SIMILAR PATTERNS OF AMINO ACIDS FOR 3Q07_B_WPPB400_2

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.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 TYR A 685
PRO A 648
THR A 693
THR A 711
 None
 1.47A 3q07B-1bf2A:
undetectable		 3q07B-1bf2A:
16.71
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.
1buy PROTEIN
(ERYTHROPOIETIN)

(Homo sapiens) 		PF00758
(EPO_TPO) 		4 TYR A 145
PRO A  42
THR A  40
THR A  26
 None
 1.38A 3q07B-1buyA:
undetectable		 3q07B-1buyA:
22.14
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.
1cg2 CARBOXYPEPTIDASE G2

(Pseudomonas sp.
RS-16) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 TYR A 391
PRO A 137
THR A 115
THR A 202
 None
 1.37A 3q07B-1cg2A:
undetectable		 3q07B-1cg2A:
23.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hzo BETA-LACTAMASE

(Proteus
vulgaris) 		PF13354
(Beta-lactamase2) 		4 TYR A 105
PRO A 167
THR A 171
THR A 235
 MES  A1000 (-3.9A)
None
None
MES  A1000 (-3.7A)
 0.33A 3q07B-1hzoA:
46.5		 3q07B-1hzoA:
65.54
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.
1jft PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		4 CYH A 245
TYR A  73
PRO A 187
THR A 289
 None
HPA  A 599 (-3.2A)
None
None
 1.20A 3q07B-1jftA:
undetectable		 3q07B-1jftA:
20.96
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.
1r4x COATOMER GAMMA
SUBUNIT

(Homo sapiens) 		PF08752
(COP-gamma_platf)
PF16381
(Coatomer_g_Cpla) 		4 CYH A 726
PRO A 683
THR A 723
THR A 678
 None
 1.50A 3q07B-1r4xA:
undetectable		 3q07B-1r4xA:
24.44
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.
1x4g NUCLEOLYSIN TIAR

(Homo sapiens) 		PF00076
(RRM_1) 		4 CYH A  93
TYR A  63
THR A  84
THR A  27
 None
 1.39A 3q07B-1x4gA:
undetectable		 3q07B-1x4gA:
17.56
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.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		4 TYR A 149
PRO A  64
THR A 187
THR A  17
 None
 1.45A 3q07B-2a0uA:
undetectable		 3q07B-2a0uA:
22.88
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.
2fez PROBABLE REGULATORY
PROTEIN EMBR

(Mycobacterium
tuberculosis) 		PF00486
(Trans_reg_C)
PF00498
(FHA)
PF03704
(BTAD) 		4 TYR A 203
PRO A 206
THR A 246
THR A 233
 None
 1.04A 3q07B-2fezA:
undetectable		 3q07B-2fezA:
23.33
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.
2ghf ZINC FINGERS AND
HOMEOBOXES PROTEIN 1

(Homo sapiens) 		no annotation 4 CYH A  72
PRO A  94
THR A  86
THR A  76
 ZN  A 205 (-1.7A)
None
None
None
 1.25A 3q07B-2ghfA:
undetectable		 3q07B-2ghfA:
12.93
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.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 CYH A 435
TYR A 468
PRO A 471
THR A 473
 None
 1.34A 3q07B-2ji9A:
undetectable		 3q07B-2ji9A:
18.30
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.
2nbi HEP200 PROTEIN

(Cylindrotheca
fusiformis) 		no annotation 4 TYR A 117
PRO A 169
THR A 174
THR A 151
 None
 1.44A 3q07B-2nbiA:
undetectable		 3q07B-2nbiA:
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.
2p50 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		4 CYH A  63
PRO A  97
THR A  79
THR A 312
 None
 1.39A 3q07B-2p50A:
undetectable		 3q07B-2p50A:
21.90
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.
2qdx FERREDOXIN REDUCTASE

(Pseudomonas
aeruginosa) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 TYR A  53
PRO A 121
THR A  34
THR A  24
 FAD  A 400 (-3.9A)
None
None
None
 0.96A 3q07B-2qdxA:
undetectable		 3q07B-2qdxA:
19.43
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.
2uuu ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE

(Dictyostelium
discoideum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 CYH A 581
PRO A 577
THR A 274
THR A 189
 None
 1.45A 3q07B-2uuuA:
undetectable		 3q07B-2uuuA:
17.94
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.
2v2t TRANSCRIPTION FACTOR
RELB

(Mus musculus) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 TYR A 104
PRO A 264
THR A 159
THR A 108
 None
 1.40A 3q07B-2v2tA:
undetectable		 3q07B-2v2tA:
21.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		5 CYH A  69
TYR A 105
PRO A 167
THR A 171
THR A 235
 None
 0.62A 3q07B-2wyxA:
46.0		 3q07B-2wyxA:
83.59
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.
2x7j 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE
-1-CARBOXYLATE
SYNTHASE

(Bacillus
subtilis) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		4 TYR A   9
PRO A  35
THR A  77
THR A 133
 None
None
EDO  A 603 (-3.1A)
None
 1.48A 3q07B-2x7jA:
undetectable		 3q07B-2x7jA:
18.40
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.
3a1j CELL CYCLE
CHECKPOINT PROTEIN
RAD1

(Homo sapiens) 		PF02144
(Rad1) 		4 CYH C 215
TYR C 203
PRO C 186
THR C 218
 None
 1.31A 3q07B-3a1jC:
undetectable		 3q07B-3a1jC:
20.85
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.
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium) 		PF04616
(Glyco_hydro_43)
PF07081
(DUF1349) 		4 CYH A 413
TYR A 501
PRO A 287
THR A 439
 None
 1.47A 3q07B-3c2uA:
undetectable		 3q07B-3c2uA:
19.63
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.
3egj N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		4 CYH A  63
PRO A  94
THR A  76
THR A 309
 None
 1.25A 3q07B-3egjA:
undetectable		 3q07B-3egjA:
22.42
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.
3fn1 NEDD8-CONJUGATING
ENZYME UBE2F

(Homo sapiens) 		PF00179
(UQ_con) 		4 CYH B 100
TYR B 179
THR B  68
THR B 110
 None
 1.47A 3q07B-3fn1B:
undetectable		 3q07B-3fn1B:
20.69
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.
3ftj MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Aggregatibacter
actinomycetemcomitans) 		PF12704
(MacB_PCD) 		4 TYR A 380
PRO A 464
THR A 401
THR A 482
 None
 1.42A 3q07B-3ftjA:
undetectable		 3q07B-3ftjA:
21.38
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.
3gnr OS03G0212800 PROTEIN

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		4 TYR A 321
PRO A 371
THR A 425
THR A 393
 TYR  A 321 (-1.3A)
PRO  A 371 ( 1.1A)
THR  A 425 ( 0.8A)
THR  A 393 ( 0.8A)
 1.34A 3q07B-3gnrA:
undetectable		 3q07B-3gnrA:
22.06
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.
3jzd IRON-CONTAINING
ALCOHOL
DEHYDROGENASE

(Cupriavidus
pinatubonensis) 		PF00465
(Fe-ADH) 		4 TYR A 224
PRO A 156
THR A 120
THR A 231
 None
None
NAD  A 400 (-3.8A)
None
 1.34A 3q07B-3jzdA:
undetectable		 3q07B-3jzdA:
21.24
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.
3ph9 ANTERIOR GRADIENT
PROTEIN 3 HOMOLOG

(Homo sapiens) 		PF13899
(Thioredoxin_7) 		4 TYR A  54
PRO A 124
THR A 127
THR A  47
 None
 1.27A 3q07B-3ph9A:
undetectable		 3q07B-3ph9A:
20.07
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.
3ryt PLEXIN-A1

(Mus musculus) 		PF08337
(Plexin_cytopl) 		4 CYH A1464
TYR A1543
PRO A1318
THR A1309
 None
 1.46A 3q07B-3rytA:
undetectable		 3q07B-3rytA:
17.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w4q BETA-LACTAMASE

(Burkholderia
multivorans) 		PF13354
(Beta-lactamase2) 		4 CYH A  69
TYR A 105
THR A 171
THR A 235
 None
 0.40A 3q07B-3w4qA:
44.2		 3q07B-3w4qA:
57.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zny CTX-M-12A ENZYME

(Klebsiella
pneumoniae) 		PF13354
(Beta-lactamase2) 		5 CYH A  69
TYR A 105
PRO A 167
THR A 171
THR A 235
 None
 0.38A 3q07B-3znyA:
47.8		 3q07B-3znyA:
81.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c75 BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		4 CYH A  69
TYR A 105
PRO A 167
THR A 235
 None
None
None
SO4  A 291 (-3.8A)
 0.48A 3q07B-4c75A:
42.7		 3q07B-4c75A:
56.65
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.
4jip GTN REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		4 TYR A 363
PRO A 335
THR A  47
THR A  53
 None
 1.26A 3q07B-4jipA:
undetectable		 3q07B-4jipA:
22.37
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.
4n9g ANTIBODY 17HD9,
HEAVY CHAIN
EPITOPE SCAFFOLD
RSV_1ISEA_FFL_001_C

(Macaca mulatta;
synthetic
construct) 		PF01765
(RRF)
PF07654
(C1-set)
PF07686
(V-set) 		4 TYR A  59
PRO C  75
THR C  77
THR A  35
 None
 1.50A 3q07B-4n9gA:
undetectable		 3q07B-4n9gA:
25.18
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.
4wa8 FLAP ENDONUCLEASE 1

(Methanopyrus
kandleri) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 TYR A  34
PRO A  46
THR A  55
THR A 186
 None
 1.30A 3q07B-4wa8A:
undetectable		 3q07B-4wa8A:
24.31
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.
5dc0 FIBRONECTIN

(Homo sapiens) 		PF00041
(fn3) 		4 TYR A  83
PRO A  25
THR A   6
THR A  35
 None
 1.42A 3q07B-5dc0A:
undetectable		 3q07B-5dc0A:
16.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e2e BETA-LACTAMASE

(Yersinia
enterocolitica) 		PF13354
(Beta-lactamase2) 		5 CYH A  46
TYR A  82
PRO A 144
THR A 148
THR A 212
 None
 0.45A 3q07B-5e2eA:
44.5		 3q07B-5e2eA:
58.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eoe BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		4 TYR A  97
PRO A 160
THR A 164
THR A 228
 CIT  A 303 (-4.1A)
None
None
CIT  A 303 (-3.6A)
 0.35A 3q07B-5eoeA:
40.7		 3q07B-5eoeA:
41.42
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.
5exr DNA POLYMERASE ALPHA
SUBUNIT B

(Homo sapiens) 		PF04042
(DNA_pol_E_B)
PF08418
(Pol_alpha_B_N) 		4 CYH D 346
PRO D 424
THR D 472
THR D 563
 None
 1.50A 3q07B-5exrD:
undetectable		 3q07B-5exrD:
18.64
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.
5ggs PROGRAMMED CELL
DEATH PROTEIN 1

(Homo sapiens) 		PF07686
(V-set) 		4 CYH Y 123
PRO Y  34
THR Y  36
THR Y  76
 None
 1.46A 3q07B-5ggsY:
undetectable		 3q07B-5ggsY:
19.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5gl9 BETA-LACTAMASE

(Burkholderia
thailandensis) 		PF13354
(Beta-lactamase2) 		4 CYH A  69
TYR A 105
THR A 171
THR A 235
 None
 0.72A 3q07B-5gl9A:
44.8		 3q07B-5gl9A:
57.09
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.
5i61 POTENTIAL
RNA-DEPENDENT RNA
POLYMERASE

(Human
picobirnavirus) 		no annotation 4 CYH B 356
TYR B 365
PRO B 352
THR B 260
 None
 1.26A 3q07B-5i61B:
undetectable		 3q07B-5i61B:
20.55
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		4 CYH A 209
TYR A 258
THR A 247
THR A 238
 ZN  A 505 (-2.4A)
6TM  A 502 ( 4.2A)
None
None
 1.25A 3q07B-5kjmA:
undetectable		 3q07B-5kjmA:
20.09
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.
5lkq DNA REPAIR PROTEIN
RADA

(Streptococcus
pneumoniae) 		PF13541
(ChlI) 		4 CYH A 388
PRO A 385
THR A 418
THR A 296
 None
 1.08A 3q07B-5lkqA:
undetectable		 3q07B-5lkqA:
22.35
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.
5n81 TYROCIDINE SYNTHASE
1

(Brevibacillus
parabrevis) 		no annotation 4 TYR A 317
PRO A 287
THR A 291
THR A 276
 None
None
None
8Q2  A 501 ( 4.9A)
 1.41A 3q07B-5n81A:
undetectable		 3q07B-5n81A:
14.02
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.
5wt4 CYSTEINE DESULFURASE
ISCS

(Helicobacter
pylori) 		no annotation 4 TYR A 263
PRO A 296
THR A 298
THR A 362
 None
 1.47A 3q07B-5wt4A:
undetectable		 3q07B-5wt4A:
16.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6bu3 BETA-LACTAMASE

(Escherichia
coli) 		no annotation 5 CYH A  69
TYR A 105
PRO A 167
THR A 171
THR A 235
 None
3GK  A 302 ( 3.5A)
3GK  A 301 (-4.1A)
3GK  A 301 (-4.1A)
3GK  A 301 (-3.7A)
 0.20A 3q07B-6bu3A:
49.2		 3q07B-6bu3A:
97.50