SIMILAR PATTERNS OF AMINO ACIDS FOR 1GAH_A_ACRA497_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 TRP A 341
ARG A 343
ASP A 344
GLY A 392
GLU A 438
 ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
None
ACR  A 700 (-3.5A)
 0.72A 1gahA-1lf9A:
29.6		 1gahA-1lf9A:
21.42
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) 		9 TYR A 337
TRP A 341
ARG A 343
ASP A 344
GLU A 438
GLU A 439
TYR A 581
TRP A 599
GLU A 636
 ACR  A 700 (-4.3A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.5A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.7A)
None
None
 0.31A 1gahA-1lf9A:
29.6		 1gahA-1lf9A:
21.42
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 TRP A 330
ARG A 332
ASP A 333
GLY A 382
GLU A 430
 ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
None
ACR  A3000 (-3.6A)
 0.83A 1gahA-1ulvA:
31.6		 1gahA-1ulvA:
19.33
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) 		9 TYR A 326
TRP A 330
ARG A 332
ASP A 333
GLU A 430
GLU A 431
TYR A 573
TRP A 591
GLU A 628
 ACR  A3000 (-3.9A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
ACR  A3000 (-3.6A)
ACR  A3000 (-3.5A)
ACR  A3000 (-3.7A)
None
None
 0.36A 1gahA-1ulvA:
31.6		 1gahA-1ulvA:
19.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		11 TYR A  63
TRP A  67
ARG A  69
ASP A  70
TRP A 139
GLY A 140
GLU A 210
GLU A 211
TYR A 351
TRP A 362
GLU A 456
 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 (-3.7A)
ACR  A 995 (-3.5A)
ACR  A 995 ( 3.7A)
None
ACR  A 995 ( 4.6A)
 0.15A 1gahA-2f6dA:
45.7		 1gahA-2f6dA:
34.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		11 TYR A  47
TRP A  51
ARG A  53
ASP A  54
TRP A 120
GLY A 121
GLU A 179
GLU A 180
TYR A 315
TRP A 321
GLU A 404
 BTB  A 620 (-3.9A)
BTB  A 620 (-3.8A)
BTB  A 620 (-3.7A)
BTB  A 620 (-2.8A)
None
None
BTB  A 620 (-3.6A)
None
BTB  A 620 ( 4.9A)
None
BTB  A 620 (-4.0A)
 0.29A 1gahA-2vn7A:
62.4		 1gahA-2vn7A:
47.29
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
 1.30A 1gahA-2wpgA:
undetectable		 1gahA-2wpgA:
21.22
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.
2zci PHOSPHOENOLPYRUVATE
CARBOXYKINASE [GTP]

(Corynebacterium
glutamicum) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 ASP A 140
TRP A 246
GLY A 245
GLU A 244
GLU A 243
 None
 1.18A 1gahA-2zciA:
undetectable		 1gahA-2zciA:
20.63
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.
3cze SUCROSE HYDROLASE

(Xanthomonas
citri) 		PF00128
(Alpha-amylase) 		5 TYR A 114
TRP A 524
GLY A 103
TYR A  94
GLU A 495
 None
 1.31A 1gahA-3czeA:
undetectable		 1gahA-3czeA:
21.57
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.
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 1gahA-3dkhA:
undetectable		 1gahA-3dkhA:
23.95
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 TYR A  72
TRP A  76
ARG A  78
ASP A  79
TRP A 144
GLY A 145
TYR A 199
GLU A 203
GLU A 204
TYR A 335
TRP A 341
GLU A 424
 TRS  A 701 (-4.5A)
TRS  A 701 (-3.8A)
TRS  A 701 (-3.8A)
TRS  A 701 (-2.8A)
None
None
None
TRS  A 701 ( 3.8A)
GOL  A 801 (-3.6A)
GOL  A 801 ( 4.1A)
None
None
 0.24A 1gahA-3eqaA:
69.8		 1gahA-3eqaA:
95.11
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.
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
 0.74A 1gahA-3on6A:
23.9		 1gahA-3on6A:
20.94
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.
3wdj TYPE I PULLULANASE

(Anoxybacillus
sp. LM18-11) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 TYR A 299
ASP A 526
GLY A 443
TYR A 469
GLU A 442
 MTT  A 802 (-4.0A)
MTT  A 802 (-2.9A)
None
None
MTT  A 802 (-3.0A)
 1.33A 1gahA-3wdjA:
undetectable		 1gahA-3wdjA:
21.18
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.
4nt9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 TYR B 191
ARG B 120
ASP B 160
TYR B 129
GLU B 152
 None
ACT  B 302 (-4.0A)
ZN  B 301 (-2.5A)
None
None
 1.27A 1gahA-4nt9B:
undetectable		 1gahA-4nt9B:
18.45
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.
4ox2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP]

(Rattus
norvegicus) 		PF00821
(PEPCK_C)
PF17297
(PEPCK_N) 		5 TRP A 260
GLY A 259
GLU A 258
GLU A 257
GLU A 188
 None
 1.38A 1gahA-4ox2A:
undetectable		 1gahA-4ox2A:
20.60
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
TRP A 355
GLU A 393
 TRS  A 501 (-3.7A)
TRS  A 501 (-4.5A)
TRS  A 501 (-3.0A)
None
TRS  A 501 (-3.7A)
 1.10A 1gahA-4wvaA:
20.2		 1gahA-4wvaA:
22.11
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.
4wva UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		PF01204
(Trehalase) 		5 TYR A  28
TRP A  32
TYR A 349
TRP A 355
GLU A 393
 TRS  A 501 (-3.7A)
TRS  A 501 (-4.5A)
TRS  A 501 (-4.3A)
None
TRS  A 501 (-3.7A)
 1.13A 1gahA-4wvaA:
20.2		 1gahA-4wvaA:
22.11
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.
5apm VP0

(Parechovirus A) 		PF00073
(Rhv) 		5 ASP C 194
GLY C 241
TYR C 187
GLU C 188
TYR C 246
 None
 1.47A 1gahA-5apmC:
undetectable		 1gahA-5apmC:
21.31
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) 		5 TYR A  47
ASP A  54
GLY A 183
TYR A 370
GLU A 414
 FRU  A 501 (-4.3A)
GOL  A 502 (-2.9A)
None
FRU  A 501 (-4.8A)
GOL  A 502 ( 4.9A)
 1.29A 1gahA-5gooA:
22.1		 1gahA-5gooA:
21.10
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.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ARG A 118
ASP A 122
TYR A 109
GLU A 110
TRP A 376
 None
 1.50A 1gahA-5mdnA:
undetectable		 1gahA-5mdnA:
21.13
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2

(Saccharomyces
cerevisiae) 		no annotation 5 TYR B 746
GLY B 976
TYR B 690
GLU B 960
TYR B1023
 None
 1.05A 1gahA-6f42B:
undetectable		 1gahA-6f42B:
9.55
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 11 TYR A  75
TRP A  79
ARG A  81
ASP A  82
TRP A 154
GLY A 155
GLU A 213
GLU A 214
TYR A 347
TRP A 353
GLU A 436
 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 (-3.7A)
B3P  A 652 (-3.4A)
B3P  A 652 ( 3.8A)
None
B3P  A 652 ( 4.6A)
 0.31A 1gahA-6fhvA:
62.7		 1gahA-6fhvA:
8.22
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 11 TYR A  76
TRP A  80
ARG A  82
ASP A  83
TRP A 149
GLY A 150
GLU A 208
GLU A 209
TYR A 341
TRP A 347
GLU A 432
 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 (-3.9A)
ACR  A 801 ( 3.9A)
None
ACR  A 801 (-4.4A)
 0.29A 1gahA-6fhwA:
60.5		 1gahA-6fhwA:
10.97
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 TYR A  72
TRP A  76
ARG A  78
ASP A  79
TRP A 144
GLY A 145
TYR A 199
GLU A 203
GLU A 204
TYR A 335
TRP A 341
GLU A 424
 None
 0.25A 1gahA-6frvA:
68.4		 1gahA-6frvA:
83.87