SIMILAR PATTERNS OF AMINO ACIDS FOR 6AG0_A_ACRA609

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.
1aqz RESTRICTOCIN

(Aspergillus
restrictus) 		no annotation 4 GLY A  41
ASP A  90
TRP A  50
MET A  86
 None
 1.27A 6ag0A-1aqzA:
undetectable		 6ag0A-1aqzA:
20.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1bpl ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE
ALPHA-1,4-GLUCAN-4-G
LUCANOHYDROLASE

(Bacillus
licheniformis;
Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 LYS A  70
GLY A 108
TRP A 138
TRP A 165
TYR B 198
 None
 0.29A 6ag0A-1bplA:
19.3		 6ag0A-1bplA:
31.43
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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 LYS A  68
GLY A 106
TRP A 136
ASP A 162
TRP A 163
MET A 197
TYR A 198
 None
 0.45A 6ag0A-1e43A:
59.0		 6ag0A-1e43A:
11.73
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.
1hn0 CHONDROITIN ABC
LYASE I

(Proteus
vulgaris) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		4 GLY A 507
ASP A 490
TRP A 499
TYR A 508
 None
 0.94A 6ag0A-1hn0A:
3.4		 6ag0A-1hn0A:
6.59
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.
1j93 UROPORPHYRINOGEN
DECARBOXYLASE

(Nicotiana
tabacum) 		PF01208
(URO-D) 		4 GLY A 328
TRP A 274
ASP A 277
MET A 278
 None
 1.41A 6ag0A-1j93A:
10.8		 6ag0A-1j93A:
13.60
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.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		4 LYS A  63
GLY A  53
ASP A 278
TYR A  54
 None
 1.11A 6ag0A-1lwhA:
23.6		 6ag0A-1lwhA:
10.63
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.
1pem RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
ALPHA CHAIN

(Salmonella
enterica) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF08343
(RNR_N) 		4 GLY A 476
ASP A 427
MET A 426
TYR A 477
 None
 1.23A 6ag0A-1pemA:
4.0		 6ag0A-1pemA:
7.99
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.
1ud3 AMYLASE

(Bacillus sp.
KSM-K38) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 LYS A  70
GLY A 108
TRP A 138
ASP A 164
TRP A 165
 None
 0.36A 6ag0A-1ud3A:
63.5		 6ag0A-1ud3A:
11.88
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.
1vjs ALPHA-AMYLASE

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 LYS A  70
GLY A 108
TRP A 138
TRP A 165
TYR A 198
 None
 0.35A 6ag0A-1vjsA:
55.5		 6ag0A-1vjsA:
6.92
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.
1vpr LUCIFERASE

(Lingulodinium
polyedra) 		PF10284
(Luciferase_3H)
PF10285
(Luciferase_cat) 		4 LYS A1089
GLY A1068
MET A1153
TYR A1168
 None
 1.38A 6ag0A-1vprA:
undetectable		 6ag0A-1vprA:
13.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1w9x ALPHA AMYLASE

(Bacillus
halmapalus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 LYS A  72
GLY A 110
TRP A 140
ASP A 166
TRP A 167
MET A 202
TYR A 203
 AC1  A1496 (-2.9A)
AC1  A1496 (-3.4A)
AC1  A1496 (-3.7A)
GLC  A1495 (-2.7A)
AC1  A1496 (-4.7A)
GLC  A1493 (-3.5A)
GLC  A1495 (-4.0A)
 0.30A 6ag0A-1w9xA:
64.2		 6ag0A-1w9xA:
32.35
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 LYS A 191
GLY A 290
ASP A  56
MET A  55
 None
5GP  A1340 (-3.1A)
None
5GP  A1340 (-3.9A)
 1.44A 6ag0A-2bwgA:
7.9		 6ag0A-2bwgA:
12.81
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.
2d3l GLUCAN
1,4-ALPHA-MALTOHEXAO
SIDASE

(Bacillus sp.
707) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 LYS A  72
GLY A 110
TRP A 140
ASP A 166
TRP A 167
MET A 202
TYR A 203
 GLC  A 601 (-3.0A)
GLC  A 602 ( 3.2A)
GLC  A 602 ( 3.7A)
GLC  A 603 (-2.8A)
GLC  A 602 ( 4.8A)
GLC  A 605 ( 3.5A)
GLC  A 603 (-4.0A)
 0.33A 6ag0A-2d3lA:
59.6		 6ag0A-2d3lA:
9.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2die AMYLASE

(Bacillus sp.
(in: Bacteria)) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 LYS A  72
GLY A 110
TRP A 140
ASP A 166
TRP A 167
MET A 202
TYR A 203
 None
 0.32A 6ag0A-2dieA:
64.2		 6ag0A-2dieA:
32.11
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.
2o4x STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00567
(TUDOR) 		4 LYS B 703
GLY B 753
ASP B 692
MET B 689
 None
 1.44A 6ag0A-2o4xB:
undetectable		 6ag0A-2o4xB:
18.89
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.
2zg6 PUTATIVE
UNCHARACTERIZED
PROTEIN ST2620

(Sulfurisphaera
tokodaii) 		PF13419
(HAD_2) 		4 LYS A  47
GLY A  11
ASP A  99
TYR A  97
 None
 1.30A 6ag0A-2zg6A:
undetectable		 6ag0A-2zg6A:
18.92
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		6 LYS A 198
GLY A 236
TRP A 260
ASP A 286
TRP A 287
MET A 316
 G6D  A 801 (-3.5A)
GLC  A 802 ( 3.3A)
G6D  A 801 ( 3.6A)
ACI  A 803 (-2.6A)
GLC  A 802 ( 4.3A)
GLC  A 805 (-3.7A)
 0.38A 6ag0A-3bc9A:
48.4		 6ag0A-3bc9A:
15.02
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.
3bvm ENTEROTOXIN TYPE C-3

(Staphylococcus
aureus) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		4 GLY A  86
ASP A 219
MET A 216
TYR A 217
 None
 0.81A 6ag0A-3bvmA:
undetectable		 6ag0A-3bvmA:
18.26
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.
3f9s PUTATIVE POLYKETIDE
CYCLASE

(Acidithiobacillus
ferrooxidans) 		PF07366
(SnoaL) 		4 GLY A 124
TRP A 126
MET A  85
TYR A 115
 None
 1.15A 6ag0A-3f9sA:
undetectable		 6ag0A-3f9sA:
18.79
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.
3km5 LYSINE SPECIFIC
CYSTEINE PROTEASE

(Porphyromonas
gingivalis) 		PF07675
(Cleaved_Adhesin) 		4 GLY A1282
TRP A1212
ASP A1247
TYR A1322
 None
 1.29A 6ag0A-3km5A:
undetectable		 6ag0A-3km5A:
16.02
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.
3kmu INTEGRIN-LINKED
KINASE

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 TRP A 271
ASP A 328
MET A 331
TYR A 274
 None
 1.44A 6ag0A-3kmuA:
undetectable		 6ag0A-3kmuA:
17.43
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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		4 LYS A 641
GLY A 720
ASP A 675
TYR A 699
 None
 1.40A 6ag0A-3ob8A:
8.6		 6ag0A-3ob8A:
5.93
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.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 LYS A  76
GLY A 114
TRP A 128
TYR A 162
 None
 0.75A 6ag0A-3qgvA:
39.7		 6ag0A-3qgvA:
10.47
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.
3r67 PUTATIVE GLYCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF04041
(Glyco_hydro_130) 		4 GLY A 182
ASP A 237
TRP A 241
TYR A 181
 None
 1.35A 6ag0A-3r67A:
undetectable		 6ag0A-3r67A:
13.01
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.
3r7w GTP-BINDING PROTEIN
GTR1

(Saccharomyces
cerevisiae) 		PF04670
(Gtr1_RagA) 		4 LYS A 127
GLY A  16
ASP A  66
MET A  69
 GNP  A 500 (-3.6A)
GNP  A 500 (-3.8A)
None
None
 1.25A 6ag0A-3r7wA:
undetectable		 6ag0A-3r7wA:
11.76
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.
3sdo NITRILOTRIACETATE
MONOOXYGENASE

(Burkholderia
pseudomallei) 		PF00296
(Bac_luciferase) 		4 GLY A 159
ASP A 165
TRP A 164
TYR A 440
 None
 0.94A 6ag0A-3sdoA:
8.9		 6ag0A-3sdoA:
11.82
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.
3unv ADMH

(Pantoea
agglomerans) 		PF00221
(Lyase_aromatic) 		4 LYS A 170
GLY A 166
ASP A 379
MET A 378
 KWS  A 168 ( 3.3A)
KWS  A 168 ( 2.5A)
None
None
 1.37A 6ag0A-3unvA:
undetectable		 6ag0A-3unvA:
10.15
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 LYS A 600
GLY A 566
TRP A 510
ASP A 518
 EDO  A2014 ( 4.3A)
None
None
None
 1.40A 6ag0A-4cu8A:
5.5		 6ag0A-4cu8A:
7.29
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.
4i5s PUTATIVE HISTIDINE
KINASE COVS
VICK-LIKE PROTEIN

(Streptococcus
mutans) 		PF00512
(HisKA)
PF00989
(PAS)
PF02518
(HATPase_c) 		4 LYS A 388
GLY A 398
ASP A 366
TYR A 342
 None
 1.45A 6ag0A-4i5sA:
undetectable		 6ag0A-4i5sA:
9.78
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.
4i8i HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF16227
(DUF4886) 		4 GLY A 205
TRP A 160
MET A 179
TYR A 182
 None
 1.50A 6ag0A-4i8iA:
undetectable		 6ag0A-4i8iA:
14.39
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.
4kru AUTOLYTIC LYSOZYME

(Clostridium
phage phiSM101) 		PF01183
(Glyco_hydro_25) 		4 GLY A 189
TRP A  17
ASP A  13
MET A 193
 None
None
NDG  A 501 (-3.6A)
None
 1.36A 6ag0A-4kruA:
5.6		 6ag0A-4kruA:
16.02
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.
4mb5 CHITINASE 60

(Moritella
marina) 		PF00704
(Glyco_hydro_18)
PF16403
(DUF5011) 		4 GLY A 379
ASP A 347
MET A 348
TYR A 377
 None
 1.40A 6ag0A-4mb5A:
12.0		 6ag0A-4mb5A:
13.39
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.
4uwq SULFUR OXIDATION
PROTEIN SOXB

(Thermus
thermophilus) 		PF02872
(5_nucleotid_C) 		4 GLY A 474
ASP A 143
TRP A 417
TYR A 230
 None
MN  A 581 ( 2.9A)
None
None
 1.25A 6ag0A-4uwqA:
2.2		 6ag0A-4uwqA:
9.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4uzu ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		7 LYS A  71
GLY A 109
TRP A 139
ASP A 165
TRP A 166
MET A 198
TYR A 199
 None
GLY  A1489 (-3.6A)
GLY  A1489 ( 4.8A)
None
None
None
GLY  A1489 (-4.8A)
 0.54A 6ag0A-4uzuA:
67.2		 6ag0A-4uzuA:
100.00
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.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135

(Acanthamoeba
polyphaga
mimivirus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 GLY A 531
TRP A 539
TRP A 540
TYR A 535
 None
 1.16A 6ag0A-4z26A:
undetectable		 6ag0A-4z26A:
8.12
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.
5dis MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR PORE
COMPLEX PROTEIN
NUP214

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		4 GLY D 243
TRP D 232
ASP D 236
TYR D 242
 None
 1.48A 6ag0A-5disD:
undetectable		 6ag0A-5disD:
11.44
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.
5h3b UNCHARACTERIZED
PROTEIN HI_1552

(Haemophilus
influenzae) 		PF04301
(DUF452) 		4 GLY A  19
TRP A  20
MET A   1
TYR A  44
 IPA  A 302 (-3.6A)
None
None
None
 1.26A 6ag0A-5h3bA:
undetectable		 6ag0A-5h3bA:
19.52
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		4 GLY A1438
ASP A1387
TRP A1422
TYR A1456
 None
 1.38A 6ag0A-5jbeA:
12.3		 6ag0A-5jbeA:
6.67
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.
5tta PUTATIVE EXPORTED
PROTEIN

(Clostridioides
difficile) 		no annotation 4 GLY A 225
ASP A  77
TRP A  83
TYR A  76
 None
 1.17A 6ag0A-5ttaA:
undetectable		 6ag0A-5ttaA:
14.94
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.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 4 GLY A 407
TRP A 403
ASP A 468
TYR A 472
 None
None
None
SO4  A1032 ( 4.1A)
 1.41A 6ag0A-6bv2A:
undetectable		 6ag0A-6bv2A:
21.35