SIMILAR PATTERNS OF AMINO ACIDS FOR 4EK1_B_CAMB502_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.
1fo0 PROTEIN (BM3.3 T
CELL RECEPTOR
ALPHA-CHAIN)

(Mus musculus) 		PF07686
(V-set) 		5 TYR A  88
THR A  38
LEU A  46
VAL A  44
ASP A  84
 None
 1.43A 4ek1B-1fo0A:
0.0		 4ek1B-1fo0A:
14.47
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.
1k7j PROTEIN YCIO

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC) 		5 THR A 118
THR A  98
VAL A 195
ASP A 186
VAL A 184
 None
SO4  A 207 ( 4.9A)
None
None
None
 1.12A 4ek1B-1k7jA:
undetectable		 4ek1B-1k7jA:
19.81
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.
1v5c CHITOSANASE

(Bacillus sp.
(in: Bacteria)) 		PF01270
(Glyco_hydro_8) 		5 THR A 421
THR A 390
LEU A 325
VAL A 328
VAL A  64
 None
 1.19A 4ek1B-1v5cA:
0.0		 4ek1B-1v5cA:
21.40
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 PHE A 415
LEU A 393
VAL A 389
VAL A 363
VAL A 366
 None
 1.34A 4ek1B-1wytA:
0.0		 4ek1B-1wytA:
22.89
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.
2aaf ARGININE DEIMINASE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		5 PHE A  58
THR A 408
VAL A 362
VAL A  69
VAL A  20
 None
 1.45A 4ek1B-2aafA:
0.0		 4ek1B-2aafA:
22.48
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.
2f43 ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 THR A 176
THR A 235
LEU A 216
VAL A 213
ASP A 270
 MG  A 602 ( 3.3A)
None
None
None
MG  A 602 ( 4.8A)
 1.20A 4ek1B-2f43A:
0.0		 4ek1B-2f43A:
22.75
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.
2htm THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Thermus
thermophilus) 		PF05690
(ThiG) 		5 THR A  41
THR A 148
LEU A 205
VAL A 182
VAL A   6
 None
 1.41A 4ek1B-2htmA:
0.0		 4ek1B-2htmA:
21.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		5 PHE A  87
TYR A  96
THR A 101
LEU A 244
VAL A 295
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
HEM  A 501 (-4.5A)
HEM  A 501 (-4.6A)
 1.00A 4ek1B-2m56A:
68.0		 4ek1B-2m56A:
98.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		9 PHE A  87
TYR A  96
THR A 101
THR A 185
LEU A 244
VAL A 247
VAL A 295
ASP A 297
VAL A 396
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-2.9A)
None
HEM  A 501 (-4.5A)
None
HEM  A 501 (-4.6A)
HEM  A 501 (-2.8A)
None
 0.39A 4ek1B-2m56A:
68.0		 4ek1B-2m56A:
98.02
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.
2wqq ALPHA-2,3-/2,8-SIALY
LTRANSFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		5 PHE A  35
TYR A  34
THR A  61
THR A 166
ASP A 242
 None
 1.42A 4ek1B-2wqqA:
undetectable		 4ek1B-2wqqA:
19.03
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.
2x63 ALPHA-2,3-/2,8-SIALY
LTRANSFERASE

(Campylobacter
jejuni) 		PF06002
(CST-I) 		5 PHE A  35
TYR A  34
THR A  61
THR A 166
ASP A 242
 None
 1.47A 4ek1B-2x63A:
undetectable		 4ek1B-2x63A:
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.
3dqq PUTATIVE TRNA
SYNTHASE

(Salmonella
enterica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 PHE A  11
THR A 368
THR A  15
LEU A 398
VAL A 389
 None
 1.37A 4ek1B-3dqqA:
undetectable		 4ek1B-3dqqA:
24.05
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 PHE A 558
THR A 246
LEU A 263
VAL A 309
VAL A 144
 None
 1.43A 4ek1B-3lppA:
undetectable		 4ek1B-3lppA:
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.
3tos CALS11

(Micromonospora
echinospora) 		PF05711
(TylF) 		5 THR A 181
LEU A 175
VAL A 171
VAL A 161
VAL A 163
 None
 1.49A 4ek1B-3tosA:
undetectable		 4ek1B-3tosA:
23.18
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.
3ubm FORMYL-COA:OXALATE
COA-TRANSFERASE

(Acetobacter
aceti) 		PF02515
(CoA_transf_3) 		5 LEU A 195
VAL A 199
VAL A  39
ASP A  18
VAL A  16
 None
 1.39A 4ek1B-3ubmA:
undetectable		 4ek1B-3ubmA:
21.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		7 TYR A  98
THR A 103
THR A 187
LEU A 252
VAL A 303
ASP A 305
VAL A 404
 None
GOL  A1419 (-3.8A)
None
HEM  A1418 (-4.0A)
GOL  A1419 (-3.9A)
HEM  A1418 (-2.7A)
GOL  A1419 (-3.5A)
 0.50A 4ek1B-4c9mA:
59.1		 4ek1B-4c9mA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 PHE A  87
THR A 101
LEU A 250
VAL A 301
VAL A 402
 None
HEM  A 501 ( 4.8A)
HEM  A 501 (-4.3A)
PEG  A 502 ( 4.5A)
None
 0.87A 4ek1B-4dxyA:
52.3		 4ek1B-4dxyA:
46.48
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.
4euu SERINE/THREONINE-PRO
TEIN KINASE TBK1

(Homo sapiens) 		PF00069
(Pkinase) 		5 THR A 302
LEU A 281
VAL A 280
VAL A 119
VAL A 120
 None
 1.34A 4ek1B-4euuA:
undetectable		 4ek1B-4euuA:
21.23
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.
4f0q RESTRICTION
ENDONUCLEASE

(Mycobacterium
sp. JLS) 		PF04471
(Mrr_cat) 		5 TYR A 293
THR A 437
LEU A 433
VAL A 418
VAL A 386
 None
 1.19A 4ek1B-4f0qA:
undetectable		 4ek1B-4f0qA:
22.43
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.
4fsj CAPSID PROTEIN BETA

(Flock House
virus) 		PF01829
(Peptidase_A6) 		5 TYR A 321
THR A 118
VAL A 289
ASP A  97
VAL A 121
 None
 1.46A 4ek1B-4fsjA:
undetectable		 4ek1B-4fsjA:
21.86
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.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		5 THR A 583
THR A 310
LEU A 290
VAL A 286
VAL A 313
 None
 1.14A 4ek1B-4hhrA:
undetectable		 4ek1B-4hhrA:
20.03
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA 1

(Lactobacillus
brevis) 		PF00005
(ABC_tran) 		5 THR B 198
LEU B  28
VAL B  30
VAL B  87
VAL B 166
 None
 1.13A 4ek1B-4hzuB:
undetectable		 4ek1B-4hzuB:
21.18
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.
4ymw ABC-TYPE POLAR AMINO
ACID TRANSPORT
SYSTEM, ATPASE
COMPONENT

(Caldanaerobacter
subterraneus) 		no annotation 5 THR J 188
LEU J  22
VAL J  24
VAL J  79
VAL J 157
 None
 1.19A 4ek1B-4ymwJ:
undetectable		 4ek1B-4ymwJ:
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		5 THR A  99
VAL A 123
VAL A  84
ASP A  80
VAL A  85
 None
 1.26A 4ek1B-4yyfA:
undetectable		 4ek1B-4yyfA:
22.72
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.
5ah4 DNA POLYMERASE III
SUBUNIT BETA

(Mycolicibacterium
smegmatis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 THR A  88
LEU A  84
VAL A  43
VAL A  67
VAL A  65
 None
 1.30A 4ek1B-5ah4A:
undetectable		 4ek1B-5ah4A:
24.15
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.
5cb0 UNIVERSAL STRESS
PROTEIN E

(Escherichia
coli) 		PF00582
(Usp) 		5 TYR A 304
THR A 306
THR A 270
VAL A 142
VAL A 298
 None
 1.24A 4ek1B-5cb0A:
undetectable		 4ek1B-5cb0A:
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		5 PHE A 747
THR A 686
LEU A1066
VAL A1062
VAL A1085
 None
 1.31A 4ek1B-5cjuA:
undetectable		 4ek1B-5cjuA:
17.58
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.
5d8m METAGENOMIC CARBOXYL
ESTERASE MGS0156

(uncultured
organism) 		no annotation 5 THR A 252
THR A 230
LEU A 242
VAL A 198
VAL A 166
 None
 1.20A 4ek1B-5d8mA:
undetectable		 4ek1B-5d8mA:
23.64
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 PHE A  98
TYR A  94
THR A 231
VAL A 177
VAL A 166
 None
 1.48A 4ek1B-5dmhA:
undetectable		 4ek1B-5dmhA:
23.81
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.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 PHE A 655
TYR A 656
VAL A 276
VAL A 175
VAL A 218
 None
 1.37A 4ek1B-5f7sA:
undetectable		 4ek1B-5f7sA:
22.40
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.
5gle ISCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 5 THR A  64
LEU A  38
VAL A  35
VAL A 200
VAL A  63
 None
 1.33A 4ek1B-5gleA:
undetectable		 4ek1B-5gleA:
20.29
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN
MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus;
Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 THR B 370
LEU A 595
VAL B 551
ASP B 546
VAL B 544
 None
 1.36A 4ek1B-5mkkB:
undetectable		 4ek1B-5mkkB:
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.
6d9y SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Paraburkholderia
phymatum) 		no annotation 5 THR A  78
LEU A  88
VAL A  12
VAL A  63
VAL A  61
 None
 1.36A 4ek1B-6d9yA:
undetectable		 4ek1B-6d9yA:
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 PHE A  34
TYR A  30
THR A 213
LEU A 274
VAL A 325
 None
 1.38A 4ek1B-6eu6A:
undetectable		 4ek1B-6eu6A:
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.
6fi2 VEXL

(Achromobacter
denitrificans) 		no annotation 5 THR A 188
LEU A 166
VAL A 150
VAL A 183
VAL A 159
 None
 1.43A 4ek1B-6fi2A:
undetectable		 4ek1B-6fi2A:
undetectable