SIMILAR PATTERNS OF AMINO ACIDS FOR 4J4V_E_SVRE301_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.
1e3j NADP(H)-DEPENDENT
KETOSE REDUCTASE

(Bemisia
argentifolii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 265
ASN A 242
ALA A 193
VAL A 243
MET A 268
 None
 1.28A 4j4vA-1e3jA:
0.0
4j4vE-1e3jA:
0.0		 4j4vA-1e3jA:
21.39
4j4vE-1e3jA:
21.39
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.
1fdr FLAVODOXIN REDUCTASE

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 GLY A 213
VAL A 218
GLN A 222
PRO A 120
PHE A  98
 None
 1.26A 4j4vA-1fdrA:
undetectable
4j4vE-1fdrA:
undetectable		 4j4vA-1fdrA:
21.01
4j4vE-1fdrA:
21.01
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.
1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT

(Escherichia
coli) 		PF09163
(Form-deh_trans)
PF12800
(Fer4_4)
PF13247
(Fer4_11) 		5 GLY B 221
ASN B 215
ALA B 196
MET B 101
PHE B 145
 None
None
None
None
SF4  B 807 (-4.7A)
 1.21A 4j4vA-1kqgB:
undetectable
4j4vE-1kqgB:
undetectable		 4j4vA-1kqgB:
21.62
4j4vE-1kqgB:
21.62
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.
1mpt M-PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		5 GLY A 219
ASN A 218
VAL A 203
GLN A 182
PRO A 225
 None
 1.49A 4j4vA-1mptA:
0.0
4j4vE-1mptA:
0.0		 4j4vA-1mptA:
24.21
4j4vE-1mptA:
24.21
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		5 GLY A 329
ARG A 352
ALA A 351
VAL A 331
PHE A 305
 None
 1.49A 4j4vA-1x0uA:
0.5
4j4vE-1x0uA:
0.8		 4j4vA-1x0uA:
20.87
4j4vE-1x0uA:
20.87
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.
3bc9 ALPHA AMYLASE,
CATALYTIC REGION

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 GLY A 428
ASN A 431
ARG A 425
VAL A 430
PHE A 412
 None
 1.21A 4j4vA-3bc9A:
undetectable
4j4vE-3bc9A:
undetectable		 4j4vA-3bc9A:
17.01
4j4vE-3bc9A:
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.
3hbu SECRETED PROTEASE C

(Dickeya
chrysanthemi) 		PF00353
(HemolysinCabind)
PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		5 GLY P 330
ASN P 331
VAL P 325
GLN P 313
PHE P  30
 None
 1.49A 4j4vA-3hbuP:
0.0
4j4vE-3hbuP:
0.0		 4j4vA-3hbuP:
19.49
4j4vE-3hbuP:
19.49
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.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens) 		PF01593
(Amino_oxidase) 		5 GLY A 341
ARG A 359
ALA A 348
GLN A 324
PHE A 370
 None
 1.50A 4j4vA-3rhaA:
0.0
4j4vE-3rhaA:
0.0		 4j4vA-3rhaA:
21.62
4j4vE-3rhaA:
21.62
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.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 189
ASN A 229
ALA A 236
VAL A 198
MET A 200
 None
 1.46A 4j4vA-3u4aA:
0.0
4j4vE-3u4aA:
0.0		 4j4vA-3u4aA:
17.02
4j4vE-3u4aA:
17.02
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.
3vi1 ALKALINE
METALLOPROTEINASE

(Pseudomonas
aeruginosa) 		PF08548
(Peptidase_M10_C)
PF13583
(Reprolysin_4) 		5 GLY A 318
ASN A 319
VAL A 313
GLN A 301
PHE A  12
 None
 1.43A 4j4vA-3vi1A:
0.0
4j4vE-3vi1A:
0.0		 4j4vA-3vi1A:
19.31
4j4vE-3vi1A:
19.31
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 734
ALA A 739
VAL A 736
GLN A 471
MET A 472
 None
None
None
EDO  A2003 (-4.2A)
None
 1.33A 4j4vA-4cu8A:
undetectable
4j4vE-4cu8A:
undetectable		 4j4vA-4cu8A:
14.46
4j4vE-4cu8A:
14.46
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.
4gvx 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		5 GLY A  14
ALA A 228
VAL A  12
PRO A  42
PHE A  46
 NAP  A 301 (-3.2A)
None
None
None
None
 1.23A 4j4vA-4gvxA:
0.0
4j4vE-4gvxA:
0.0		 4j4vA-4gvxA:
21.92
4j4vE-4gvxA:
21.92
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.
4gvx 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		5 GLY A  15
ALA A 228
VAL A  12
PRO A  42
PHE A  46
 None
 1.44A 4j4vA-4gvxA:
0.0
4j4vE-4gvxA:
0.0		 4j4vA-4gvxA:
21.92
4j4vE-4gvxA:
21.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j4s NUCLEOCAPSID PROTEIN

(SFTS
phlebovirus) 		PF05733
(Tenui_N) 		8 GLY A  65
ASN A  66
ALA A  96
VAL A 105
GLN A 109
PRO A 127
MET A 147
PHE A 177
 None
 0.72A 4j4vA-4j4sA:
36.9
4j4vE-4j4sA:
36.2		 4j4vA-4j4sA:
98.79
4j4vE-4j4sA:
98.79
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.
4oqq DEOXYRIBONUCLEOSIDE
REGULATOR

(Bacillus
subtilis) 		PF04198
(Sugar-bind) 		5 GLY A  98
ALA A 296
VAL A 277
MET A 120
PHE A 160
 None
 1.31A 4j4vA-4oqqA:
undetectable
4j4vE-4oqqA:
undetectable		 4j4vA-4oqqA:
24.22
4j4vE-4oqqA:
24.22
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.
4z43 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE PRNA

(Pseudomonas
fluorescens) 		PF04820
(Trp_halogenase) 		5 GLY A 285
ALA A 300
VAL A 246
GLN A 316
PRO A 344
 None
None
None
None
FAD  A 601 ( 4.3A)
 1.35A 4j4vA-4z43A:
undetectable
4j4vE-4z43A:
undetectable		 4j4vA-4z43A:
19.34
4j4vE-4z43A:
19.34
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.
4zyj DNMZ

(Streptomyces
peucetius) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A  99
ALA A 263
PRO A  54
MET A 175
PHE A  58
 None
 1.31A 4j4vA-4zyjA:
1.3
4j4vE-4zyjA:
undetectable		 4j4vA-4zyjA:
20.28
4j4vE-4zyjA:
20.28
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.
5hxk ZINC-DEPENDENT
PEPTIDASE

(Thermus
thermophilus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 GLY A 188
ALA A 353
VAL A 186
PRO A  91
PHE A  89
 GLY  A 188 ( 0.0A)
ALA  A 353 ( 0.0A)
VAL  A 186 ( 0.6A)
PRO  A  91 ( 1.1A)
PHE  A  89 ( 1.3A)
 1.47A 4j4vA-5hxkA:
undetectable
4j4vE-5hxkA:
0.0		 4j4vA-5hxkA:
22.25
4j4vE-5hxkA:
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.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 GLY A 465
ARG A 451
GLN A 249
MET A 418
PHE A 123
 None
 1.32A 4j4vA-5nvaA:
undetectable
4j4vE-5nvaA:
0.0		 4j4vA-5nvaA:
15.92
4j4vE-5nvaA:
15.92
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.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 221
ASN A 261
ALA A 268
VAL A 230
MET A 232
 None
 1.42A 4j4vA-5tf0A:
0.0
4j4vE-5tf0A:
undetectable		 4j4vA-5tf0A:
15.58
4j4vE-5tf0A:
15.58
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.
5v9x ATP-DEPENDENT DNA
HELICASE

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A 417
ALA A 614
VAL A 420
GLN A 423
PRO A 409
 None
 1.31A 4j4vA-5v9xA:
0.0
4j4vE-5v9xA:
undetectable		 4j4vA-5v9xA:
16.98
4j4vE-5v9xA:
16.98
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.
6arr ACETYL-COA
ACETYLTRANSFERASE

(Aspergillus
fumigatus) 		no annotation 5 GLY A 348
ASN A 344
ALA A 318
PRO A 225
PHE A 199
 None
 1.42A 4j4vA-6arrA:
undetectable
4j4vE-6arrA:
undetectable		 4j4vA-6arrA:
17.34
4j4vE-6arrA:
17.34