 12 ALA A  66
TYR A  75
TRP A  79
ARG A  81
ASP A  82
TRP A 154
GLY A 155
GLU A 214
ARG A 341
TYR A 347
TRP A 353
GLU A 436
 B3P  A 652 ( 3.9A)
B3P  A 652 (-4.1A)
B3P  A 652 ( 4.1A)
B3P  A 652 (-4.0A)
B3P  A 652 (-2.8A)
B3P  A 652 (-4.3A)
None
B3P  A 652 (-3.4A)
B3P  A 652 (-2.8A)
B3P  A 652 ( 3.8A)
None
B3P  A 652 ( 4.6A)
 0.44A 2f6dA-6fhvA:
44.5		 2f6dA-6fhvA:
11.94
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 12 ALA A  67
TYR A  76
TRP A  80
ARG A  82
ASP A  83
TRP A 149
GLY A 150
GLU A 209
ARG A 335
TYR A 341
TRP A 347
GLU A 432
 ACR  A 801 (-3.5A)
ACR  A 801 (-4.3A)
ACR  A 801 (-3.3A)
ACR  A 801 (-4.0A)
ACR  A 801 (-2.7A)
ACR  A 801 (-3.7A)
ACR  A 801 (-3.1A)
ACR  A 801 (-3.9A)
ACR  A 801 (-2.8A)
ACR  A 801 ( 3.9A)
None
ACR  A 801 (-4.4A)
 0.35A 2f6dA-6fhwA:
45.3		 2f6dA-6fhwA:
10.57
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 12 ALA A  63
TYR A  72
TRP A  76
ARG A  78
ASP A  79
TRP A 144
GLY A 145
GLU A 204
ARG A 329
TYR A 335
TRP A 341
GLU A 424
 None
 0.24A 2f6dA-6frvA:
46.0		 2f6dA-6frvA:
11.60