SIMILAR PATTERNS OF AMINO ACIDS FOR 1ULV_A_ACRA3000_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		11 ALA A 319
TYR A 337
TRP A 341
ARG A 343
ASP A 344
GLN A 434
GLU A 439
ASN A 521
ARG A 575
TYR A 581
TRP A 599
 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 ( 3.9A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.4A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
None
 0.51A 1ulvA-1lf9A:
53.0		 1ulvA-1lf9A:
30.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		6 ARG A 343
GLN A 380
ASN A 521
ARG A 575
TYR A 581
TRP A 599
 ACR  A 700 (-3.6A)
ACR  A 700 (-3.2A)
ACR  A 700 (-3.4A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
None
 1.33A 1ulvA-1lf9A:
53.0		 1ulvA-1lf9A:
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.
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
 1.38A 1ulvA-1ot5A:
undetectable		 1ulvA-1ot5A:
20.24
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.
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 362
 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
 0.49A 1ulvA-2f6dA:
31.1		 1ulvA-2f6dA:
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.
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
 1.12A 1ulvA-2vdcA:
0.0		 1ulvA-2vdcA:
23.10
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 321
 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
 0.57A 1ulvA-2vn7A:
30.6		 1ulvA-2vn7A:
22.28
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.
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 341
 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
 0.54A 1ulvA-3eqaA:
9.4		 1ulvA-3eqaA:
19.86
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.
4b61 ALGINATE PRODUCTION
PROTEIN ALGE

(Pseudomonas
aeruginosa) 		PF13372
(Alginate_exp) 		5 ALA A 198
ARG A 204
ASP A 201
GLN A 345
ASN A 352
 None
 1.29A 1ulvA-4b61A:
1.2		 1ulvA-4b61A:
20.41
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.
4d8o ANKYRIN-2

(Homo sapiens) 		PF00531
(Death)
PF00791
(ZU5) 		5 ALA A1510
TRP A1502
ARG A1505
ASP A1506
ARG A1312
 None
 1.31A 1ulvA-4d8oA:
3.0		 1ulvA-4d8oA:
20.49
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 ASP A  21
GLN A 189
ASN A  91
TYR A  89
TRP A  93
 None
 0.97A 1ulvA-4lgnA:
undetectable		 1ulvA-4lgnA:
23.30
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) 		5 TYR A  28
TRP A  32
ASP A  35
TYR A 349
TRP A 355
 TRS  A 501 (-3.7A)
TRS  A 501 (-4.5A)
TRS  A 501 (-3.0A)
TRS  A 501 (-4.3A)
None
 1.02A 1ulvA-4wvaA:
8.7		 1ulvA-4wvaA:
18.31
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)
 1.16A 1ulvA-5gooA:
28.9		 1ulvA-5gooA:
17.80
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.
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
 1.09A 1ulvA-5gooA:
28.9		 1ulvA-5gooA:
17.80
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.
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
 1.07A 1ulvA-5oieA:
9.9		 1ulvA-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 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
 0.98A 1ulvA-5oieA:
9.9		 1ulvA-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 6 ALA A  37
ARG A  54
ASP A  55
ASN A 366
TYR A 371
TRP A 377
 GOL  A 501 ( 3.8A)
GOL  A 501 (-4.1A)
GOL  A 501 (-2.7A)
None
None
None
 1.05A 1ulvA-5z73A:
11.2		 1ulvA-5z73A:
6.13
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 353
 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
 0.45A 1ulvA-6fhvA:
30.6		 1ulvA-6fhvA:
6.10
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 347
 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
 0.48A 1ulvA-6fhwA:
33.7		 1ulvA-6fhwA:
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.
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 341
 None
 0.51A 1ulvA-6frvA:
31.5		 1ulvA-6frvA:
6.15