SIMILAR PATTERNS OF AMINO ACIDS FOR 1LF9_A_ACRA700_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.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 ALA A 276
ARG A 280
ASP A 278
GLU A 547
ARG A 519
 None
 1.34A 1lf9A-1ot5A:
undetectable		 1lf9A-1ot5A:
21.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		6 ALA A 307
GLN A 384
GLU A 431
ASN A 513
ARG A 567
TYR A 573
 ACR  A3000 (-3.4A)
None
ACR  A3000 (-3.5A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
 1.20A 1lf9A-1ulvA:
53.0		 1lf9A-1ulvA:
30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		11 ALA A 307
TYR A 326
TRP A 330
ARG A 332
ASP A 333
GLN A 370
GLU A 431
ASN A 513
ARG A 567
TYR A 573
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 (-3.5A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
None
 0.46A 1lf9A-1ulvA:
53.0		 1lf9A-1ulvA:
30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 ARG A 332
GLN A 426
ASN A 513
ARG A 567
TYR A 573
 ACR  A3000 (-3.7A)
ACR  A3000 ( 3.8A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
 1.34A 1lf9A-1ulvA:
53.0		 1lf9A-1ulvA:
30.25
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.
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
 1.39A 1lf9A-2csdA:
undetectable		 1lf9A-2csdA:
21.49
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.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		9 ALA A  54
TYR A  63
TRP A  67
ARG A  69
ASP A  70
GLU A 211
ARG A 345
TYR A 351
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 (-3.0A)
ACR  A 995 ( 3.7A)
None
 0.32A 1lf9A-2f6dA:
29.6		 1lf9A-2f6dA:
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.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		5 ALA A  54
TYR A  63
TRP A 139
GLU A 211
TYR A 351
 ACR  A 995 (-3.4A)
ACR  A 995 (-4.3A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.5A)
ACR  A 995 ( 3.7A)
 0.93A 1lf9A-2f6dA:
29.6		 1lf9A-2f6dA:
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 TYR A1295
ASP A 986
GLU A 978
ASN A 231
ARG A  31
 None
None
OMT  A2473 ( 4.9A)
OMT  A2473 (-4.0A)
None
 1.30A 1lf9A-2vdcA:
0.0		 1lf9A-2vdcA:
19.25
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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		9 ALA A  38
TYR A  47
TRP A  51
ARG A  53
ASP A  54
GLU A 180
ARG A 309
TYR A 315
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
BTB  A 620 (-3.6A)
BTB  A 620 ( 4.9A)
None
 0.44A 1lf9A-2vn7A:
6.9		 1lf9A-2vn7A:
22.77
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) 		5 ALA A  38
TYR A  47
TRP A 120
GLU A 180
TYR A 315
 BTB  A 620 ( 3.8A)
BTB  A 620 (-3.9A)
None
None
BTB  A 620 ( 4.9A)
 0.99A 1lf9A-2vn7A:
6.9		 1lf9A-2vn7A:
22.77
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) 		9 ALA A  63
TYR A  72
TRP A  76
ARG A  78
ASP A  79
GLU A 204
ARG A 329
TYR A 335
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)
GOL  A 801 (-3.6A)
GOL  A 801 (-3.3A)
GOL  A 801 ( 4.1A)
None
 0.37A 1lf9A-3eqaA:
30.0		 1lf9A-3eqaA:
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.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		5 ALA A  63
TYR A  72
TRP A 144
GLU A 204
TYR A 335
 TRS  A 701 ( 3.8A)
TRS  A 701 (-4.5A)
None
GOL  A 801 (-3.6A)
GOL  A 801 ( 4.1A)
 0.98A 1lf9A-3eqaA:
30.0		 1lf9A-3eqaA:
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.
4ayr MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E

(Caulobacter sp.
K31) 		PF01532
(Glyco_hydro_47) 		5 ALA A  47
TRP A 424
GLN A 428
GLU A 452
ASN A 454
 None
None
None
IFL  A 503 (-3.1A)
NA  A 502 (-3.1A)
 1.44A 1lf9A-4ayrA:
15.4		 1lf9A-4ayrA:
21.97
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.
5goo ALKALINE INVERTASE

(Nostoc sp. PCC
7120) 		PF12899
(Glyco_hydro_100) 		6 ALA A  36
TYR A  47
ARG A  53
ASP A  54
ASN A 365
TYR A 370
 GOL  A 502 ( 4.2A)
FRU  A 501 (-4.3A)
GOL  A 502 (-4.4A)
GOL  A 502 (-2.9A)
None
FRU  A 501 (-4.8A)
 1.19A 1lf9A-5gooA:
24.8		 1lf9A-5gooA:
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.
5oie -

(-) 		no annotation 5 ALA A  31
TYR A  36
ASP A  43
ASN A 183
TYR A 375
 GOL  A 501 ( 4.0A)
GOL  A 501 ( 3.7A)
GOL  A 501 (-2.9A)
None
None
 1.02A 1lf9A-5oieA:
9.1		 1lf9A-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
ASN A 366
TYR A 371
 GOL  A 501 ( 3.8A)
GOL  A 501 (-4.1A)
GOL  A 501 (-2.7A)
None
None
 1.12A 1lf9A-5z73A:
24.7		 1lf9A-5z73A:
10.98
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 9 ALA A  66
TYR A  75
TRP A  79
ARG A  81
ASP A  82
GLU A 214
ARG A 341
TYR A 347
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 (-3.4A)
B3P  A 652 (-2.8A)
B3P  A 652 ( 3.8A)
None
 0.46A 1lf9A-6fhvA:
10.4		 1lf9A-6fhvA:
8.04
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 5 ALA A  66
TYR A  75
TRP A 154
GLU A 214
TYR A 347
 B3P  A 652 ( 3.9A)
B3P  A 652 (-4.1A)
B3P  A 652 (-4.3A)
B3P  A 652 (-3.4A)
B3P  A 652 ( 3.8A)
 1.01A 1lf9A-6fhvA:
10.4		 1lf9A-6fhvA:
8.04
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 9 ALA A  67
TYR A  76
TRP A  80
ARG A  82
ASP A  83
GLU A 209
ARG A 335
TYR A 341
TRP A 449
 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 (-3.9A)
ACR  A 801 (-2.8A)
ACR  A 801 ( 3.9A)
None
 0.46A 1lf9A-6fhwA:
8.1		 1lf9A-6fhwA:
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 5 ALA A  67
TYR A  76
TRP A 149
GLU A 209
TYR A 341
 ACR  A 801 (-3.5A)
ACR  A 801 (-4.3A)
ACR  A 801 (-3.7A)
ACR  A 801 (-3.9A)
ACR  A 801 ( 3.9A)
 0.91A 1lf9A-6fhwA:
8.1		 1lf9A-6fhwA:
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 5 ASP A  83
GLN A 153
GLU A 209
ARG A 335
TYR A 341
 ACR  A 801 (-2.7A)
None
ACR  A 801 (-3.9A)
ACR  A 801 (-2.8A)
ACR  A 801 ( 3.9A)
 1.30A 1lf9A-6fhwA:
8.1		 1lf9A-6fhwA:
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 9 ALA A  63
TYR A  72
TRP A  76
ARG A  78
ASP A  79
GLU A 204
ARG A 329
TYR A 335
TRP A 441
 None
 0.38A 1lf9A-6frvA:
5.4		 1lf9A-6frvA:
9.26
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.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 5 ALA A  63
TYR A  72
TRP A 144
GLU A 204
TYR A 335
 None
 0.99A 1lf9A-6frvA:
5.4		 1lf9A-6frvA:
9.26