SIMILAR PATTERNS OF AMINO ACIDS FOR 4PEV_A_ADNA501_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.
1cjy PROTEIN (CYTOSOLIC
PHOSPHOLIPASE A2)

(Homo sapiens) 		PF00168
(C2)
PF01735
(PLA2_B) 		5 VAL A 203
SER A 228
PHE A 295
PHE A 199
GLY A 198
 None
 1.47A 4pevA-1cjyA:
1.2		 4pevA-1cjyA:
20.26
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.
1m7s CATALASE

(Pseudomonas
syringae) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ASP A 215
ASN A 217
PHE A 138
PHE A 134
GLY A 149
 None
None
None
None
HEM  A 600 (-4.0A)
 1.26A 4pevA-1m7sA:
undetectable		 4pevA-1m7sA:
23.29
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.
1zip ADENYLATE KINASE

(Geobacillus
stearothermophilus) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 VAL A  59
SER A  30
GLY A  32
ASP A  84
LYS A  13
 AP5  A 218 (-4.0A)
AP5  A 218 ( 4.6A)
AP5  A 218 (-3.6A)
MN  A 220 ( 4.3A)
AP5  A 218 (-3.0A)
 1.48A 4pevA-1zipA:
2.3		 4pevA-1zipA:
21.60
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.
2fqx MEMBRANE LIPOPROTEIN
TMPC

(Treponema
pallidum) 		PF02608
(Bmp) 		7 ASP A  27
SER A  35
ASN A  37
ASP A 108
PHE A 161
PHE A 186
GLY A 212
 GMP  A 400 (-2.9A)
GMP  A 400 ( 4.6A)
GMP  A 400 (-3.3A)
GMP  A 400 (-3.3A)
GMP  A 400 ( 4.8A)
GMP  A 400 (-3.4A)
GMP  A 400 (-3.3A)
 0.98A 4pevA-2fqxA:
39.8		 4pevA-2fqxA:
28.05
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.
2fqx MEMBRANE LIPOPROTEIN
TMPC

(Treponema
pallidum) 		PF02608
(Bmp) 		5 ASP A 263
VAL A 264
ASP A 238
PHE A 161
ASP A 108
 None
None
GMP  A 400 (-2.9A)
GMP  A 400 ( 4.8A)
GMP  A 400 (-3.3A)
 1.16A 4pevA-2fqxA:
39.8		 4pevA-2fqxA:
28.05
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.
2fqx MEMBRANE LIPOPROTEIN
TMPC

(Treponema
pallidum) 		PF02608
(Bmp) 		9 SER A  35
PHE A  36
ASN A  37
ASP A 108
PHE A 161
PHE A 186
GLY A 212
ASP A 238
LYS A 260
 GMP  A 400 ( 4.6A)
GMP  A 400 (-3.8A)
GMP  A 400 (-3.3A)
GMP  A 400 (-3.3A)
GMP  A 400 ( 4.8A)
GMP  A 400 (-3.4A)
GMP  A 400 (-3.3A)
GMP  A 400 (-2.9A)
GMP  A 400 (-2.8A)
 0.70A 4pevA-2fqxA:
39.8		 4pevA-2fqxA:
28.05
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.
2j7c BETA-GLUCOSIDASE A

(Thermotoga
maritima) 		PF00232
(Glyco_hydro_1) 		5 VAL A  14
SER A 431
ASP A 402
GLY A 432
ASP A 368
 None
 1.35A 4pevA-2j7cA:
1.4		 4pevA-2j7cA:
21.48
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.
2pwh SUCROSE ISOMERASE

([Pseudomonas]
mesoacidophila) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 VAL A 387
SER A 143
PHE A 145
ASP A  61
GLY A 146
 None
 1.50A 4pevA-2pwhA:
undetectable		 4pevA-2pwhA:
20.81
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.
2qts ACID-SENSING ION
CHANNEL

(Gallus gallus) 		PF00858
(ASC) 		5 ASP A 108
VAL A 104
PHE A 189
PHE A  99
GLY A 163
 None
 1.43A 4pevA-2qtsA:
undetectable		 4pevA-2qtsA:
21.15
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.
2v95 CORTICOSTEROID-BINDI
NG GLOBULIN

(Rattus
norvegicus) 		PF00079
(Serpin) 		5 VAL A 144
SER A 157
PHE A 156
ASN A 141
ASP A 160
 None
 1.38A 4pevA-2v95A:
undetectable		 4pevA-2v95A:
21.28
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.
3bxw CHITINASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		no annotation 5 ASP B 283
VAL B 333
SER B 242
GLY B 248
GLN B 246
 None
 1.37A 4pevA-3bxwB:
undetectable		 4pevA-3bxwB:
21.27
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.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 ASP A 225
SER A 589
GLY A 585
GLN A 215
ASP A 212
 None
 1.35A 4pevA-3cf4A:
4.0		 4pevA-3cf4A:
19.49
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.
3f65 CHAPERONE PROTEIN
FAEE

(Escherichia
coli) 		PF00345
(PapD_N) 		5 PHE A  31
ASN A  24
GLY A  33
GLN A  88
ASP A  89
 None
 1.35A 4pevA-3f65A:
undetectable		 4pevA-3f65A:
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.
3fb4 ADENYLATE KINASE

(Jeotgalibacillus
marinus) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 VAL A  59
SER A  30
GLY A  32
ASP A  84
LYS A  13
 AP5  A   0 (-4.0A)
AP5  A   0 ( 4.6A)
AP5  A   0 (-3.6A)
None
AP5  A   0 (-3.1A)
 1.49A 4pevA-3fb4A:
3.8		 4pevA-3fb4A:
20.99
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.
3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM

(Serratia
plymuthica) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 VAL A 402
SER A 157
PHE A 159
ASP A  75
GLY A 160
 None
None
None
EDO  A8003 (-2.8A)
EDO  A8004 (-3.7A)
 1.49A 4pevA-3gbdA:
1.3		 4pevA-3gbdA:
20.21
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.
3gdo UNCHARACTERIZED
OXIDOREDUCTASE YVAA

(Bacillus
subtilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 VAL A 208
SER A 238
ASP A 185
PHE A 221
GLY A 237
 None
 1.42A 4pevA-3gdoA:
6.0		 4pevA-3gdoA:
22.53
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.
3so4 METHIONINE-ADENOSYLT
RANSFERASE

(Entamoeba
histolytica) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 ASP A  18
ASP A 245
PHE A 237
GLY A  15
GLN A 195
 ACT  A 400 (-3.7A)
None
None
None
None
 1.43A 4pevA-3so4A:
undetectable		 4pevA-3so4A:
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.
4a0u TAIL FIBER PROTEIN

(Escherichia
virus T7) 		PF12604
(gp37_C) 		5 VAL A 473
SER A 483
PHE A 535
GLY A 534
GLN A 527
 None
 1.07A 4pevA-4a0uA:
undetectable		 4pevA-4a0uA:
19.48
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.
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis vinifera) 		PF00701
(DHDPS) 		5 VAL A  66
SER A  95
PHE A  92
ASP A  50
GLY A  93
 None
 1.37A 4pevA-4hnnA:
1.3		 4pevA-4hnnA:
22.51
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.
4q6p CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF17033
(Peptidase_M99)
PF17129
(Peptidase_M99_C)
PF17130
(Peptidase_M99_m) 		5 VAL A  75
ASP A  48
PHE A  53
GLY A  52
ASP A 129
 None
 1.45A 4pevA-4q6pA:
2.7		 4pevA-4q6pA:
21.97
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		5 SER A 622
PHE A 642
ASP A 538
GLY A 640
ASP A 623
 None
 1.32A 4pevA-4rkuA:
undetectable		 4pevA-4rkuA:
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.
4z48 UNCHARACTERIZED
PROTEIN

(Desulfovibrio
piger) 		PF17131
(LolA_like) 		5 ASP A  43
VAL A 153
ASN A 149
GLY A 108
ASP A  83
 None
 1.41A 4pevA-4z48A:
undetectable		 4pevA-4z48A:
20.80
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.
4z64 PHYTOSULFOKINE
RECEPTOR 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ASP A 502
SER A 252
ASN A 298
GLN A 228
ASP A 250
 None
 1.25A 4pevA-4z64A:
undetectable		 4pevA-4z64A:
18.68
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.
5anp BA41

(Bizionia
argentinensis) 		PF04536
(TPM_phosphatase) 		5 ASP A 147
ASP A 166
PHE A 151
GLY A 159
LYS A  65
 None
 1.17A 4pevA-5anpA:
undetectable		 4pevA-5anpA:
19.59
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.
5czy LEGIONELLA EFFECTOR
LEGAS4

(Legionella
pneumophila) 		PF00023
(Ank)
PF00856
(SET) 		5 ASP A 406
SER A 198
ASP A 409
PHE A 246
ASP A 197
 GOL  A 601 (-4.9A)
None
None
None
None
 1.47A 4pevA-5czyA:
undetectable		 4pevA-5czyA:
22.28
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.
5fav CHOLINE
TRIMETHYLAMINE-LYASE

(Desulfovibrio
alaskensis) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ASP A 205
SER A 701
PHE A 388
ASN A 702
GLN A 155
 None
 1.41A 4pevA-5favA:
undetectable		 4pevA-5favA:
19.95
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.
5idi 1,4-BETA-D-GLUCAN
GLUCOHYDROLASE

(Thermotoga
neapolitana) 		PF00232
(Glyco_hydro_1) 		5 VAL A  12
SER A 429
ASP A 400
GLY A 430
ASP A 366
 None
 1.38A 4pevA-5idiA:
undetectable		 4pevA-5idiA:
20.62
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.
5nz7 CELLODEXTRIN
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 VAL A 718
SER A 659
ASP A 618
GLY A 610
LYS A 638
 None
 1.44A 4pevA-5nz7A:
undetectable		 4pevA-5nz7A:
19.37
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 5 SER 1 615
PHE 1 635
ASP 1 531
GLY 1 633
ASP 1 616
 None
 1.45A 4pevA-5oy01:
undetectable		 4pevA-5oy01:
15.61
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.
5xru ADENYLATE KINASE

(Notothenia
coriiceps) 		no annotation 5 VAL A  67
SER A  38
GLY A  40
ASP A  93
LYS A  21
 AP5  A 201 (-4.0A)
AP5  A 201 ( 4.8A)
AP5  A 201 (-3.5A)
AP5  A 201 ( 4.7A)
AP5  A 201 (-2.8A)
 1.45A 4pevA-5xruA:
3.6		 4pevA-5xruA:
10.90