SIMILAR PATTERNS OF AMINO ACIDS FOR 1T86_B_CAMB2422

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
 1.42A 1t86B-1fo0A:
undetectable		 1t86B-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.
1g7c ELONGATION FACTOR
1-ALPHA

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 THR A  82
THR A  24
LEU A 227
VAL A  10
VAL A  12
 None
 1.44A 1t86B-1g7cA:
0.0		 1t86B-1g7cA:
20.36
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.
1p1m HYPOTHETICAL PROTEIN
TM0936

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 THR A 312
LEU A 308
VAL A 264
ASP A 320
VAL A 247
 None
 1.38A 1t86B-1p1mA:
undetectable		 1t86B-1p1mA:
21.30
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
 1.23A 1t86B-1v5cA:
0.0		 1t86B-1v5cA:
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.
1vbm TYROSYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00579
(tRNA-synt_1b) 		5 PHE A 236
THR A 263
LEU A 303
VAL A 307
VAL A 244
 None
 1.32A 1t86B-1vbmA:
0.0		 1t86B-1vbmA:
22.27
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.
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
 1.31A 1t86B-1wytA:
0.0		 1t86B-1wytA:
22.46
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.
2aaf ARGININE DEIMINASE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		5 PHE A  58
THR A 408
VAL A 362
VAL A  69
VAL A  20
 None
 1.49A 1t86B-2aafA:
0.0		 1t86B-2aafA:
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.
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)
 1.22A 1t86B-2f43A:
undetectable		 1t86B-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
 1.39A 1t86B-2htmA:
0.0		 1t86B-2htmA:
21.05
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)
 0.98A 1t86B-2m56A:
68.5		 1t86B-2m56A:
99.26
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
 0.30A 1t86B-2m56A:
68.5		 1t86B-2m56A:
99.26
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.
2ol3 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
 1.46A 1t86B-2ol3A:
undetectable		 1t86B-2ol3A:
14.66
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.
2quy PENICILLIN ACYLASE

(Lysinibacillus
sphaericus) 		PF02275
(CBAH) 		5 THR A 279
THR A 174
LEU A 256
VAL A 232
ASP A  20
 None
 1.50A 1t86B-2quyA:
undetectable		 1t86B-2quyA:
22.03
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.
2v40 ADENYLOSUCCINATE
SYNTHETASE ISOZYME 2

(Homo sapiens) 		PF00709
(Adenylsucc_synt) 		5 THR A 265
THR A 311
LEU A 258
VAL A 398
VAL A 400
 None
 1.33A 1t86B-2v40A:
undetectable		 1t86B-2v40A:
22.61
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 THR A1245
LEU A1140
VAL A1146
VAL A1163
VAL A1250
 None
 1.34A 1t86B-2zxqA:
undetectable		 1t86B-2zxqA:
13.82
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.
3epj TRNA
ISOPENTENYLTRANSFERA
SE

(Saccharomyces
cerevisiae) 		PF01715
(IPPT) 		5 TYR A 115
THR A 112
VAL A  50
VAL A 257
VAL A 254
 A  E  36 ( 4.9A)
A  E  37 ( 2.5A)
None
A  E  37 ( 4.3A)
None
 1.49A 1t86B-3epjA:
undetectable		 1t86B-3epjA:
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.
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
 1.46A 1t86B-3lppA:
undetectable		 1t86B-3lppA:
18.99
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.
3pop GILR OXIDASE

(Streptomyces
griseoflavus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 THR A 489
LEU A  80
VAL A  58
VAL A 167
VAL A 161
 None
 1.48A 1t86B-3popA:
undetectable		 1t86B-3popA:
20.78
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.
3qsq CAPSID POLYPROTEIN

(Mamastrovirus 1) 		PF12226
(Astro_capsid_p) 		5 PHE A 638
THR A 591
LEU A 626
VAL A 484
VAL A 438
 None
 1.40A 1t86B-3qsqA:
undetectable		 1t86B-3qsqA:
18.46
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.
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 1t86B-3tosA:
undetectable		 1t86B-3tosA:
22.57
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.
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
 1.33A 1t86B-3ubmA:
undetectable		 1t86B-3ubmA:
22.09
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)
 0.56A 1t86B-4c9mA:
58.9		 1t86B-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
 0.93A 1t86B-4dxyA:
52.0		 1t86B-4dxyA:
46.24
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
 1.20A 1t86B-4hhrA:
undetectable		 1t86B-4hhrA:
19.85
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.
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
 1.13A 1t86B-4ymwJ:
undetectable		 1t86B-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.
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
 1.29A 1t86B-5ah4A:
undetectable		 1t86B-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.
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
 1.41A 1t86B-5dmhA:
undetectable		 1t86B-5dmhA:
22.27
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.
5exc GREEN FLUORESCENT
PROTEIN

(Dendronephthya
sp. SSAL-2002) 		PF01353
(GFP) 		5 PHE I  79
TYR I 177
THR I 175
THR I  69
VAL I 191
 None
 1.46A 1t86B-5excI:
undetectable		 1t86B-5excI:
17.84
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
 1.40A 1t86B-5f7sA:
undetectable		 1t86B-5f7sA:
21.64
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.
5gle ISCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 5 THR A  64
LEU A  38
VAL A  35
VAL A 200
VAL A  63
 None
 1.34A 1t86B-5gleA:
undetectable		 1t86B-5gleA:
20.15
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.
5msw THIOESTER REDUCTASE
DOMAIN-CONTAINING
PROTEIN

(Segniliparus
rugosus) 		PF00501
(AMP-binding)
PF00550
(PP-binding) 		5 THR A 403
LEU A  19
VAL A  23
ASP A 305
VAL A  37
 None
 1.49A 1t86B-5mswA:
undetectable		 1t86B-5mswA:
16.34
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.
6d35 SMOOTHENED,SOLUBLE
CYTOCHROME
B562,SMOOTHENED

(Escherichia
coli;
Xenopus laevis) 		no annotation 5 PHE A 428
THR A 501
THR A 309
VAL A 384
VAL A 306
 None
 1.46A 1t86B-6d35A:
undetectable		 1t86B-6d35A:
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.
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
 1.34A 1t86B-6d9yA:
undetectable		 1t86B-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
 1.29A 1t86B-6eu6A:
undetectable		 1t86B-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
 1.38A 1t86B-6fi2A:
undetectable		 1t86B-6fi2A:
undetectable