SIMILAR PATTERNS OF AMINO ACIDS FOR 2HA6_B_SCKB952

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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		6 GLU A  81
GLU A  84
MET A  85
ASP A 131
GLU A 452
TYR A 465
 None
 0.77A 2ha6B-1b41A:
63.6		 2ha6B-1b41A:
88.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		7 GLU A  81
MET A  85
ASN A  87
ASP A 131
THR A 436
GLU A 452
TYR A 465
 None
 0.51A 2ha6B-1b41A:
63.6		 2ha6B-1b41A:
88.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		10 GLU A  81
GLU A  84
MET A  85
ASN A  87
ASP A 131
THR A 436
GLU A 452
LEU A 457
LEU A 463
TYR A 465
 None
 0.46A 2ha6B-1c2oA:
64.3		 2ha6B-1c2oA:
99.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		6 GLU A  81
GLU A  84
MET A  85
ASN A  87
LEU A 463
TYR A 465
 None
 1.43A 2ha6B-1c2oA:
64.3		 2ha6B-1c2oA:
99.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		8 GLU A  82
MET A  83
ASN A  85
ASP A 128
GLU A 445
LEU A 450
LEU A 456
TYR A 458
 None
 0.64A 2ha6B-1gqrA:
61.5		 2ha6B-1gqrA:
58.60
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.
1nf6 BACTERIOFERRITIN

(Desulfovibrio
desulfuricans) 		PF00210
(Ferritin) 		5 GLU A  99
ASP A  55
THR A 102
GLU A  23
TYR A 106
 FE  A 200 (-2.4A)
None
None
None
None
 1.44A 2ha6B-1nf6A:
undetectable		 2ha6B-1nf6A:
15.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		6 GLU A  81
ASN A  84
ASP A 160
GLU A 485
LEU A 496
TYR A 498
 None
None
None
None
NAG  A 991 (-4.1A)
None
 0.79A 2ha6B-1qonA:
63.1		 2ha6B-1qonA:
38.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		6 GLU A  81
ASN A  84
THR A 469
GLU A 485
LEU A 496
TYR A 498
 None
None
None
None
NAG  A 991 (-4.1A)
None
 0.90A 2ha6B-1qonA:
63.1		 2ha6B-1qonA:
38.59
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.
1uwy CARBOXYPEPTIDASE M

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 GLU A 153
ASN A 109
GLU A  12
LEU A  15
LEU A  28
 None
 1.26A 2ha6B-1uwyA:
3.2		 2ha6B-1uwyA:
20.82
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.
2dby GTP-BINDING PROTEIN

(Thermus
thermophilus) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 ASN A  19
GLU A 212
LEU A 215
LEU A 266
TYR A 264
 None
 1.30A 2ha6B-2dbyA:
2.2		 2ha6B-2dbyA:
23.46
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.
2gqq LEUCINE-RESPONSIVE
REGULATORY PROTEIN

(Escherichia
coli) 		PF01037
(AsnC_trans_reg)
PF13412
(HTH_24) 		5 ASN A  94
THR A 146
LEU A 130
LEU A 131
TYR A 127
 None
 1.44A 2ha6B-2gqqA:
undetectable		 2ha6B-2gqqA:
17.00
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 GLU A 532
MET A 534
THR A 775
LEU A 506
TYR A 490
 None
 1.34A 2ha6B-2ivfA:
undetectable		 2ha6B-2ivfA:
19.23
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.
2xdf PHOSPHOENOLPYRUVATE-
PROTEIN
PHOSPHOTRANSFERASE

(Escherichia
coli) 		PF00391
(PEP-utilizers)
PF02896
(PEP-utilizers_C)
PF05524
(PEP-utilisers_N) 		5 GLU A 445
GLU A 405
LEU A 370
LEU A 374
TYR A 409
 None
 1.36A 2ha6B-2xdfA:
undetectable		 2ha6B-2xdfA:
21.34
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00148
(Oxidored_nitro)
PF08369
(PCP_red) 		5 GLU C  57
GLU D 358
LEU D 355
LEU D   5
TYR D 354
 None
 1.32A 2ha6B-2ynmC:
undetectable		 2ha6B-2ynmC:
23.14
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.
3fgw PUTATIVE
PHOSPHOLIPASE B-LIKE
2

(Mus musculus) 		PF04916
(Phospholip_B) 		5 GLU A 350
ASN A 381
GLU A 232
LEU A 235
TYR A 156
 None
 1.42A 2ha6B-3fgwA:
undetectable		 2ha6B-3fgwA:
22.91
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.
3ilv GLUTAMINE-DEPENDENT
NAD(+) SYNTHETASE

(Cytophaga
hutchinsonii) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 GLU A 408
GLU A 405
GLU A 415
LEU A 422
LEU A 431
 None
 1.42A 2ha6B-3ilvA:
undetectable		 2ha6B-3ilvA:
21.82
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.
3ip1 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLU A 127
GLU A 126
MET A 128
LEU A  86
TYR A  83
 None
 1.37A 2ha6B-3ip1A:
2.1		 2ha6B-3ip1A:
21.61
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.
3o44 HEMOLYSIN

(Vibrio cholerae) 		PF07968
(Leukocidin)
PF12563
(Hemolysin_N)
PF16458
(Beta-prism_lec) 		5 GLU A 329
ASN A 343
LEU A 182
LEU A 211
TYR A 184
 None
 1.09A 2ha6B-3o44A:
undetectable		 2ha6B-3o44A:
22.07
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.
3rhd LACTALDEHYDE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00171
(Aldedh) 		5 GLU A 453
ASN A 159
GLU A 241
LEU A 240
LEU A 442
 None
 1.26A 2ha6B-3rhdA:
undetectable		 2ha6B-3rhdA:
21.35
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.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASN A 314
GLU A 356
LEU A  42
LEU A  39
TYR A  38
 None
 1.26A 2ha6B-4aieA:
undetectable		 2ha6B-4aieA:
21.00
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.
4cmr GLYCOSYL
HYDROLASE/DEACETYLAS
E FAMILY PROTEIN

(Pyrococcus sp.
ST04) 		no annotation 5 ASN A 488
GLU A 368
LEU A 365
LEU A 503
TYR A 507
 None
 0.92A 2ha6B-4cmrA:
undetectable		 2ha6B-4cmrA:
21.52
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.
4efh ACTIN-1

(Acanthamoeba
castellanii) 		PF00022
(Actin) 		5 GLU A 270
MET A 269
THR A 160
LEU A 185
LEU A 261
 None
 1.48A 2ha6B-4efhA:
undetectable		 2ha6B-4efhA:
23.67
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.
4it1 PUTATIVE GLUCARATE
DEHYDRATASE

(Pseudomonas
fluorescens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLU A  47
GLU A 358
LEU A 365
LEU A 329
TYR A 350
 None
 1.18A 2ha6B-4it1A:
undetectable		 2ha6B-4it1A:
23.06
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 ASN A 458
GLU A 957
LEU A 958
LEU A 476
TYR A 418
 None
 1.43A 2ha6B-4j3bA:
undetectable		 2ha6B-4j3bA:
19.78
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.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		5 GLU A1069
ASN A 469
LEU A1078
LEU A 850
TYR A1056
 None
 1.34A 2ha6B-4pj3A:
undetectable		 2ha6B-4pj3A:
16.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		8 GLU A  82
MET A  83
ASN A  85
ASP A 128
GLU A 445
LEU A 450
LEU A 456
TYR A 458
 None
None
None
NAG  A 608 ( 4.7A)
None
None
NAG  A 608 ( 4.5A)
None
 0.38A 2ha6B-4qwwA:
62.5		 2ha6B-4qwwA:
64.02
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.
4wk4 INTEGRIN ALPHA-5

(Homo sapiens) 		PF01839
(FG-GAP) 		5 ASP A 311
THR A 341
GLU A 279
LEU A 309
TYR A 325
 None
 1.42A 2ha6B-4wk4A:
undetectable		 2ha6B-4wk4A:
24.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		6 GLU A  80
MET A  81
ASN A  83
GLU A 443
LEU A 448
TYR A 456
 None
 0.71A 2ha6B-4xiiA:
65.8		 2ha6B-4xiiA:
52.12
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.
4y7p ALKALINE D-PEPTIDASE

(Bacillus cereus) 		PF00144
(Beta-lactamase) 		5 GLU A 196
GLU A 193
ASN A 189
LEU A 203
LEU A 205
 None
 1.34A 2ha6B-4y7pA:
undetectable		 2ha6B-4y7pA:
21.11
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.
5anc RIBOSOME MATURATION
PROTEIN SBDS

(Homo sapiens) 		PF01172
(SBDS)
PF09377
(SBDS_C) 		5 GLU J 219
ASP J 213
THR J 228
LEU J 193
LEU J 190
 A  N2522 ( 3.7A)
None
None
None
None
 1.43A 2ha6B-5ancJ:
undetectable		 2ha6B-5ancJ:
16.10
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.
5b4x REELIN

(Mus musculus) 		PF07974
(EGF_2) 		5 GLU A2091
GLU A2025
ASN A2126
LEU A2055
LEU A2056
 None
 1.42A 2ha6B-5b4xA:
undetectable		 2ha6B-5b4xA:
22.30
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.
5daj NALD

(Pseudomonas
aeruginosa) 		PF00440
(TetR_N)
PF08361
(TetR_C_2) 		5 GLU A  60
MET A  61
ASN A  63
THR A  31
LEU A  24
 None
 1.35A 2ha6B-5dajA:
undetectable		 2ha6B-5dajA:
16.12
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.
5jx5 GLUCANASE

(Orpinomyces sp.
Y102) 		PF01341
(Glyco_hydro_6) 		5 GLU A 246
THR A 325
LEU A 297
LEU A 343
TYR A 339
 None
 1.36A 2ha6B-5jx5A:
undetectable		 2ha6B-5jx5A:
20.65
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.
5tu0 LMO2125 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		5 GLU A 165
ASN A 182
LEU A 198
LEU A 290
TYR A 202
 PGE  A 503 (-3.8A)
None
None
None
None
 1.47A 2ha6B-5tu0A:
undetectable		 2ha6B-5tu0A:
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.
5wch PROBABLE UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE FAF-X

(Homo sapiens) 		no annotation 5 GLU A1915
MET A1916
ASN A1918
LEU A1951
TYR A1953
 None
 1.41A 2ha6B-5wchA:
undetectable		 2ha6B-5wchA:
9.59
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.
5xhq APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Escherichia
coli) 		PF00795
(CN_hydrolase) 		5 GLU A 267
GLU A 274
LEU A 281
LEU A 319
TYR A 325
 None
 1.16A 2ha6B-5xhqA:
undetectable		 2ha6B-5xhqA:
22.36
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.
5xyh CBSA

(Xanthomonas
oryzae) 		no annotation 5 GLU A 178
THR A 264
LEU A 232
LEU A 310
TYR A 306
 None
 1.34A 2ha6B-5xyhA:
undetectable		 2ha6B-5xyhA:
9.77
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 MET A 244
ASN A 246
ASP A 289
LEU A 616
TYR A 618
 None
 0.84A 2ha6B-5ydjA:
63.4		 2ha6B-5ydjA:
10.71
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 MET A 244
ASN A 246
GLU A 610
LEU A 616
TYR A 618
 None
 1.17A 2ha6B-5ydjA:
63.4		 2ha6B-5ydjA:
10.71
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 MET A 244
ASN A 246
ASP A 289
LEU A 616
TYR A 618
 None
 0.69A 2ha6B-6arxA:
64.4		 2ha6B-6arxA:
9.77