SIMILAR PATTERNS OF AMINO ACIDS FOR 2VAX_B_CSCB1384

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
 1.43A 2vaxB-1ad3A:
2.6		 2vaxB-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.
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
 0.61A 2vaxB-2b61A:
43.3		 2vaxB-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
 0.85A 2vaxB-2b61A:
43.3		 2vaxB-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 2vaxB-2c3oA:
0.7		 2vaxB-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
ASN A 222
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 (-3.8A)
COA  A1383 ( 4.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 1.09A 2vaxB-2vatA:
59.0		 2vaxB-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) 		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)
 0.93A 2vaxB-2vatA:
59.0		 2vaxB-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) 		5 ASN A 222
GLN A 281
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 ( 4.8A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 1.27A 2vaxB-2vatA:
59.0		 2vaxB-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)
 0.64A 2vaxB-2vatA:
59.0		 2vaxB-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.
3o60 LIN0861 PROTEIN

(Listeria
innocua) 		no annotation 5 THR A  20
THR A  22
ARG A  74
GLN A  77
HIS A  61
 None
 1.21A 2vaxB-3o60A:
undetectable		 2vaxB-3o60A:
17.87
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.
3szb ALDEHYDE
DEHYDROGENASE

(Homo sapiens) 		PF00171
(Aldedh) 		5 LEU A 119
THR A 186
TYR A 412
LYS A 416
HIS A 413
 I1E  A1001 ( 4.8A)
None
None
None
None
 1.39A 2vaxB-3szbA:
0.0		 2vaxB-3szbA:
21.37
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 2vaxB-3vvlA:
45.5		 2vaxB-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.
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
 1.20A 2vaxB-4rjkA:
0.0		 2vaxB-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.
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
 1.35A 2vaxB-5ez3A:
undetectable		 2vaxB-5ez3A:
23.53
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
TYR A 265
GLN A 269
HIS A 350
PHE A 353
 None
 0.88A 2vaxB-5w8oA:
45.6		 2vaxB-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
 0.86A 2vaxB-5w8pA:
46.2		 2vaxB-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.
6apb ADI-14359 FAB LIGHT
CHAIN

(Homo sapiens) 		no annotation 5 THR L 102
THR L  85
TYR L 140
GLN L 166
VAL L  19
 None
 1.47A 2vaxB-6apbL:
undetectable		 2vaxB-6apbL:
10.88