SIMILAR PATTERNS OF AMINO ACIDS FOR 5JL7_A_ASDA601

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.
1i31 CLATHRIN COAT
ASSEMBLY PROTEIN
AP50

(Rattus
norvegicus) 		PF00928
(Adap_comp_sub) 		5 ILE A 263
PHE A 265
VAL A 401
MET A 202
LEU A 404
 None
 1.21A 5jl7A-1i31A:
0.0		 5jl7A-1i31A:
19.14
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.
1wye 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Sulfurisphaera
tokodaii) 		PF00294
(PfkB) 		5 ILE A 179
ILE A 165
ASP A 197
THR A 193
LEU A 202
 None
 1.23A 5jl7A-1wyeA:
0.0		 5jl7A-1wyeA:
22.44
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.
1xp3 ENDONUCLEASE IV

(Bacillus
anthracis) 		PF01261
(AP_endonuc_2) 		5 ILE A 191
PHE A 195
ASP A 180
THR A 147
LEU A 214
 None
None
ZN  A 303 ( 3.3A)
None
None
 1.16A 5jl7A-1xp3A:
0.0		 5jl7A-1xp3A:
21.92
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.
2b8e CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 ILE A 571
ASP A 424
THR A 428
VAL A 635
LEU A 626
 None
 1.35A 5jl7A-2b8eA:
0.0		 5jl7A-2b8eA:
19.07
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.
2bp5 CLATHRIN COAT
ASSEMBLY PROTEIN
AP50

(Rattus
norvegicus) 		PF00928
(Adap_comp_sub) 		5 ILE M 263
PHE M 265
VAL M 401
MET M 202
LEU M 404
 None
 1.32A 5jl7A-2bp5M:
0.0		 5jl7A-2bp5M:
22.18
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.
2f28 SIALIDASE 2

(Homo sapiens) 		PF13088
(BNR_2) 		5 ILE A 191
ASP A 215
THR A 216
VAL A 244
LEU A 240
 None
 1.24A 5jl7A-2f28A:
0.0		 5jl7A-2f28A:
19.47
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.
2i7g MONOOXYGENASE

(Agrobacterium
fabrum) 		PF00296
(Bac_luciferase) 		5 PHE A  45
ILE A 315
ASP A  10
VAL A  57
LEU A  30
 None
 1.42A 5jl7A-2i7gA:
0.0		 5jl7A-2i7gA:
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.
2iht CARBOXYETHYLARGININE
SYNTHASE

(Streptomyces
clavuligerus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 388
ILE A 406
VAL A 488
MET A 382
LEU A 539
 None
 1.47A 5jl7A-2ihtA:
undetectable		 5jl7A-2ihtA:
22.36
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.
2ko1 GTP
PYROPHOSPHOKINASE

(Chlorobaculum
tepidum) 		PF13291
(ACT_4) 		5 ARG A  77
ILE A   8
ILE A  26
THR A  31
VAL A  53
 None
 1.30A 5jl7A-2ko1A:
0.0		 5jl7A-2ko1A:
10.54
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.
2qv3 VACUOLATING
CYTOTOXIN

(Helicobacter
pylori) 		PF02691
(VacA) 		5 ILE A 514
PHE A 512
ILE A 476
THR A 502
VAL A 559
 None
 0.93A 5jl7A-2qv3A:
undetectable		 5jl7A-2qv3A:
22.73
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.
2var FRUCTOKINASE

(Sulfolobus
solfataricus) 		PF00294
(PfkB) 		5 ILE A 180
ILE A 165
ASP A 198
THR A 194
LEU A 203
 None
 1.34A 5jl7A-2varA:
undetectable		 5jl7A-2varA:
21.96
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.
2voy CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 ILE I 571
ASP I 424
THR I 428
VAL I 635
LEU I 626
 None
 1.36A 5jl7A-2voyI:
undetectable		 5jl7A-2voyI:
14.83
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.
3aal PROBABLE
ENDONUCLEASE 4

(Geobacillus
kaustophilus) 		PF01261
(AP_endonuc_2) 		5 ILE A 190
PHE A 194
ASP A 179
THR A 146
LEU A 213
 None
None
FE  A 302 ( 3.2A)
None
None
 1.20A 5jl7A-3aalA:
undetectable		 5jl7A-3aalA:
21.26
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.
3d6j PUTATIVE HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
fragilis) 		PF13419
(HAD_2) 		5 ILE A 132
PHE A 129
ILE A 108
MET A 124
LEU A  14
 None
 1.21A 5jl7A-3d6jA:
undetectable		 5jl7A-3d6jA:
19.05
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.
3oy2 GLYCOSYLTRANSFERASE
B736L

(Paramecium
bursaria
Chlorella virus
NY2A) 		no annotation 5 ILE A 128
PHE A 129
ILE A  92
ASP A  90
LEU A 116
 None
 1.21A 5jl7A-3oy2A:
undetectable		 5jl7A-3oy2A:
22.98
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.
3t8i PURINE NUCLEOSIDASE,
(IUNH-2)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		5 ILE A 121
ASP A  14
THR A  15
VAL A 217
LEU A 221
 CA  A 400 ( 4.8A)
CA  A 400 (-2.3A)
None
None
None
 1.40A 5jl7A-3t8iA:
undetectable		 5jl7A-3t8iA:
20.58
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.
3vc7 PUTATIVE
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ARG A 122
ILE A  68
ILE A  62
THR A  37
LEU A  85
 None
 1.23A 5jl7A-3vc7A:
undetectable		 5jl7A-3vc7A:
19.92
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.
4ct3 ORF30/ORF32

(Staphylococcus
virus K) 		PF05257
(CHAP) 		5 ILE A 159
ILE A 118
THR A  72
VAL A  70
LEU A  65
 None
CMH  A1166 (-4.7A)
None
None
None
 1.25A 5jl7A-4ct3A:
undetectable		 5jl7A-4ct3A:
12.57
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.
4g79 SPINDLE ASSEMBLY
ABNORMAL PROTEIN 6

(Caenorhabditis
elegans) 		PF16531
(SAS-6_N) 		5 ILE A  55
PHE A  65
ILE A 105
THR A  32
LEU A 109
 None
None
None
PG4  A 205 (-4.6A)
None
 1.03A 5jl7A-4g79A:
undetectable		 5jl7A-4g79A:
15.49
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.
4knh NUP192P

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 ILE A 555
PHE A 556
TRP A 552
VAL A 651
LEU A 620
 None
 1.18A 5jl7A-4knhA:
undetectable		 5jl7A-4knhA:
20.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kq8 CYTOCHROME P450 19A1

(Homo sapiens) 		PF00067
(p450) 		10 ARG A 115
ILE A 133
PHE A 134
TRP A 224
ILE A 305
ASP A 309
THR A 310
VAL A 370
MET A 374
LEU A 477
 HEM  A 601 ( 2.6A)
ASD  A 602 (-4.0A)
None
None
ASD  A 602 ( 4.7A)
ASD  A 602 (-3.8A)
ASD  A 602 (-3.9A)
HEM  A 601 (-4.4A)
ASD  A 602 (-4.3A)
ASD  A 602 (-4.5A)
 0.23A 5jl7A-4kq8A:
64.5		 5jl7A-4kq8A:
92.05
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.
4p69 ISOCITRATE
DEHYDROGENASE
KINASE/PHOSPHATASE

(Escherichia
coli) 		PF06315
(AceK) 		5 ILE A 157
TRP A 166
ILE A 173
ASP A 172
LEU A 234
 None
 1.16A 5jl7A-4p69A:
undetectable		 5jl7A-4p69A:
21.52
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.
4upk PHOSPHONATE
MONOESTER HYDROLASE

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 ILE A  12
ILE A 295
ASP A 292
VAL A  28
LEU A  20
 None
 1.46A 5jl7A-4upkA:
undetectable		 5jl7A-4upkA:
22.11
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.
4zi9 MCG133388, ISOFORM
CRA_T

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		5 PHE A 253
ASP A 267
VAL A 236
MET A 289
LEU A 273
 None
 1.39A 5jl7A-4zi9A:
undetectable		 5jl7A-4zi9A:
19.61
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.
5aqa OFF7_DB04V3

(synthetic
construct) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13354
(Beta-lactamase2) 		5 PHE A 281
ILE A 214
THR A 330
MET A 285
LEU A 323
 None
 1.07A 5jl7A-5aqaA:
undetectable		 5jl7A-5aqaA:
21.77
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 5 ILE Y 265
PHE Y 285
ILE Y 181
VAL Y 194
MET Y 293
 None
 1.26A 5jl7A-5gaiY:
undetectable		 5jl7A-5gaiY:
21.87
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.
5j1b CELL WALL ASSEMBLY
REGULATOR SMI1

(Saccharomyces
cerevisiae) 		PF09346
(SMI1_KNR4) 		5 ILE A 241
PHE A 159
ILE A 277
VAL A 136
LEU A 285
 None
 1.23A 5jl7A-5j1bA:
undetectable		 5jl7A-5j1bA:
20.97
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		5 ILE A 699
PHE A 698
ASP A 615
VAL A 601
MET A 637
 None
 1.29A 5jl7A-5jxkA:
undetectable		 5jl7A-5jxkA:
20.98
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.
5wrk AP-2 COMPLEX SUBUNIT
MU

(Rattus
norvegicus) 		no annotation 5 ILE A 263
PHE A 265
VAL A 401
MET A 202
LEU A 404
 None
 1.20A 5jl7A-5wrkA:
undetectable		 5jl7A-5wrkA:
11.55
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.
5wrl AP-2 COMPLEX SUBUNIT
MU

(Rattus
norvegicus) 		no annotation 5 ILE A 263
PHE A 265
VAL A 401
MET A 202
LEU A 404
 None
 1.30A 5jl7A-5wrlA:
undetectable		 5jl7A-5wrlA:
13.03
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.
5x5h CYSTATHIONINE
BETA-LYASES/CYSTATHI
ONINE
GAMMA-SYNTHASES

(Corynebacterium
glutamicum) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 268
PHE A 271
ILE A 365
THR A 324
LEU A 383
 None
 1.41A 5jl7A-5x5hA:
undetectable		 5jl7A-5x5hA:
22.45
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.
6c1d UNCONVENTIONAL
MYOSIN-IB

(Rattus
norvegicus) 		no annotation 5 ILE P 550
PHE P 554
ILE P 315
VAL P 278
LEU P 352
 None
 1.26A 5jl7A-6c1dP:
undetectable		 5jl7A-6c1dP:
9.98