SIMILAR PATTERNS OF AMINO ACIDS FOR 2VAX_K_CSCK1385_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.
1ad3 ALDEHYDE
DEHYDROGENASE (CLASS
3)

(Rattus
norvegicus) 		PF00171
(Aldedh) 		5 LEU A 119
THR A 186
TYR A 412
LYS A 416
HIS A 413
 None
 1.45A 2vaxK-1ad3A:
2.5		 2vaxK-1ad3A:
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.
1nfd N15 ALPHA-BETA
T-CELL RECEPTOR

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF09291
(DUF1968) 		5 LEU B 114
THR B 115
LYS B  41
ARG A 111
GLN B 177
 None
 1.48A 2vaxK-1nfdB:
undetectable		 2vaxK-1nfdB:
17.19
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.
1nzj HYPOTHETICAL PROTEIN
YADB

(Escherichia
coli) 		PF00749
(tRNA-synt_1c) 		5 THR A 198
LEU A 194
ARG A   9
ARG A  36
TYR A   6
 None
 1.34A 2vaxK-1nzjA:
0.8		 2vaxK-1nzjA:
21.85
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.
2b61 HOMOSERINE
O-ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00561
(Abhydrolase_1) 		7 LEU A  49
THR A  50
ARG A 212
TYR A 219
GLN A 253
HIS A 337
PHE A 340
 None
 1.15A 2vaxK-2b61A:
43.3		 2vaxK-2b61A:
28.63
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.
2b61 HOMOSERINE
O-ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00561
(Abhydrolase_1) 		7 LEU A  49
THR A  50
TYR A 219
TYR A 249
GLN A 253
HIS A 337
PHE A 340
 None
 1.13A 2vaxK-2b61A:
43.3		 2vaxK-2b61A:
28.63
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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		5 LEU A 340
TYR A 131
GLN A 135
HIS A 127
PHE A 170
 None
 1.22A 2vaxK-2c3oA:
0.5		 2vaxK-2c3oA:
15.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE

(Acremonium
chrysogenum) 		PF00561
(Abhydrolase_1) 		5 ARG A 218
TYR A 225
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 0.94A 2vaxK-2vatA:
58.3		 2vaxK-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE

(Acremonium
chrysogenum) 		PF00561
(Abhydrolase_1) 		9 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 0.72A 2vaxK-2vatA:
58.3		 2vaxK-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE

(Acremonium
chrysogenum) 		PF00561
(Abhydrolase_1) 		10 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 0.71A 2vaxK-2vatA:
58.3		 2vaxK-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vvl HOMOSERINE
O-ACETYLTRANSFERASE

(Streptomyces
lavendulae) 		PF00561
(Abhydrolase_1) 		6 LEU A  53
ARG A 218
TYR A 225
ARG A 234
HIS A 352
PHE A 355
 None
 0.79A 2vaxK-3vvlA:
45.4		 2vaxK-3vvlA:
31.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vvl HOMOSERINE
O-ACETYLTRANSFERASE

(Streptomyces
lavendulae) 		PF00561
(Abhydrolase_1) 		6 LEU A  53
ARG A 218
TYR A 225
TYR A 260
HIS A 352
PHE A 355
 None
 0.84A 2vaxK-3vvlA:
45.4		 2vaxK-3vvlA:
31.85
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.
4dgk PHYTOENE
DEHYDROGENASE

(Pantoea
ananatis) 		PF01593
(Amino_oxidase) 		5 LEU A 207
TYR A 121
ARG A 116
GLN A 123
VAL A 170
 None
 1.46A 2vaxK-4dgkA:
0.2		 2vaxK-4dgkA:
21.65
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.
4q8k ALGINASE

(Pseudoalteromonas
sp. SM0524) 		PF08787
(Alginate_lyase2) 		5 LEU A 295
LYS A 349
ARG A 219
GLN A 355
HIS A 258
 None
SO4  A 503 ( 3.9A)
SO4  A 503 (-2.9A)
None
None
 1.37A 2vaxK-4q8kA:
undetectable		 2vaxK-4q8kA:
21.60
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.
4rjk ACETOLACTATE
SYNTHASE

(Bacillus
subtilis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 THR A  98
LEU A  97
TYR A 481
PHE A  66
VAL A 428
 None
None
TPP  A 601 (-4.2A)
None
None
 1.21A 2vaxK-4rjkA:
undetectable		 2vaxK-4rjkA:
22.72
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		5 LEU A 666
ARG A 660
GLN A 716
PHE A 641
VAL A 263
 None
 1.17A 2vaxK-5jxkA:
undetectable		 2vaxK-5jxkA:
21.53
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.
5l9s ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (MANNOPINE)

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		5 THR A 134
LEU A 115
TYR A  48
GLN A 141
HIS A 108
 None
 1.46A 2vaxK-5l9sA:
0.9		 2vaxK-5l9sA:
20.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		8 LEU A  60
THR A  61
ARG A 227
TYR A 234
ARG A 243
TYR A 265
HIS A 350
PHE A 353
 None
 0.90A 2vaxK-5w8oA:
45.6		 2vaxK-5w8oA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		7 LEU A  60
TYR A 234
ARG A 243
TYR A 265
GLN A 269
HIS A 350
PHE A 353
 None
 1.15A 2vaxK-5w8oA:
45.6		 2vaxK-5w8oA:
33.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w8p HOMOSERINE
O-ACETYLTRANSFERASE

(Mycobacteroides
abscessus) 		PF00561
(Abhydrolase_1) 		7 LEU A  63
ARG A 230
TYR A 237
ARG A 246
TYR A 272
GLN A 276
HIS A 357
 None
 1.07A 2vaxK-5w8pA:
46.0		 2vaxK-5w8pA:
32.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w8p HOMOSERINE
O-ACETYLTRANSFERASE

(Mycobacteroides
abscessus) 		PF00561
(Abhydrolase_1) 		7 LEU A  63
ARG A 230
TYR A 237
TYR A 272
GLN A 276
HIS A 357
PHE A 360
 None
 0.90A 2vaxK-5w8pA:
46.0		 2vaxK-5w8pA:
32.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w8p HOMOSERINE
O-ACETYLTRANSFERASE

(Mycobacteroides
abscessus) 		PF00561
(Abhydrolase_1) 		7 LEU A  63
THR A  64
ARG A 230
TYR A 237
ARG A 246
TYR A 272
HIS A 357
 None
 0.87A 2vaxK-5w8pA:
46.0		 2vaxK-5w8pA:
32.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w8p HOMOSERINE
O-ACETYLTRANSFERASE

(Mycobacteroides
abscessus) 		PF00561
(Abhydrolase_1) 		7 LEU A  63
THR A  64
ARG A 230
TYR A 237
TYR A 272
HIS A 357
PHE A 360
 None
 0.71A 2vaxK-5w8pA:
46.0		 2vaxK-5w8pA:
32.95
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.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 5 LEU A 522
THR A 519
TYR A 201
GLN A 198
HIS A 203
 None
 1.50A 2vaxK-5wdxA:
undetectable		 2vaxK-5wdxA:
20.49