SIMILAR PATTERNS OF AMINO ACIDS FOR 3EQM_A_ASDA601_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.
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
 1.27A 3eqmA-1i31A:
0.0		 3eqmA-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
 1.22A 3eqmA-1wyeA:
0.0		 3eqmA-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.
1wz1 IG HEAVY CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 PHE H  27
ILE H 101
ASP H  35
VAL H  81
LEU H   4
 DNS  H 200 (-3.7A)
None
None
None
None
 1.49A 3eqmA-1wz1H:
0.0		 3eqmA-1wz1H:
12.80
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.
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
 1.10A 3eqmA-1xp3A:
0.0		 3eqmA-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
 1.28A 3eqmA-2b8eA:
0.0		 3eqmA-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
 1.37A 3eqmA-2bp5M:
undetectable		 3eqmA-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
 1.25A 3eqmA-2f28A:
0.0		 3eqmA-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.
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
 1.45A 3eqmA-2ihtA:
0.0		 3eqmA-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.
2j04 HYPOTHETICAL PROTEIN
YPL007C

(Saccharomyces
cerevisiae) 		PF12660
(zf-TFIIIC) 		5 ILE A 451
PHE A 454
ILE A 484
VAL A 552
LEU A 570
 None
 1.34A 3eqmA-2j04A:
0.0		 3eqmA-2j04A:
23.46
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
 1.32A 3eqmA-2ko1A:
undetectable		 3eqmA-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 3eqmA-2qv3A:
undetectable		 3eqmA-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
 1.33A 3eqmA-2varA:
undetectable		 3eqmA-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
 1.28A 3eqmA-2voyI:
undetectable		 3eqmA-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
 1.14A 3eqmA-3aalA:
undetectable		 3eqmA-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
 1.22A 3eqmA-3d6jA:
undetectable		 3eqmA-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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		5 ILE A 571
ASP A 424
THR A 428
VAL A 635
LEU A 626
 None
 1.45A 3eqmA-3j09A:
undetectable		 3eqmA-3j09A:
21.12
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.
3k1j ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF05362
(Lon_C)
PF13654
(AAA_32) 		5 ARG A 628
ILE A 627
ILE A 495
VAL A 609
LEU A 614
 None
 1.49A 3eqmA-3k1jA:
undetectable		 3eqmA-3k1jA:
22.85
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
 1.17A 3eqmA-3oy2A:
undetectable		 3eqmA-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
 1.36A 3eqmA-3t8iA:
undetectable		 3eqmA-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
 1.26A 3eqmA-3vc7A:
undetectable		 3eqmA-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
 1.26A 3eqmA-4ct3A:
undetectable		 3eqmA-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
 1.02A 3eqmA-4g79A:
undetectable		 3eqmA-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
 1.17A 3eqmA-4knhA:
undetectable		 3eqmA-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 3eqmA-4kq8A:
64.6		 3eqmA-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.
4n91 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Anaerococcus
prevotii) 		PF03480
(DctP) 		5 ILE A  33
TRP A 250
ILE A  91
VAL A 261
LEU A 254
 None
 1.28A 3eqmA-4n91A:
undetectable		 3eqmA-4n91A:
19.44
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.
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
 1.21A 3eqmA-4p69A:
undetectable		 3eqmA-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 3eqmA-4upkA:
undetectable		 3eqmA-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
 1.41A 3eqmA-4zi9A:
undetectable		 3eqmA-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
 1.09A 3eqmA-5aqaA:
undetectable		 3eqmA-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.
5hb4 NUP192,NUCLEOPORIN
NUP192

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 ILE B 555
PHE B 556
TRP B 552
VAL B 651
LEU B 620
 None
 1.12A 3eqmA-5hb4B:
undetectable		 3eqmA-5hb4B:
14.69
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
 1.20A 3eqmA-5j1bA:
undetectable		 3eqmA-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
 1.31A 3eqmA-5jxkA:
undetectable		 3eqmA-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.
5u7x NOD FACTOR BINDING
LECTIN-NUCLEOTIDE
PHOSPHOHYDROLASE

(Vigna
unguiculata) 		PF01150
(GDA1_CD39) 		5 ARG F 215
PHE F 219
ILE F 237
ASP F 236
LEU F 230
 None
 1.49A 3eqmA-5u7xF:
undetectable		 3eqmA-5u7xF:
22.87
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.
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
 1.26A 3eqmA-5wrkA:
undetectable		 3eqmA-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
 1.34A 3eqmA-5wrlA:
undetectable		 3eqmA-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
 1.42A 3eqmA-5x5hA:
undetectable		 3eqmA-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
 1.25A 3eqmA-6c1dP:
undetectable		 3eqmA-6c1dP:
9.98