SIMILAR PATTERNS OF AMINO ACIDS FOR 5P9I_A_1E8A701_2

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.
1k2p TYROSINE-PROTEIN
KINASE BTK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 408
TYR A 476
MET A 477
CYH A 481
 None
 1.03A 5p9iA-1k2pA:
33.6		 5p9iA-1k2pA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k2p TYROSINE-PROTEIN
KINASE BTK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 TYR A 476
MET A 477
CYH A 481
ASP A 539
 None
 0.54A 5p9iA-1k2pA:
33.6		 5p9iA-1k2pA:
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.
1zcj PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 LEU A 484
TYR A 649
CYH A 622
ASP A 505
 None
 1.36A 5p9iA-1zcjA:
undetectable		 5p9iA-1zcjA:
21.63
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.
2f9y ACETYL-COA
CARBOXYLASE,
CARBOXYLTRANSFERASE
ALPHA CHAIN

(Escherichia
coli) 		PF03255
(ACCA) 		4 LEU A 220
TYR A  78
CYH A 197
ASP A 293
 None
 1.23A 5p9iA-2f9yA:
0.0		 5p9iA-2f9yA:
21.08
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.
2h8h PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 LEU A 273
TYR A 340
MET A 341
ASP A 404
 H8H  A 534 (-3.8A)
H8H  A 534 (-4.3A)
None
H8H  A 534 (-4.2A)
 0.62A 5p9iA-2h8hA:
35.2		 5p9iA-2h8hA:
22.20
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.
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		4 LEU X  34
TYR X 119
MET X 120
ASP X 190
 HMD  X 400 ( 4.3A)
HMD  X 400 (-4.5A)
None
HMD  X 400 (-3.7A)
 0.96A 5p9iA-2pmoX:
21.4		 5p9iA-2pmoX:
26.22
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 LEU A 484
TYR A 649
CYH A 622
ASP A 505
 None
 1.36A 5p9iA-2x58A:
undetectable		 5p9iA-2x58A:
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.
3aag GENERAL
GLYCOSYLATION
PATHWAY PROTEIN

(Campylobacter
jejuni) 		PF02516
(STT3) 		4 LEU A 440
TYR A 563
MET A 564
ASP A 698
 None
 1.23A 5p9iA-3aagA:
undetectable		 5p9iA-3aagA:
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.
3e5z PUTATIVE
GLUCONOLACTONASE

(Deinococcus
radiodurans) 		PF08450
(SGL) 		4 LEU A  89
TYR A 144
CYH A  85
ASP A 132
 None
 1.21A 5p9iA-3e5zA:
undetectable		 5p9iA-3e5zA:
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.
3g6n PEPTIDE DEFORMYLASE

(Enterococcus
faecium) 		PF01327
(Pep_deformylase) 		4 LEU A 108
TYR A 150
CYH A 114
ASP A 160
 None
None
FE  A 188 (-2.3A)
None
 1.18A 5p9iA-3g6nA:
undetectable		 5p9iA-3g6nA:
21.98
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.
3jck 26S PROTEASOME
REGULATORY SUBUNIT
RPN3

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF08375
(Rpn3_C) 		4 LEU A 379
TYR A 286
MET A 324
CYH A 318
 None
 1.50A 5p9iA-3jckA:
undetectable		 5p9iA-3jckA:
19.33
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.
3k1j ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF05362
(Lon_C)
PF13654
(AAA_32) 		4 LEU A 298
TYR A 320
MET A 321
ASP A 245
 None
 1.09A 5p9iA-3k1jA:
undetectable		 5p9iA-3k1jA:
19.00
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 LEU A1126
TYR A1173
MET A1174
ASP A1649
 None
 1.15A 5p9iA-3topA:
1.2		 5p9iA-3topA:
14.98
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		4 LEU B 246
TYR A 353
MET B 227
ASP B 233
 None
 1.45A 5p9iA-4cakB:
undetectable		 5p9iA-4cakB:
16.50
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.
4cot EXTRACELLULAR
ENDO-ALPHA-(1->5)-L-
ARABINANASE 2

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 LEU A  99
TYR A 116
MET A 128
CYH A 119
 None
 1.31A 5p9iA-4cotA:
undetectable		 5p9iA-4cotA:
20.59
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.
4d1i BETA-GALACTOSIDASE,
PUTATIVE, BGL35A

(Cellvibrio
japonicus) 		PF02449
(Glyco_hydro_42) 		4 LEU A 128
TYR A 279
MET A 278
ASP A 177
 None
 1.44A 5p9iA-4d1iA:
undetectable		 5p9iA-4d1iA:
19.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k11 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 LEU A 273
TYR A 340
MET A 341
ASP A 404
 0J9  A 601 (-4.0A)
0J9  A 601 ( 4.7A)
None
0J9  A 601 (-3.1A)
 0.36A 5p9iA-4k11A:
35.3		 5p9iA-4k11A:
31.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lgg PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Gallus gallus) 		PF07714
(Pkinase_Tyr) 		4 LEU A 273
TYR A 340
MET A 341
ASP A 404
 VGG  A 601 (-3.2A)
VGG  A 601 ( 4.0A)
None
VGG  A 601 ( 4.7A)
 0.34A 5p9iA-4lggA:
29.2		 5p9iA-4lggA:
37.72
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.
4xgh CITRATE SYNTHASE

(Burkholderia
thailandensis) 		PF00285
(Citrate_synt) 		4 LEU A  99
TYR A  76
CYH A  91
ASP A 225
 None
 1.36A 5p9iA-4xghA:
undetectable		 5p9iA-4xghA:
21.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xi2 TYROSINE-PROTEIN
KINASE BTK

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 LEU A 408
TYR A 476
MET A 477
CYH A 481
ASP A 539
 None
 0.62A 5p9iA-4xi2A:
41.2		 5p9iA-4xi2A:
94.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4y93 NON-SPECIFIC
PROTEIN-TYROSINE
KINASE,NON-SPECIFIC
PROTEIN-TYROSINE
KINASE

(Bos taurus) 		PF00169
(PH)
PF00779
(BTK)
PF07714
(Pkinase_Tyr) 		5 LEU A 408
TYR A 476
MET A 477
CYH A 481
ASP A 539
 746  A 702 (-3.8A)
746  A 702 (-4.4A)
None
None
746  A 702 (-3.7A)
 0.67A 5p9iA-4y93A:
42.6		 5p9iA-4y93A:
60.31
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.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		4 LEU A 220
MET A 225
CYH A 210
ASP A  62
 None
 1.43A 5p9iA-5i0pA:
undetectable		 5p9iA-5i0pA:
21.47
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.
5idt GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Burkholderia
vietnamiensis) 		PF00483
(NTP_transferase) 		4 LEU A 249
TYR A 115
CYH A 253
ASP A  33
 None
 1.16A 5p9iA-5idtA:
undetectable		 5p9iA-5idtA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5j9z EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 718
MET A 793
CYH A 797
ASP A 855
 6HJ  A1101 ( 4.6A)
None
6HJ  A1101 (-1.6A)
6HJ  A1101 (-4.3A)
 0.53A 5p9iA-5j9zA:
29.5		 5p9iA-5j9zA:
33.44
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.
5sxg DNA DC->DU-EDITING
ENZYME APOBEC-3B

(Homo sapiens) 		no annotation 4 LEU A 261
TYR A 218
MET A 235
ASP A 232
 None
 1.30A 5p9iA-5sxgA:
undetectable		 5p9iA-5sxgA:
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.
5vye L-THREONINE ALDOLASE

(Pseudomonas
putida) 		no annotation 4 LEU A 336
MET A 323
CYH A 267
ASP A 327
 None
 1.35A 5p9iA-5vyeA:
undetectable		 5p9iA-5vyeA:
15.50
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.
6ao1 BETA-LACTAMASE
DOMAIN PROTEIN

(Paraburkholderia
phymatum) 		PF00753
(Lactamase_B) 		4 LEU A 220
MET A 225
CYH A 210
ASP A  62
 None
 1.46A 5p9iA-6ao1A:
undetectable		 5p9iA-6ao1A:
23.86