SIMILAR PATTERNS OF AMINO ACIDS FOR 2BM9_C_SAMC301_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.
1aso ASCORBATE OXIDASE

(Cucurbita pepo) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 220
ASP A 255
ARG A 322
ASP A 319
 None
 1.44A 2bm9C-1asoA:
0.0		 2bm9C-1asoA:
17.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		4 SER A  95
ASP A 116
ARG A 117
ASP A 138
 SAM  A 301 (-3.0A)
SAM  A 301 (-3.0A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
 0.47A 2bm9C-2br4A:
34.5		 2bm9C-2br4A:
99.15
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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 4 SER E 352
ASP E 153
ARG E  81
ASP E  83
 None
 1.45A 2bm9C-3aoeE:
1.7		 2bm9C-3aoeE:
20.57
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.
3cgu PROTEIN GIANT-LENS

(Drosophila
melanogaster) 		PF11581
(Argos) 		4 SER A 346
ASP A 274
ARG A 277
ASP A 126
 None
 1.44A 2bm9C-3cguA:
0.0		 2bm9C-3cguA:
20.38
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.
3gg9 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
OXIDOREDUCTASE
PROTEIN

(Ralstonia
solanacearum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 SER A  91
ASP A  99
ARG A  72
ASP A  76
 None
 1.45A 2bm9C-3gg9A:
4.1		 2bm9C-3gg9A:
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 SER A 251
ASP A 203
ARG A 208
ASP A 207
 NAD  A 503 ( 4.4A)
NAD  A 503 (-2.8A)
NAD  A 503 (-4.0A)
None
 0.90A 2bm9C-3jv7A:
5.2		 2bm9C-3jv7A:
20.90
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.
3rj9 ALCOHOL
DEHYDROGENASE

(Scaptodrosophila
lebanonensis) 		PF00106
(adh_short) 		4 SER A  22
ASP A  37
ARG A  38
ASP A  63
 None
NAD  A 850 (-2.7A)
None
NAD  A 850 (-3.3A)
 1.45A 2bm9C-3rj9A:
5.5		 2bm9C-3rj9A:
22.58
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.
4a8j ELONGATOR COMPLEX
PROTEIN 5

(Saccharomyces
cerevisiae) 		PF10483
(Elong_Iki1) 		4 SER B 185
ASP B 172
ARG B 205
ASP B 219
 None
 1.23A 2bm9C-4a8jB:
2.9		 2bm9C-4a8jB:
21.84
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.
4bv4 PROTEIN TOLL,
VARIABLE LYMPHOCYTE
RECEPTOR B CHIMERA

(Drosophila
melanogaster;
Eptatretus
burgeri) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		4 SER R 206
ASP R 251
ARG R 299
ASP R 273
 None
 1.48A 2bm9C-4bv4R:
0.0		 2bm9C-4bv4R:
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		4 SER V 147
ASP V 113
ARG V 110
ASP V 107
 None
CA  V2430 (-2.7A)
None
None
 1.30A 2bm9C-4bxsV:
undetectable		 2bm9C-4bxsV:
9.21
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.
4ruw ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE

(Beutenbergia
cavernae) 		PF03372
(Exo_endo_phos) 		4 SER A 361
ASP A 302
ARG A 326
ASP A  52
 None
 1.20A 2bm9C-4ruwA:
undetectable		 2bm9C-4ruwA:
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.
4xb6 ALPHA-D-RIBOSE
1-METHYLPHOSPHONATE
5-PHOSPHATE C-P
LYASE

(Escherichia
coli) 		PF06007
(PhnJ) 		4 SER D 249
ASP D 270
ARG D  97
ASP D 100
 None
 1.38A 2bm9C-4xb6D:
undetectable		 2bm9C-4xb6D:
22.30
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.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		4 SER A 146
ASP A  94
ARG A 289
ASP A 259
 None
None
None
ATP  A 801 ( 4.9A)
 1.48A 2bm9C-5e84A:
undetectable		 2bm9C-5e84A:
15.17
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 4 SER Y 261
ASP Y 150
ARG Y 149
ASP Y 148
 None
 1.43A 2bm9C-5gaiY:
undetectable		 2bm9C-5gaiY:
15.86
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.
5k4p PROBABLE
PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-1

(Escherichia
coli) 		PF00884
(Sulfatase) 		4 SER A 464
ASP A 366
ARG A 365
ASP A 404
 None
 1.46A 2bm9C-5k4pA:
undetectable		 2bm9C-5k4pA:
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 4 SER A  32
ASP A 170
ARG A 166
ASP A 164
 None
 1.06A 2bm9C-5o25A:
undetectable		 2bm9C-5o25A:
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.
5yy3 -

(-) 		no annotation 4 SER A 258
ASP A 380
ARG A 167
ASP A 168
 None
 1.42A 2bm9C-5yy3A:
undetectable		 2bm9C-5yy3A:
undetectable