SIMILAR PATTERNS OF AMINO ACIDS FOR 1P33_D_MTXD354_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.
1a88 CHLOROPEROXIDASE L

(Streptomyces
lividans) 		PF00561
(Abhydrolase_1) 		5 PHE A 168
PRO A 161
LEU A 179
LEU A 253
PRO A 254
 None
 1.47A 1p33D-1a88A:
5.1		 1p33D-1a88A:
23.20
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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		5 SER A 306
PHE A 103
PRO A 105
LEU A 366
PRO A 367
 None
 1.38A 1p33D-1h3gA:
1.2		 1p33D-1h3gA:
20.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi) 		PF13561
(adh_short_C2) 		10 ARG A  22
SER A 103
PRO A 107
ASP A 169
LEU A 176
TYR A 182
LEU A 217
PRO A 218
MET A 221
TYR A 229
 NDP  A1277 ( 3.9A)
MTX  A1278 ( 2.7A)
None
NDP  A1277 (-3.9A)
MTX  A1278 (-4.5A)
MTX  A1278 ( 4.7A)
None
MTX  A1278 ( 4.1A)
MTX  A1278 (-4.6A)
None
 0.49A 1p33D-1mxfA:
40.6		 1p33D-1mxfA:
49.83
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.
1wk9 VALYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1) 		5 ASP A 223
LEU A 200
TYR A 202
LEU A 309
PRO A 306
 None
 1.47A 1p33D-1wk9A:
undetectable		 1p33D-1wk9A:
22.22
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.
2ga8 HYPOTHETICAL 39.9
KDA PROTEIN

(Saccharomyces
cerevisiae) 		PF07728
(AAA_5) 		5 PHE A 190
PRO A 187
ASP A 162
LEU A 268
TYR A 269
 None
 1.44A 1p33D-2ga8A:
undetectable		 1p33D-2ga8A:
21.62
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.
2pyt ETHANOLAMINE
UTILIZATION PROTEIN
EUTQ

(Salmonella
enterica) 		PF06249
(EutQ) 		5 SER A 111
PRO A 107
ASP A 149
LEU A 218
TYR A 219
 None
 1.42A 1p33D-2pytA:
undetectable		 1p33D-2pytA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qhx PTERIDINE REDUCTASE
1

(Leishmania
major) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		9 ARG A  17
SER A 111
PHE A 113
PRO A 115
ASP A 181
LEU A 188
TYR A 191
TYR A 194
LEU A 229
 NAP  A1300 ( 3.7A)
FE1  A1301 ( 2.8A)
FE1  A1301 (-3.4A)
None
NAP  A1300 ( 3.6A)
FE1  A1301 (-4.5A)
None
FE1  A1301 ( 4.5A)
None
 0.41A 1p33D-2qhxA:
43.9		 1p33D-2qhxA:
71.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qhx PTERIDINE REDUCTASE
1

(Leishmania
major) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 SER A 111
PHE A 113
PRO A 115
TYR A 191
LEU A 226
 FE1  A1301 ( 2.8A)
FE1  A1301 (-3.4A)
None
None
FE1  A1301 ( 4.9A)
 1.01A 1p33D-2qhxA:
43.9		 1p33D-2qhxA:
71.04
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.
2zt9 CYTOCHROME B6
CYTOCHROME B6-F
COMPLEX SUBUNIT 4

(Nostoc sp. PCC
7120) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		5 SER A  91
PRO B  77
TYR B  80
LEU A 138
TYR A 183
 None
None
None
HEM  A 301 ( 4.2A)
None
 1.50A 1p33D-2zt9A:
undetectable		 1p33D-2zt9A:
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.
3dzb PREPHENATE
DEHYDROGENASE

(Streptococcus
thermophilus) 		PF02153
(PDH) 		5 PHE A 148
PRO A 124
LEU A 166
TYR A 146
TYR A 173
 None
 1.43A 1p33D-3dzbA:
6.5		 1p33D-3dzbA:
23.84
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.
3etc AMP-BINDING PROTEIN

(Methanosarcina
acetivorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 PRO A 227
LEU A 262
TYR A 263
LEU A  93
PRO A 117
 None
 1.24A 1p33D-3etcA:
3.8		 1p33D-3etcA:
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.
3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2

(Homo sapiens) 		PF01401
(Peptidase_M2) 		5 SER A 409
PRO A 415
ASP A 367
LEU A 444
TYR A 279
 None
 1.26A 1p33D-3kbhA:
undetectable		 1p33D-3kbhA:
17.11
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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		5 ARG A 152
PRO A  12
LEU A 447
TYR A 453
TYR A  91
 None
 1.14A 1p33D-3ob8A:
undetectable		 1p33D-3ob8A:
14.33
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.
3tex PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		5 SER A 234
PHE A 236
PRO A 154
LEU A 187
PRO A 184
 None
 1.45A 1p33D-3texA:
undetectable		 1p33D-3texA:
18.82
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.
4irq BETA-1,4-GALACTOSYLT
RANSFERASE 7

(Homo sapiens) 		PF02709
(Glyco_transf_7C)
PF13733
(Glyco_transf_7N) 		5 SER A 152
PRO A 100
LEU A 119
MET A 115
TYR A 175
 None
UDP  A 402 (-4.2A)
None
None
None
 1.46A 1p33D-4irqA:
undetectable		 1p33D-4irqA:
20.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wcd PTERIDINE REDUCTASE

(Trypanosoma
brucei) 		PF13561
(adh_short_C2) 		9 ARG A  14
SER A  95
PHE A  97
PRO A  99
ASP A 161
TYR A 174
LEU A 209
PRO A 210
MET A 213
 NAP  A 301 (-3.7A)
NAP  A 301 ( 3.1A)
3KH  A 302 (-3.5A)
None
NAP  A 301 ( 3.8A)
3KH  A 302 ( 4.7A)
None
3KH  A 302 ( 4.0A)
None
 0.52A 1p33D-4wcdA:
41.2		 1p33D-4wcdA:
50.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tgd FOLM ALTERNATIVE
DIHYDROFOLATE
REDUCTASE

(Brucella suis) 		PF00106
(adh_short) 		5 ARG A  31
SER A 105
PHE A 107
ASP A 155
TYR A 168
 NAP  A 301 (-3.9A)
NAP  A 301 (-3.0A)
None
NAP  A 301 ( 3.8A)
None
 0.47A 1p33D-5tgdA:
30.8		 1p33D-5tgdA:
31.51
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.
5uid AMINOTRANSFERASE
TLMJ

(Streptoalloteichus
hindustanus) 		PF01041
(DegT_DnrJ_EryC1) 		5 ARG A 266
PHE A 299
TYR A 327
TYR A 131
MET A 183
 LLP  A 184 ( 4.7A)
None
LLP  A 184 ( 4.3A)
None
None
 1.41A 1p33D-5uidA:
3.2		 1p33D-5uidA:
22.49
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 5 ARG A 498
PHE A 414
LEU A 384
LEU A 496
MET A 478
 None
 1.43A 1p33D-5zlnA:
undetectable		 1p33D-5zlnA:
15.67
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.
6dk2 -

(-) 		no annotation 5 PHE A 488
PRO A 491
LEU A  70
TYR A  64
LEU A 397
 None
 1.19A 1p33D-6dk2A:
undetectable		 1p33D-6dk2A:
undetectable