SIMILAR PATTERNS OF AMINO ACIDS FOR 4WNU_B_QDNB602_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.
1dm3 BIOSYNTHETIC
THIOLASE ACETYLATED
AT CYS89

(Zoogloea
ramigera) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 LEU A 377
PHE A 319
ALA A 343
SER A 247
ALA A 246
 SCY  A  89 ( 3.8A)
ACO  A 813 (-4.4A)
None
ACO  A 813 (-3.7A)
ACO  A 813 ( 4.1A)
 1.39A 4wnuB-1dm3A:
0.0		 4wnuB-1dm3A:
22.00
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.
1jd5 APOPTOSIS 1
INHIBITOR

(Drosophila
melanogaster) 		PF00653
(BIR) 		5 LEU A 270
GLU A 314
GLN A 282
ALA A 284
ALA A 306
 None
 1.33A 4wnuB-1jd5A:
0.0		 4wnuB-1jd5A:
16.31
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		5 PHE A 565
ALA A 569
ASP A 570
SER A 573
ALA A 574
 None
 1.15A 4wnuB-1jqoA:
0.0		 4wnuB-1jqoA:
20.10
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.
1mpx ALPHA-AMINO ACID
ESTER HYDROLASE

(Xanthomonas
citri) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 LEU A 139
GLN A 284
ALA A 279
ASP A 278
ALA A 276
 None
 1.48A 4wnuB-1mpxA:
0.0		 4wnuB-1mpxA:
20.10
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.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 LEU A 160
PHE A 199
ALA A 141
SER A 115
ALA A 112
 None
 1.41A 4wnuB-1rzvA:
0.0		 4wnuB-1rzvA:
23.44
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.
1txc PATHOGENESIS-RELATED
CLASS 10 PROTEIN
SPE-16

(Pachyrhizus
erosus) 		PF00407
(Bet_v_1) 		5 LEU A  90
PHE A 119
ALA A 135
ASP A 134
ALA A 130
 None
None
2AN  A 716 ( 4.3A)
None
None
 1.14A 4wnuB-1txcA:
undetectable		 4wnuB-1txcA:
16.99
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.
2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE

(Bordetella
pertussis) 		PF03497
(Anthrax_toxA) 		5 GLU A 321
GLN A 323
PHE A 314
ALA A  13
ALA A  10
 None
 1.39A 4wnuB-2colA:
0.0		 4wnuB-2colA:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9q CYTOCHROME P450 2D6

(Homo sapiens) 		PF00067
(p450) 		6 LEU A 110
PHE A 120
GLN A 244
ASP A 301
SER A 304
ALA A 305
 None
HEM  A 600 (-4.6A)
None
None
None
HEM  A 600 (-3.6A)
 1.19A 4wnuB-2f9qA:
55.5		 4wnuB-2f9qA:
99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9q CYTOCHROME P450 2D6

(Homo sapiens) 		PF00067
(p450) 		7 LEU A 110
PHE A 120
PHE A 247
ALA A 300
ASP A 301
SER A 304
ALA A 305
 None
HEM  A 600 (-4.6A)
None
None
None
None
HEM  A 600 (-3.6A)
 0.53A 4wnuB-2f9qA:
55.5		 4wnuB-2f9qA:
99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9q CYTOCHROME P450 2D6

(Homo sapiens) 		PF00067
(p450) 		6 LEU A 248
PHE A 120
GLN A 244
ASP A 301
SER A 304
ALA A 305
 None
HEM  A 600 (-4.6A)
None
None
None
HEM  A 600 (-3.6A)
 1.43A 4wnuB-2f9qA:
55.5		 4wnuB-2f9qA:
99.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f9q CYTOCHROME P450 2D6

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 248
PHE A 120
GLU A 216
GLN A 244
ALA A 305
 None
HEM  A 600 (-4.6A)
None
None
HEM  A 600 (-3.6A)
 1.46A 4wnuB-2f9qA:
55.5		 4wnuB-2f9qA:
99.37
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.
2v7s PROBABLE CONSERVED
LIPOPROTEIN LPPA

(Mycobacterium
tuberculosis) 		PF16708
(LppA) 		5 PHE A 126
ALA A  78
ASP A  79
SER A  82
ALA A  83
 None
 0.77A 4wnuB-2v7sA:
undetectable		 4wnuB-2v7sA:
17.01
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		5 LEU A 196
GLN A 198
ALA A 158
ASP A 131
ALA A  24
 None
 1.38A 4wnuB-2ynkA:
undetectable		 4wnuB-2ynkA:
21.94
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.
3bq3 DEFECTIVE IN CULLIN
NEDDYLATION PROTEIN
1

(Saccharomyces
cerevisiae) 		PF03556
(Cullin_binding)
PF14555
(UBA_4) 		5 GLU A 198
GLN A 196
PHE A 194
ASP A 106
ALA A 108
 None
 1.37A 4wnuB-3bq3A:
undetectable		 4wnuB-3bq3A:
18.33
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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A  74
GLN A 410
PHE A 414
ALA A  55
ALA A 133
 None
 1.31A 4wnuB-3glqA:
undetectable		 4wnuB-3glqA:
22.94
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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 LEU A1775
GLU A1464
ALA A1810
SER A1814
ALA A1880
 None
 1.43A 4wnuB-3hmjA:
undetectable		 4wnuB-3hmjA:
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.
3ks2 CHAPERONE PROTEIN
IPGC

(Shigella
flexneri) 		PF07720
(TPR_3) 		5 LEU A 117
GLN A 114
ALA A  89
ASP A  91
ALA A  94
 None
 1.49A 4wnuB-3ks2A:
undetectable		 4wnuB-3ks2A:
13.60
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.
3qil CLATHRIN HEAVY CHAIN
1

(Bos taurus) 		PF00637
(Clathrin) 		5 LEU A1585
GLU A1551
GLN A1555
PHE A1557
ALA A1568
 None
 1.22A 4wnuB-3qilA:
undetectable		 4wnuB-3qilA:
14.29
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.
3tlm SARCOPLASMIC/ENDOPLA
SMIC RETICULUM
CALCIUM ATPASE 1

(Bos taurus) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF08282
(Hydrolase_3)
PF13246
(Cation_ATPase) 		5 LEU A 166
GLU A  11
PHE A  16
ALA A 224
ALA A   4
 None
 1.21A 4wnuB-3tlmA:
undetectable		 4wnuB-3tlmA:
20.20
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.
4fgw GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(+)] 1

(Saccharomyces
cerevisiae) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 LEU A 179
ALA A 297
ASP A 301
SER A 296
ALA A 300
 None
 1.29A 4wnuB-4fgwA:
1.0		 4wnuB-4fgwA:
21.98
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.
4ict CYTOCHROME P450 121

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 LEU A 392
PHE A 241
PHE A 137
ALA A 138
ALA A 355
 None
HEM  A 405 ( 4.6A)
None
None
None
 1.07A 4wnuB-4ictA:
28.4		 4wnuB-4ictA:
23.62
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.
4o99 ACETYL-COA
ACETYLTRANSFERASE

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 LEU A 378
PHE A 320
ALA A 344
SER A 248
ALA A 247
 None
 1.38A 4wnuB-4o99A:
undetectable		 4wnuB-4o99A:
21.20
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.
4ony EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 5

(Brucella
melitensis) 		PF00496
(SBP_bac_5) 		5 GLU A 374
ALA A 538
ASP A 539
SER A 542
ALA A 543
 None
 1.36A 4wnuB-4onyA:
undetectable		 4wnuB-4onyA:
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.
4u3t PENICILLIN-BINDING
PROTEIN 2

(Neisseria
gonorrhoeae) 		PF00905
(Transpeptidase) 		5 PHE A 462
GLU A 385
ALA A 323
ASP A 322
ALA A 318
 None
 1.31A 4wnuB-4u3tA:
undetectable		 4wnuB-4u3tA:
21.97
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.
4zrq TRANSCOBALAMIN-2

(Homo sapiens) 		PF01122
(Cobalamin_bind)
PF14478
(DUF4430) 		5 LEU A 388
GLU A 219
ALA A 264
SER A 259
ALA A 258
 None
 1.40A 4wnuB-4zrqA:
undetectable		 4wnuB-4zrqA:
23.38
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.
5f38 ACETYL-COA
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 LEU B 378
PHE B 320
ALA B 344
SER B 248
ALA B 247
 CSX  B  88 ( 4.0A)
COZ  B 401 (-4.6A)
None
COZ  B 401 (-3.9A)
COZ  B 401 ( 4.4A)
 1.40A 4wnuB-5f38B:
undetectable		 4wnuB-5f38B:
23.17
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.
5ht7 UNCHARACTERIZED
PROTEIN

(Methanothrix
thermoacetophila) 		PF00030
(Crystall) 		5 GLU A  49
GLN A  53
PHE A  52
ALA A  22
ASP A  23
 None
 1.16A 4wnuB-5ht7A:
undetectable		 4wnuB-5ht7A:
9.69
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.
5ht7 UNCHARACTERIZED
PROTEIN

(Methanothrix
thermoacetophila) 		PF00030
(Crystall) 		5 GLU A  49
GLN A  53
PHE A  52
ALA A  22
SER A  78
 None
 1.38A 4wnuB-5ht7A:
undetectable		 4wnuB-5ht7A:
9.69
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.
5ljo OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 GLN A 803
PHE A 663
ASP A 740
SER A 769
ALA A 770
 None
 1.23A 4wnuB-5ljoA:
undetectable		 4wnuB-5ljoA:
21.07
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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 5 LEU A 312
PHE A 264
ALA A 268
ASP A 271
ALA A 227
 None
 1.47A 4wnuB-5ta1A:
undetectable		 4wnuB-5ta1A:
19.47