SIMILAR PATTERNS OF AMINO ACIDS FOR 3TX2_A_BEZA251

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.
1ewr DNA MISMATCH REPAIR
PROTEIN MUTS

(Thermus
aquaticus) 		PF00488
(MutS_V)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 ARG A 219
ALA A 138
TRP A 143
ALA A 181
 None
 0.99A 3tx2A-1ewrA:
1.7		 3tx2A-1ewrA:
18.80
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.
1mim CHIMERIC SDZ CHI621

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 LYS L  44
ARG L  45
ALA L  54
TRP L  46
 None
 1.40A 3tx2A-1mimL:
undetectable		 3tx2A-1mimL:
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.
1qh1 PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		4 ARG B 377
ALA B 320
TRP B 481
ALA B 313
 None
 1.42A 3tx2A-1qh1B:
0.0		 3tx2A-1qh1B:
20.43
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.
1rhc F420-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Methanoculleus
thermophilus) 		PF00296
(Bac_luciferase) 		4 ARG A 244
ALA A 247
TRP A 246
ALA A 269
 None
None
CL  A 392 (-4.3A)
None
 1.20A 3tx2A-1rhcA:
undetectable		 3tx2A-1rhcA:
21.83
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 ALA A 292
TRP A 439
MET A 423
ALA A 397
 None
 1.20A 3tx2A-1rw9A:
undetectable		 3tx2A-1rw9A:
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.
1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		4 ALA A  48
TRP A 264
TRP A 267
ALA A 187
 None
 1.45A 3tx2A-1u2eA:
1.3		 3tx2A-1u2eA:
26.30
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.
1yed IGG1 FAB FRAGMENT
(D.2.4)

(Mus musculus) 		no annotation 4 LYS H  62
ALA H  49
MET H  80
ALA H  67
 None
 1.44A 3tx2A-1yedH:
undetectable		 3tx2A-1yedH:
18.11
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.
1zmb ACETYLXYLAN ESTERASE
RELATED ENZYME

(Clostridium
acetobutylicum) 		PF03629
(SASA) 		4 ARG A  16
ALA A  14
MET A   7
ALA A  79
 None
 1.45A 3tx2A-1zmbA:
1.3		 3tx2A-1zmbA:
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.
2bmo OXYGENASE-ALPHA NBDO

(Comamonas sp.
JS765) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 ARG A 216
ALA A 212
TRP A 356
ALA A 226
 None
 1.49A 3tx2A-2bmoA:
undetectable		 3tx2A-2bmoA:
21.46
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.
2cxn GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mus musculus) 		PF00342
(PGI) 		4 ARG A 104
ALA A 300
TRP A 302
ALA A 492
 None
 1.09A 3tx2A-2cxnA:
undetectable		 3tx2A-2cxnA:
18.18
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.
2gs9 HYPOTHETICAL PROTEIN
TT1324

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		4 ARG A 145
ALA A 141
TRP A 155
ALA A 136
 None
 1.46A 3tx2A-2gs9A:
undetectable		 3tx2A-2gs9A:
25.56
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.
2hbo HYPOTHETICAL PROTEIN
(NP_422103.1)

(Caulobacter
vibrioides) 		PF03061
(4HBT) 		4 ARG A 129
ALA A 126
TRP A 103
ALA A  98
 None
 1.24A 3tx2A-2hboA:
undetectable		 3tx2A-2hboA:
20.40
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.
2is5 HYPOTHETICAL PROTEIN

(Neisseria
meningitidis) 		PF05838
(Glyco_hydro_108)
PF09374
(PG_binding_3) 		4 ALA A  84
TRP A 150
MET A  96
ALA A  93
 None
 1.40A 3tx2A-2is5A:
undetectable		 3tx2A-2is5A:
21.03
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 ARG A 900
ALA A 902
TRP A 871
ALA A 929
 None
 0.85A 3tx2A-2jgdA:
2.8		 3tx2A-2jgdA:
14.36
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.
2lts PROTEIN RDE-4

(Caenorhabditis
elegans) 		PF00035
(dsrm) 		4 LYS A 173
ALA A 225
TRP A 170
TRP A 226
 None
 1.26A 3tx2A-2ltsA:
undetectable		 3tx2A-2ltsA:
19.70
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.
2pg0 ACYL-COA
DEHYDROGENASE

(Geobacillus
kaustophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A 325
TRP A 327
TRP A 328
ALA A 253
 None
 1.38A 3tx2A-2pg0A:
undetectable		 3tx2A-2pg0A:
21.66
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.
2ys6 PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE

(Geobacillus
kaustophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		4 LYS A  18
ALA A  14
TRP A  17
ALA A 293
 None
 1.15A 3tx2A-2ys6A:
undetectable		 3tx2A-2ys6A:
22.17
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.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 ARG A  54
ALA A  50
MET A 349
ALA A 353
 None
 0.87A 3tx2A-3actA:
undetectable		 3tx2A-3actA:
15.33
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.
3b4y PROBABLE
F420-DEPENDENT
GLUCOSE-6-PHOSPHATE
DEHYDROGENASE FGD1

(Mycobacterium
tuberculosis) 		PF00296
(Bac_luciferase) 		4 ARG A  45
ALA A 250
TRP A 249
ALA A 272
 None
 1.28A 3tx2A-3b4yA:
undetectable		 3tx2A-3b4yA:
21.67
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.
3cym UNCHARACTERIZED
PROTEIN BAD_0989

(Bifidobacterium
adolescentis) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		4 ALA A 194
TRP A 417
TRP A 193
ALA A 122
 None
 1.26A 3tx2A-3cymA:
undetectable		 3tx2A-3cymA:
22.83
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.
3pi7 NADH OXIDOREDUCTASE

(Mesorhizobium
loti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A 123
TRP A 116
MET A  10
ALA A 120
 None
 1.43A 3tx2A-3pi7A:
3.3		 3tx2A-3pi7A:
22.71
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.
3qde CELLOBIOSE
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 ARG A  54
ALA A  50
MET A 342
ALA A 346
 None
 0.88A 3tx2A-3qdeA:
undetectable		 3tx2A-3qdeA:
16.49
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.
3s4d LACTOSE
PHOSPHORYLASE

(Cellulomonas
uda) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 ARG A  54
ALA A  50
MET A 349
ALA A 353
 None
 1.14A 3tx2A-3s4dA:
undetectable		 3tx2A-3s4dA:
15.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tx2 PROBABLE
6-PHOSPHOGLUCONOLACT
ONASE

(Mycobacteroides
abscessus) 		PF01182
(Glucosamine_iso) 		4 ALA A  88
TRP A  86
TRP A  89
MET A 103
 None
None
BEZ  A 251 ( 4.2A)
BEZ  A 251 ( 4.0A)
 1.39A 3tx2A-3tx2A:
49.0		 3tx2A-3tx2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tx2 PROBABLE
6-PHOSPHOGLUCONOLACT
ONASE

(Mycobacteroides
abscessus) 		PF01182
(Glucosamine_iso) 		6 ARG A  83
ALA A  85
TRP A  86
TRP A  89
MET A 103
ALA A 105
 BEZ  A 251 (-4.0A)
BEZ  A 251 ( 3.7A)
None
BEZ  A 251 ( 4.2A)
BEZ  A 251 ( 4.0A)
BEZ  A 251 (-3.5A)
 0.00A 3tx2A-3tx2A:
49.0		 3tx2A-3tx2A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tx2 PROBABLE
6-PHOSPHOGLUCONOLACT
ONASE

(Mycobacteroides
abscessus) 		PF01182
(Glucosamine_iso) 		5 LYS A  78
ARG A  83
ALA A  85
TRP A  86
TRP A  89
 BEZ  A 251 (-3.7A)
BEZ  A 251 (-4.0A)
BEZ  A 251 ( 3.7A)
None
BEZ  A 251 ( 4.2A)
 0.74A 3tx2A-3tx2A:
49.0		 3tx2A-3tx2A:
100.00
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 ALA A 520
TRP A 524
MET A 551
ALA A 555
 None
 1.26A 3tx2A-4c30A:
undetectable		 3tx2A-4c30A:
18.70
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.
4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE

(Azoarcus sp.
BH72) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 LYS A   4
ARG A   5
ALA A   7
ALA A  36
 None
 1.09A 3tx2A-4d5gA:
2.8		 3tx2A-4d5gA:
20.14
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.
4is2 BILE ACID 3-ALPHA
HYDROXYSTEROID
DEHYDROGENASE

([Clostridium]
scindens) 		PF00106
(adh_short) 		4 LYS A 132
ALA A 127
TRP A 125
MET A  73
 None
 1.26A 3tx2A-4is2A:
3.7		 3tx2A-4is2A:
23.39
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.
4x8d SULFOXIDE SYNTHASE
EGTB

(Mycolicibacterium
thermoresistibile) 		PF03781
(FGE-sulfatase)
PF12867
(DinB_2) 		4 ALA A 286
TRP A 233
TRP A 288
ALA A 291
 None
None
None
GOL  A 504 ( 4.1A)
 1.44A 3tx2A-4x8dA:
undetectable		 3tx2A-4x8dA:
20.54
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.
4yyc PUTATIVE
TRIMETHYLAMINE
METHYLTRANSFERASE

(Sinorhizobium
meliloti) 		PF06253
(MTTB) 		4 ARG A 347
ALA A 343
MET A 379
ALA A 383
 None
 1.36A 3tx2A-4yycA:
undetectable		 3tx2A-4yycA:
21.47
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.
4zwj CHIMERA PROTEIN OF
HUMAN RHODOPSIN,
MOUSE S-ARRESTIN,
AND T4 ENDOLYSIN

(Homo sapiens;
Mus musculus;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00339
(Arrestin_N)
PF00959
(Phage_lysozyme)
PF02752
(Arrestin_C)
PF10413
(Rhodopsin_N) 		4 ALA A 124
TRP A 265
MET A  86
ALA A  82
 None
 1.32A 3tx2A-4zwjA:
undetectable		 3tx2A-4zwjA:
15.08
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.
5dkx ALPHA
GLUCOSIDASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF17137
(DUF5110) 		4 ARG A 414
ALA A 692
TRP A 415
ALA A 696
 None
 1.45A 3tx2A-5dkxA:
undetectable		 3tx2A-5dkxA:
13.94
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.
5xyi 40S RIBOSOMAL
PROTEIN SA
40S RIBOSOMAL
PROTEIN S17-B,
PUTATIVE

(Trichomonas
vaginalis;
Trichomonas
vaginalis) 		PF00318
(Ribosomal_S2)
PF00833
(Ribosomal_S17e) 		4 ARG R  81
ALA A 212
TRP R  84
ALA A 209
 None
 1.19A 3tx2A-5xyiR:
undetectable		 3tx2A-5xyiR:
20.40
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.
5yix RNA POLYMERASE SIGMA
FACTOR RPOD

(Caulobacter
vibrioides) 		no annotation 4 LYS A 458
ALA A 193
TRP A 474
ALA A 187
 None
 1.25A 3tx2A-5yixA:
undetectable		 3tx2A-5yixA:
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.
6cbo C-6'
AMINOTRANSFERASE

(Micromonospora
echinospora) 		no annotation 4 ALA A 398
TRP A 188
MET A 394
ALA A 390
 None
 1.08A 3tx2A-6cboA:
3.0		 3tx2A-6cboA:
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 4 ARG B 275
ALA B 271
MET B 299
ALA B 806
 None
 1.46A 3tx2A-6f0kB:
undetectable		 3tx2A-6f0kB:
undetectable