SIMILAR PATTERNS OF AMINO ACIDS FOR 2XFF_A_QPSA600_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.
1b1y PROTEIN
(BETA-AMYLASE)

(Hordeum vulgare) 		PF01373
(Glyco_hydro_14) 		11 ALA A 182
GLU A 184
ARG A 186
TYR A 190
GLN A 192
TRP A 196
PHE A 198
GLY A 296
HIS A 298
THR A 340
MET A 344
 BGC  A 551 ( 3.5A)
BGC  A 551 (-4.1A)
None
None
BGC  A 552 (-3.6A)
None
BGC  A 552 (-4.0A)
None
BGC  A 552 (-4.1A)
BGC  A 551 (-3.1A)
BGC  A 552 ( 4.6A)
 0.75A 2xffA-1b1yA:
62.7		 2xffA-1b1yA:
97.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1btc BETA-AMYLASE

(Glycine max) 		PF01373
(Glyco_hydro_14) 		10 ALA A 184
GLU A 186
ARG A 188
TYR A 192
GLN A 194
TRP A 198
SER A 297
GLY A 298
HIS A 300
MET A 346
 BME  A 502 ( 3.9A)
None
None
None
GLC  A 499 ( 4.0A)
None
None
BME  A 504 ( 4.3A)
GLC  A 499 ( 4.0A)
GLC  A 499 (-3.7A)
 0.67A 2xffA-1btcA:
61.8		 2xffA-1btcA:
62.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1btc BETA-AMYLASE

(Glycine max) 		PF01373
(Glyco_hydro_14) 		10 ALA A 184
GLU A 186
ARG A 188
TYR A 192
TRP A 198
PHE A 200
SER A 297
GLY A 298
HIS A 300
MET A 346
 BME  A 502 ( 3.9A)
None
None
None
None
GLC  A 499 ( 3.6A)
None
BME  A 504 ( 4.3A)
GLC  A 499 ( 4.0A)
GLC  A 499 (-3.7A)
 0.50A 2xffA-1btcA:
61.8		 2xffA-1btcA:
62.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1btc BETA-AMYLASE

(Glycine max) 		PF01373
(Glyco_hydro_14) 		6 TYR A 192
GLN A 194
TRP A 198
SER A 297
GLY A 298
THR A 342
 None
GLC  A 499 ( 4.0A)
None
None
BME  A 504 ( 4.3A)
None
 1.10A 2xffA-1btcA:
61.8		 2xffA-1btcA:
62.08
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.
1fhf SEED COAT PEROXIDASE

(Glycine max) 		PF00141
(peroxidase) 		5 ALA A 134
GLU A  64
GLN A 155
SER A  52
GLY A  51
 None
CA  A 501 ( 4.3A)
None
CA  A 501 (-2.3A)
None
 1.24A 2xffA-1fhfA:
undetectable		 2xffA-1fhfA:
21.46
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.
1h81 POLYAMINE OXIDASE

(Zea mays) 		PF01593
(Amino_oxidase) 		5 ALA A  36
GLU A  35
TYR A 399
TRP A 393
GLY A  41
 FAD  A 579 (-3.5A)
FAD  A 579 (-2.7A)
FAD  A 579 (-4.3A)
FAD  A 579 ( 3.8A)
None
 1.32A 2xffA-1h81A:
0.0		 2xffA-1h81A:
21.14
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.
1sgm PUTATIVE HTH-TYPE
TRANSCRIPTIONAL
REGULATOR YXAF

(Bacillus
subtilis) 		PF00440
(TetR_N) 		5 ALA A  58
SER A  19
GLY A  23
HIS A  25
THR A  27
 None
 1.44A 2xffA-1sgmA:
undetectable		 2xffA-1sgmA:
15.82
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.
1u9c APC35852

(Geobacillus
stearothermophilus) 		PF01965
(DJ-1_PfpI) 		5 ALA A 124
GLY A  95
HIS A  96
THR A  98
MET A 166
 None
 1.35A 2xffA-1u9cA:
0.3		 2xffA-1u9cA:
18.40
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.
1u9c APC35852

(Geobacillus
stearothermophilus) 		PF01965
(DJ-1_PfpI) 		5 TRP A 187
GLY A  95
HIS A  96
THR A  98
MET A 166
 None
 1.48A 2xffA-1u9cA:
0.3		 2xffA-1u9cA:
18.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ven BETA-AMYLASE

(Bacillus cereus) 		PF00686
(CBM_20)
PF01373
(Glyco_hydro_14) 		8 ALA A 170
GLU A 172
ARG A 174
TYR A 178
GLY A 290
HIS A 292
THR A 330
MET A 334
 GLC  A 900 ( 4.0A)
None
None
GLC  A 903 (-4.5A)
None
GLC  A 903 (-4.2A)
None
GLC  A 903 (-4.2A)
 0.40A 2xffA-1venA:
41.4		 2xffA-1venA:
31.53
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.
1yll CONSERVED
HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF05962
(HutD) 		5 ALA A 190
GLU A 192
ARG A 121
GLY A 135
HIS A 134
 None
 1.19A 2xffA-1yllA:
undetectable		 2xffA-1yllA:
17.39
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.
2ffu POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 ALA A 148
GLU A 147
PHE A 361
SER A 225
THR A 155
 None
None
None
UDP  A 601 (-2.9A)
None
 1.28A 2xffA-2ffuA:
0.0		 2xffA-2ffuA:
19.89
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.
2fgt TWO-COMPONENT SYSTEM
YYCF/YYCG REGULATORY
PROTEIN YYCH

(Bacillus
subtilis) 		PF07435
(YycH) 		5 ALA A 246
GLU A  53
TYR A 366
SER A 313
THR A 315
 None
 1.43A 2xffA-2fgtA:
undetectable		 2xffA-2fgtA:
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.
2vx2 ENOYL-COA HYDRATASE
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF00378
(ECH_1) 		5 ALA A  98
SER A 104
GLY A 106
HIS A 107
THR A  69
 None
 1.43A 2xffA-2vx2A:
0.0		 2xffA-2vx2A:
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.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		5 ARG A 897
TYR A 666
SER A 899
GLY A 900
THR A 903
 None
 1.32A 2xffA-2xt6A:
undetectable		 2xffA-2xt6A:
18.78
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.
2yv9 CHLORIDE
INTRACELLULAR
CHANNEL EXC-4

(Caenorhabditis
elegans) 		no annotation 5 ALA A 239
ARG A  32
GLN A 262
SER A  26
GLY A  27
 None
 1.19A 2xffA-2yv9A:
undetectable		 2xffA-2yv9A:
22.00
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 ALA A1382
PHE A1343
SER A1249
GLY A1250
THR A1307
 None
CER  A2748 (-4.5A)
None
CER  A2748 ( 4.6A)
None
 1.19A 2xffA-3hmjA:
undetectable		 2xffA-3hmjA:
14.09
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.
3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE

(Pseudomonas
putida) 		PF12697
(Abhydrolase_6) 		5 TRP A 178
PHE A 149
GLY A  29
HIS A  96
THR A  94
 None
 1.27A 2xffA-3ibtA:
undetectable		 2xffA-3ibtA:
18.74
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.
3m6i L-ARABINITOL
4-DEHYDROGENASE

(Neurospora
crassa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ARG A 138
PHE A 127
GLY A  77
HIS A  78
THR A  50
 None
None
None
ZN  A 401 (-3.6A)
None
 1.30A 2xffA-3m6iA:
undetectable		 2xffA-3m6iA:
20.37
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.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT ALPHA
SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA

(Archaeoglobus
fulgidus) 		PF00037
(Fer4)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 GLU B  91
ARG B  83
PHE A 183
HIS B  33
THR B 118
 SRM  B 570 ( 4.1A)
SRM  B 570 (-2.9A)
SRM  B 570 (-3.2A)
SRM  B 570 (-3.8A)
SRM  B 570 (-4.3A)
 1.46A 2xffA-3mm5B:
undetectable		 2xffA-3mm5B:
20.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3voc BETA/ALPHA-AMYLASE

(Paenibacillus
polymyxa) 		PF01373
(Glyco_hydro_14) 		9 GLU A 163
ARG A 165
TYR A 169
TRP A 175
SER A 281
GLY A 282
HIS A 284
THR A 322
MET A 326
 None
None
None
None
None
None
GOL  A 508 ( 4.7A)
None
None
 0.58A 2xffA-3vocA:
42.5		 2xffA-3vocA:
31.31
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.
4cuo BANYAN PEROXIDASE

(Ficus
benghalensis) 		PF00141
(peroxidase) 		5 ALA A 134
GLU A  64
GLN A 155
SER A  52
GLY A  51
 None
NA  A1328 ( 4.5A)
None
NA  A1328 ( 2.1A)
None
 1.20A 2xffA-4cuoA:
undetectable		 2xffA-4cuoA:
20.15
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.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Rickettsia
rickettsii) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A 250
PHE A 216
SER A 120
GLY A 121
THR A 179
 None
 1.27A 2xffA-4jgaA:
undetectable		 2xffA-4jgaA:
23.26
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.
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos taurus) 		PF00085
(Thioredoxin)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 GLU A 499
ARG A 493
PHE A 441
GLY A 399
HIS A 559
 IOD  A 711 ( 4.0A)
IOD  A 711 ( 4.7A)
None
None
None
 1.26A 2xffA-4kcaA:
undetectable		 2xffA-4kcaA:
21.89
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.
4n17 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Burkholderia
ambifaria) 		PF03480
(DctP) 		5 GLU A 236
ARG A  89
GLY A  92
THR A 234
MET A 176
 GTR  A 401 (-2.9A)
GTR  A 401 (-2.7A)
None
None
None
 1.39A 2xffA-4n17A:
undetectable		 2xffA-4n17A:
20.89
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.
4wjb PUTATIVE
AMIDOHYDROLASE/PEPTI
DASE

(Burkholderia
cenocepacia) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ALA A 113
GLU A 109
ARG A  15
GLY A  13
THR A 399
 None
 1.14A 2xffA-4wjbA:
undetectable		 2xffA-4wjbA:
22.75
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.
5fxe EUGENOL OXIDASE

(Rhodococcus
jostii) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 ALA A  51
TRP A 517
PHE A 521
GLY A 100
THR A   4
 None
GOL  A1530 (-3.5A)
None
None
None
 1.42A 2xffA-5fxeA:
undetectable		 2xffA-5fxeA:
22.00
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.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 ALA A 132
ARG A 150
TYR A 460
HIS A 386
THR A 212
 None
None
None
COH  A 602 (-3.7A)
COH  A 602 (-2.4A)
 1.12A 2xffA-5ikrA:
undetectable		 2xffA-5ikrA:
21.84
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.
5m32 PROTEASOME SUBUNIT
BETA TYPE-2

(Homo sapiens) 		PF00227
(Proteasome) 		5 ALA J  22
GLU J   2
GLY J  48
HIS J  99
THR J  53
 None
 1.42A 2xffA-5m32J:
undetectable		 2xffA-5m32J:
16.88
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.
5ndf POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		no annotation 5 ALA A 148
GLU A 147
PHE A 361
SER A 225
THR A 155
 None
None
LU2  A 608 ( 3.4A)
UDP  A 602 (-2.9A)
None
 1.28A 2xffA-5ndfA:
undetectable		 2xffA-5ndfA:
20.51
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 GLU A 335
TYR A 344
TRP A 374
PHE A 371
GLY A 310
 None
 1.24A 2xffA-5wp4A:
undetectable		 2xffA-5wp4A:
22.56
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 5 GLU A 335
TYR A 344
TRP A 374
PHE A 371
GLY A 310
 None
 1.27A 2xffA-5wp5A:
undetectable		 2xffA-5wp5A:
23.38
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.
5wqs BETA-AMYLASE

(Ipomoea batatas) 		no annotation 11 ALA A 185
GLU A 187
ARG A 189
TYR A 193
TRP A 199
PHE A 201
SER A 299
GLY A 300
HIS A 302
THR A 344
MET A 348
 None
None
None
None
None
IPA  A 501 ( 4.4A)
None
None
IPA  A 501 (-4.5A)
None
IPA  A 501 ( 4.4A)
 0.73A 2xffA-5wqsA:
61.0		 2xffA-5wqsA:
11.81