SIMILAR PATTERNS OF AMINO ACIDS FOR 2VAX_A_CSCA1383_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.
1v47 ATP SULFURYLASE

(Thermus
thermophilus) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		5 LEU A  16
THR A 228
ARG A 231
PHE A  32
MET A  33
 None
 1.45A 2vaxA-1v47A:
0.9		 2vaxA-1v47A:
20.97
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) 		5 LEU A  49
THR A  50
ARG A 212
TYR A 219
GLN A 253
 None
 1.13A 2vaxA-2b61A:
43.3		 2vaxA-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) 		6 LEU A  49
THR A  50
ARG A 212
TYR A 219
HIS A 337
PHE A 340
 None
 0.64A 2vaxA-2b61A:
43.3		 2vaxA-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) 		5 LEU A  49
THR A  50
TYR A 219
TYR A 249
GLN A 253
 None
 1.15A 2vaxA-2b61A:
43.3		 2vaxA-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) 		6 LEU A  49
THR A  50
TYR A 219
TYR A 249
HIS A 337
PHE A 340
 None
 0.74A 2vaxA-2b61A:
43.3		 2vaxA-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
 1.24A 2vaxA-2c3oA:
0.0		 2vaxA-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
ARG A 234
HIS A 362
PHE A 365
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 1.10A 2vaxA-2vatA:
59.2		 2vaxA-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
MET A 367
 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 (-3.6A)
 0.77A 2vaxA-2vatA:
59.2		 2vaxA-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
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 (-3.6A)
 0.63A 2vaxA-2vatA:
59.2		 2vaxA-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
 0.78A 2vaxA-3vvlA:
45.4		 2vaxA-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
 0.79A 2vaxA-3vvlA:
45.4		 2vaxA-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.
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
 1.43A 2vaxA-4q8kA:
0.0		 2vaxA-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.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 274
TYR A 200
GLN A 145
HIS A 202
MET A 226
 None
 1.30A 2vaxA-4qn3A:
0.0		 2vaxA-4qn3A:
20.73
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) 		9 LEU A  60
THR A  61
ARG A 227
TYR A 234
ARG A 243
TYR A 265
GLN A 269
HIS A 350
PHE A 353
 None
 1.02A 2vaxA-5w8oA:
6.2		 2vaxA-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
ARG A 246
TYR A 272
GLN A 276
HIS A 357
 None
 1.00A 2vaxA-5w8pA:
46.1		 2vaxA-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) 		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
 0.86A 2vaxA-5w8pA:
46.1		 2vaxA-5w8pA:
32.95