SIMILAR PATTERNS OF AMINO ACIDS FOR 6FHW_A_ACRA801_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) 		6 ALA A 319
TRP A 341
ARG A 343
ASP A 344
GLY A 392
TRP A 654
 ACR  A 700 (-3.2A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
None
None
 0.83A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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
ASP A 344
GLU A 435
TRP A 654
 ACR  A 700 (-3.2A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
None
None
 1.20A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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
TRP A 654
 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
 0.45A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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
GLU A 439
TYR A 581
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 ( 3.8A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.7A)
 0.91A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ALA N 105
ASP N 103
GLY N 405
GLU N 119
TRP N 161
 None
 1.19A 6fhwA-1nmbN:
undetectable		 6fhwA-1nmbN:
11.55
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		6 ALA A 307
TRP A 330
ARG A 332
ASP A 333
GLY A 382
TRP A 655
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
None
None
 0.90A 6fhwA-1ulvA:
33.7		 6fhwA-1ulvA:
6.85
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 ALA A 307
TRP A 330
ASP A 333
GLU A 427
TRP A 655
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
None
None
 1.29A 6fhwA-1ulvA:
33.7		 6fhwA-1ulvA:
6.85
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.
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
TRP A 655
 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
 0.47A 6fhwA-1ulvA:
33.7		 6fhwA-1ulvA:
6.85
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.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ALA A 111
ASP A 109
GLY A 411
GLU A 125
TRP A 167
 None
 1.19A 6fhwA-1v0zA:
undetectable		 6fhwA-1v0zA:
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.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ALA A 106
ASP A 104
GLY A 405
GLU A 120
TRP A 162
 None
None
None
ABW  A1000 (-3.7A)
None
 1.18A 6fhwA-1xogA:
undetectable		 6fhwA-1xogA:
12.66
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.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		12 ALA A  54
TYR A  63
TRP A  67
ARG A  69
ASP A  70
TRP A 139
GLY A 140
GLU A 211
ARG A 345
TYR A 351
TRP A 362
TRP A 473
 ACR  A 995 (-3.4A)
ACR  A 995 (-4.3A)
ACR  A 995 (-3.4A)
ACR  A 995 (-3.7A)
ACR  A 995 (-3.0A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.3A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.0A)
ACR  A 995 ( 3.7A)
None
None
 0.36A 6fhwA-2f6dA:
45.3		 6fhwA-2f6dA:
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.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 ALA A 474
TYR A 479
TRP A 499
GLY A 449
ARG A 460
 None
 1.26A 6fhwA-2hckA:
undetectable		 6fhwA-2hckA:
11.66
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.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 452
TYR A 457
TRP A 477
GLY A 427
ARG A 438
 None
 1.20A 6fhwA-2hk5A:
undetectable		 6fhwA-2hk5A:
14.07
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.
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
TRP A 421
 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
None
 0.46A 6fhwA-2vn7A:
57.8		 6fhwA-2vn7A:
9.38
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.
3cze SUCROSE HYDROLASE

(Xanthomonas
citri) 		PF00128
(Alpha-amylase) 		5 ALA A 527
TYR A 114
TRP A 524
GLY A 103
TYR A  94
 None
 1.49A 6fhwA-3czeA:
undetectable		 6fhwA-3czeA:
9.15
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.
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
TRP A 441
 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
 0.42A 6fhwA-3eqaA:
61.7		 6fhwA-3eqaA:
11.99
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.
3nxl GLUCARATE
DEHYDRATASE

(Burkholderia
lata) 		PF13378
(MR_MLE_C) 		5 ALA A 332
TRP A 356
GLY A 380
GLU A 158
TRP A 315
 None
 1.33A 6fhwA-3nxlA:
undetectable		 6fhwA-3nxlA:
10.11
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
 1.25A 6fhwA-3q2rA:
undetectable		 6fhwA-3q2rA:
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.
3ubr CYTOCHROME C-552

(Shewanella
oneidensis) 		PF02335
(Cytochrom_C552) 		5 ASP A  44
GLY A 164
GLU A  36
ARG A  38
TYR A 470
 None
 1.17A 6fhwA-3ubrA:
undetectable		 6fhwA-3ubrA:
10.26
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.
3zfx EPHRIN TYPE-B
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 836
TYR A 841
TRP A 861
GLY A 811
TRP A 826
 None
 1.44A 6fhwA-3zfxA:
undetectable		 6fhwA-3zfxA:
13.51
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.
5goo ALKALINE INVERTASE

(Nostoc sp. PCC
7120) 		PF12899
(Glyco_hydro_100) 		5 ALA A  36
TYR A  47
ARG A  53
ASP A  54
TRP A 376
 GOL  A 502 ( 4.2A)
FRU  A 501 (-4.3A)
GOL  A 502 (-4.4A)
GOL  A 502 (-2.9A)
None
 0.90A 6fhwA-5gooA:
22.9		 6fhwA-5gooA:
11.50
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.
5goo ALKALINE INVERTASE

(Nostoc sp. PCC
7120) 		PF12899
(Glyco_hydro_100) 		5 ALA A  36
TYR A  47
ASP A  54
TYR A 370
TRP A 376
 GOL  A 502 ( 4.2A)
FRU  A 501 (-4.3A)
GOL  A 502 (-2.9A)
FRU  A 501 (-4.8A)
None
 1.06A 6fhwA-5gooA:
22.9		 6fhwA-5gooA:
11.50
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.
5oie -

(-) 		no annotation 6 ALA A  31
TYR A  36
TRP A  40
ASP A  43
TYR A 375
TRP A 381
 GOL  A 501 ( 4.0A)
GOL  A 501 ( 3.7A)
GOL  A 501 ( 4.0A)
GOL  A 501 (-2.9A)
None
None
 1.03A 6fhwA-5oieA:
18.8		 6fhwA-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.
5xcb PROBABLE SURFACE
PROTEIN

(Clostridium
perfringens) 		no annotation 5 ALA A  66
TYR A  67
ASP A  65
GLY A 162
TYR A 167
 None
 1.30A 6fhwA-5xcbA:
2.2		 6fhwA-5xcbA:
20.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
TRP A 453
 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
None
 0.44A 6fhwA-6fhvA:
59.3		 6fhwA-6fhvA:
35.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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
TRP A 441
 None
 0.33A 6fhwA-6frvA:
60.8		 6fhwA-6frvA:
41.25