SIMILAR PATTERNS OF AMINO ACIDS FOR 2VAX_D_CSCD1383_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.
2b61 HOMOSERINE
O-ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00561
(Abhydrolase_1) 		6 LEU A  49
THR A  50
ARG A 212
TYR A 219
TYR A 249
GLN A 253
 None
 1.12A 2vaxD-2b61A:
43.5		 2vaxD-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
ARG A 212
TYR A 219
TYR A 249
HIS A 337
PHE A 340
 None
 0.85A 2vaxD-2b61A:
43.5		 2vaxD-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
 1.19A 2vaxD-2c3oA:
0.7		 2vaxD-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) 		6 ARG A 218
TYR A 225
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.84A 2vaxD-2vatA:
58.6		 2vaxD-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) 		11 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
MET A 367
 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)
COA  A1383 (-3.6A)
 0.63A 2vaxD-2vatA:
58.6		 2vaxD-2vatA:
100.00
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 THR A 328
THR A 332
HIS A  87
VAL A  92
MET A  93
 None
 1.37A 2vaxD-3gveA:
0.0		 2vaxD-3gveA:
22.27
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
 0.78A 2vaxD-3vvlA:
45.8		 2vaxD-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.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 274
TYR A 200
GLN A 145
HIS A 202
MET A 226
 None
 1.27A 2vaxD-4qn3A:
undetectable		 2vaxD-4qn3A:
20.73
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
 1.24A 2vaxD-4rjkA:
0.2		 2vaxD-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.
5aoc ESTERASE

(Thermogutta
terrifontis) 		PF07859
(Abhydrolase_3) 		5 THR A 135
ARG A 107
PHE A  50
VAL A  48
MET A  78
 None
PG4  A1285 (-3.5A)
None
None
None
 1.19A 2vaxD-5aocA:
14.3		 2vaxD-5aocA:
20.09
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.
5ez3 ACYL-COA
DEHYDROGENASE

(Brucella
melitensis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 THR A 235
LEU A 234
TYR A  91
PHE A 281
VAL A 279
 None
 1.30A 2vaxD-5ez3A:
undetectable		 2vaxD-5ez3A:
23.53
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
 1.45A 2vaxD-5l9sA:
undetectable		 2vaxD-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) 		6 LEU A  60
ARG A 227
TYR A 265
GLN A 269
HIS A 350
PHE A 353
 None
 0.97A 2vaxD-5w8oA:
45.7		 2vaxD-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
THR A  61
ARG A 227
TYR A 234
TYR A 265
HIS A 350
PHE A 353
 None
 0.68A 2vaxD-5w8oA:
45.7		 2vaxD-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) 		8 LEU A  63
THR A  64
ARG A 230
TYR A 237
TYR A 272
GLN A 276
HIS A 357
PHE A 360
 None
 0.92A 2vaxD-5w8pA:
46.2		 2vaxD-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
 1.46A 2vaxD-5wdxA:
undetectable		 2vaxD-5wdxA:
20.49