SIMILAR PATTERNS OF AMINO ACIDS FOR 3AVO_A_PAUA314_0

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.
1m72 CASPASE-1

(Spodoptera
frugiperda) 		PF00656
(Peptidase_C14) 		5 VAL A 131
LEU A 142
TYR A 149
PHE A 232
ILE A 212
 None
 1.42A 3avoA-1m72A:
0.0		 3avoA-1m72A:
20.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sq5 PANTOTHENATE KINASE

(Escherichia
coli) 		PF00485
(PRK) 		5 ASP A1127
LEU A1130
LYS A1145
TYR A1175
ASN A1285
 PAU  A6001 (-2.9A)
None
None
None
None
 1.38A 3avoA-1sq5A:
37.3		 3avoA-1sq5A:
51.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sq5 PANTOTHENATE KINASE

(Escherichia
coli) 		PF00485
(PRK) 		10 VAL A1097
ASP A1127
LEU A1130
LYS A1145
TYR A1151
TYR A1175
HIS A1177
TYR A1180
ILE A1281
ASN A1282
 ADP  A5001 ( 4.4A)
PAU  A6001 (-2.9A)
None
None
None
None
PAU  A6001 (-4.2A)
None
PAU  A6001 (-3.7A)
PAU  A6001 (-3.0A)
 0.56A 3avoA-1sq5A:
37.3		 3avoA-1sq5A:
51.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sq5 PANTOTHENATE KINASE

(Escherichia
coli) 		PF00485
(PRK) 		6 VAL A1097
ASP A1127
TYR A1175
HIS A1177
PHE A1259
ASN A1282
 ADP  A5001 ( 4.4A)
PAU  A6001 (-2.9A)
None
PAU  A6001 (-4.2A)
None
PAU  A6001 (-3.0A)
 1.13A 3avoA-1sq5A:
37.3		 3avoA-1sq5A:
51.06
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.
2ei0 1,2-DIHYDROXYNAPHTHA
LENE DIOXYGENASE

(Pseudomonas sp.
C18) 		PF00903
(Glyoxalase) 		5 LEU A 242
TYR A 256
HIS A 215
PHE A 192
ILE A 180
 None
BP7  A 400 ( 4.7A)
FE2  A 399 ( 3.3A)
BP7  A 401 ( 4.1A)
BP7  A 400 ( 4.9A)
 1.23A 3avoA-2ei0A:
0.0		 3avoA-2ei0A:
22.70
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.
2p9n ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 1B

(Bos taurus) 		PF00400
(WD40) 		5 VAL C 113
LEU C  90
TYR C  77
HIS C  51
ILE C  95
 None
 1.46A 3avoA-2p9nC:
0.0		 3avoA-2p9nC:
21.01
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.
2qpm CYTOKININ
DEHYDROGENASE 1

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 LEU A 229
HIS A 504
TYR A 491
PHE A 401
ILE A 195
 None
None
FAD  A1535 ( 4.3A)
None
None
 1.31A 3avoA-2qpmA:
0.0		 3avoA-2qpmA:
23.36
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.
2uwb CELLULASE

(Tropaeolum
majus) 		PF00722
(Glyco_hydro_16)
PF06955
(XET_C) 		5 LEU A  68
TYR A 108
TYR A 205
PHE A  51
ILE A  97
 None
 1.47A 3avoA-2uwbA:
undetectable		 3avoA-2uwbA:
19.88
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.
3hin PUTATIVE
3-HYDROXYBUTYRYL-COA
DEHYDRATASE

(Rhodopseudomonas
palustris) 		PF00378
(ECH_1) 		5 VAL A  62
LEU A  18
HIS A  65
PHE A  71
ILE A 102
 None
 1.28A 3avoA-3hinA:
0.6		 3avoA-3hinA:
23.31
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.
3pps LACCASE

(Thielavia
arenaria) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 297
HIS A 509
PHE A 371
ILE A 427
ASN A 425
 None
CU  A 601 (-3.1A)
None
None
None
 1.18A 3avoA-3ppsA:
0.0		 3avoA-3ppsA:
19.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tqc PANTOTHENATE KINASE

(Coxiella
burnetii) 		PF00485
(PRK) 		10 VAL A  98
ASP A 128
LEU A 131
LYS A 146
TYR A 152
TYR A 176
HIS A 178
TYR A 181
PHE A 260
ILE A 282
 ADP  A 500 ( 4.4A)
None
None
None
None
None
None
None
None
None
 0.66A 3avoA-3tqcA:
37.4		 3avoA-3tqcA:
51.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tqc PANTOTHENATE KINASE

(Coxiella
burnetii) 		PF00485
(PRK) 		10 VAL A  98
LEU A 131
LYS A 146
TYR A 152
TYR A 176
HIS A 178
TYR A 181
PHE A 260
ILE A 282
ASN A 283
 ADP  A 500 ( 4.4A)
None
None
None
None
None
None
None
None
None
 0.57A 3avoA-3tqcA:
37.4		 3avoA-3tqcA:
51.07
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.
4apm APICAL MEMBRANE
ANTIGEN 1

(Babesia
divergens) 		PF02430
(AMA-1) 		5 ASP A 350
LEU A 351
TYR A 117
PHE A 344
ILE A 145
 None
 1.15A 3avoA-4apmA:
undetectable		 3avoA-4apmA:
20.90
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.
4lt5 NAEGLERIA TET-LIKE
DIOXYGENASE

(Naegleria
gruberi) 		no annotation 5 VAL A 293
ASP A 234
HIS A 297
ILE A 225
ASN A 214
 OGA  A 413 (-4.9A)
None
None
OGA  A 413 (-4.1A)
OGA  A 413 (-3.3A)
 1.49A 3avoA-4lt5A:
undetectable		 3avoA-4lt5A:
21.88
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.
5l6s GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF00483
(NTP_transferase) 		5 ASP A 289
LEU A 297
TYR A 273
PHE A 351
ILE A  53
 None
 1.44A 3avoA-5l6sA:
undetectable		 3avoA-5l6sA:
21.88
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.
5w6l RTX
REPEAT-CONTAINING
CYTOTOXIN

(Vibrio
vulnificus) 		no annotation 5 VAL A3665
LEU A3598
HIS A3624
ILE A3642
ASN A3639
 VAL  A3665 ( 0.6A)
LEU  A3598 ( 0.6A)
HIS  A3624 ( 1.0A)
ILE  A3642 ( 0.7A)
ASN  A3639 ( 0.6A)
 1.31A 3avoA-5w6lA:
undetectable		 3avoA-5w6lA:
undetectable
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.
5xmb PANTOTHENATE KINASE

(Mycobacterium
tuberculosis) 		no annotation 8 VAL A  99
ASP A 129
LEU A 132
TYR A 153
TYR A 177
HIS A 179
ILE A 276
ASN A 277
 SO4  A 401 ( 4.2A)
None
None
None
None
None
None
None
 0.87A 3avoA-5xmbA:
37.7		 3avoA-5xmbA:
undetectable
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.
5xmb PANTOTHENATE KINASE

(Mycobacterium
tuberculosis) 		no annotation 7 VAL A  99
ASP A 129
LYS A 147
TYR A 177
HIS A 179
ILE A 276
ASN A 277
 SO4  A 401 ( 4.2A)
None
None
None
None
None
None
 1.17A 3avoA-5xmbA:
37.7		 3avoA-5xmbA:
undetectable
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.
5xmb PANTOTHENATE KINASE

(Mycobacterium
tuberculosis) 		no annotation 7 VAL A  99
ASP A 129
TYR A 177
HIS A 179
TYR A 182
ILE A 276
ASN A 277
 SO4  A 401 ( 4.2A)
None
None
None
None
None
None
 1.12A 3avoA-5xmbA:
37.7		 3avoA-5xmbA:
undetectable