SIMILAR PATTERNS OF AMINO ACIDS FOR 3MYU_A_VIBA500_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.
1ks8 ENDO-B-1,4-GLUCANASE

(Nasutitermes
takasagoensis) 		PF00759
(Glyco_hydro_9) 		5 ASP A 299
TRP A 301
TYR A 417
ASP A 416
GLY A 302
 None
 1.45A 3myuA-1ks8A:
0.0		 3myuA-1ks8A:
20.00
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.
1sva SIMIAN VIRUS 40

(Macaca mulatta
polyomavirus 1) 		PF00718
(Polyoma_coat) 		5 ASP 1 265
HIS 1 150
ASN 1  57
ILE 1 266
GLY 1 268
 None
 1.31A 3myuA-1sva1:
undetectable		 3myuA-1sva1:
23.48
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.
1u2x ADP-SPECIFIC
PHOSPHOFRUCTOKINASE

(Pyrococcus
horikoshii) 		PF04587
(ADP_PFK_GK) 		5 ASP A 455
ASN A 182
ASP A  39
ILE A 122
GLY A 121
 None
 1.41A 3myuA-1u2xA:
0.3		 3myuA-1u2xA:
22.15
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.
1xkn PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE

(Chlorobaculum
tepidum) 		PF04371
(PAD_porph) 		5 ASP A 213
ASN A 288
ASP A  97
ASP A 220
GLY A 216
 None
 1.36A 3myuA-1xknA:
undetectable		 3myuA-1xknA:
20.05
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.
2wyh ALPHA-MANNOSIDASE

(Streptococcus
pyogenes) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 HIS A  50
TYR A  87
ASP A 110
ILE A  83
GLY A  84
 None
 1.46A 3myuA-2wyhA:
0.0		 3myuA-2wyhA:
16.81
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.
2xfg ENDOGLUCANASE 1

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		5 ASP A 312
TRP A 314
TYR A 428
ASP A 427
GLY A 315
 None
 1.35A 3myuA-2xfgA:
0.0		 3myuA-2xfgA:
22.25
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.
3cav 3-OXO-5-BETA-STEROID
4-DEHYDROGENASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 ASP A  81
ASN A  16
TYR A 113
ASP A 115
ILE A  82
 None
 1.41A 3myuA-3cavA:
0.0		 3myuA-3cavA:
23.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e79 HIGH AFFINITY
TRANSPORT SYSTEM
PROTEIN P37

(Mycoplasma
hyorhinis) 		PF06646
(Mycoplasma_p37) 		5 TYR A 215
TRP A 314
TYR A 343
ASP A 344
GLY A 380
 TPP  A 551 (-3.7A)
TPP  A 551 (-3.7A)
TPP  A 551 (-4.2A)
TPP  A 551 (-3.3A)
TPP  A 551 (-3.5A)
 0.32A 3myuA-3e79A:
41.0		 3myuA-3e79A:
33.33
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.
3ip3 OXIDOREDUCTASE,
PUTATIVE

(Thermotoga
maritima) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ASP A 186
ASP A 248
TRP A 187
ILE A 182
GLY A 181
 None
 1.48A 3myuA-3ip3A:
0.2		 3myuA-3ip3A:
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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		5 HIS A 355
ASN A 134
ASP A 412
TYR A 195
ASP A 133
 None
 1.44A 3myuA-3ob8A:
undetectable		 3myuA-3ob8A:
16.29
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.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4

(Thermotoga
neapolitana) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 ASP A 100
HIS A 303
ASN A 460
ASP A 116
GLY A  95
 None
 1.21A 3myuA-3u95A:
undetectable		 3myuA-3u95A:
21.68
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.
3zs6 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Burkholderia
pseudomallei) 		PF00496
(SBP_bac_5) 		5 ASP A 525
ASN A 405
ASP A 266
ILE A 284
GLY A 288
 None
 1.39A 3myuA-3zs6A:
1.3		 3myuA-3zs6A:
21.17
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.
5fgn LIPOOLIGOSACCHARIDE
PHOSPHOETHANOLAMINE
TRANSFERASE A

(Neisseria
meningitidis) 		PF00884
(Sulfatase)
PF08019
(DUF1705) 		5 ASP A 324
HIS A 378
TYR A 387
ILE A 380
GLY A 381
 None
 1.42A 3myuA-5fgnA:
1.2		 3myuA-5fgnA:
19.96
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.
5gy0 GLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		5 ASP A 323
TRP A 325
TYR A 440
ASP A 439
GLY A 326
 None
BGC  A 709 ( 4.3A)
None
BGC  A 709 ( 4.5A)
None
 1.29A 3myuA-5gy0A:
undetectable		 3myuA-5gy0A:
19.51
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.
5h71 ALGQ2

(Sphingomonas
sp.) 		PF01547
(SBP_bac_1) 		5 ASN A  75
ASP A 206
TRP A 270
TYR A 129
ASP A 315
 BEM  A 503 ( 3.6A)
None
BEM  A 502 ( 3.6A)
BEM  A 502 ( 4.4A)
BEM  A 503 ( 4.9A)
 1.44A 3myuA-5h71A:
4.6		 3myuA-5h71A:
21.41