SIMILAR PATTERNS OF AMINO ACIDS FOR 2VAX_L_CSCL1383_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) 		5 THR A  50
ARG A 212
TYR A 219
HIS A 337
PHE A 340
 None
 0.65A 2vaxL-2b61A:
43.1		 2vaxL-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 THR A  50
TYR A 219
TYR A 249
HIS A 337
PHE A 340
 None
 0.88A 2vaxL-2b61A:
43.1		 2vaxL-2b61A:
28.63
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)
 0.90A 2vaxL-2vatA:
58.2		 2vaxL-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
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 ( 4.1A)
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)
COA  A1383 (-3.6A)
 0.74A 2vaxL-2vatA:
58.2		 2vaxL-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
THR A  60
TYR A 225
LYS A 226
GLN A 281
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 ( 4.1A)
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.71A 2vaxL-2vatA:
58.2		 2vaxL-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
THR A  60
TYR A 225
LYS A 226
TYR A 277
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 ( 4.1A)
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.44A 2vaxL-2vatA:
58.2		 2vaxL-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 2vaxL-3gveA:
0.0		 2vaxL-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) 		5 ARG A 218
TYR A 225
ARG A 234
HIS A 352
PHE A 355
 None
 0.73A 2vaxL-3vvlA:
45.4		 2vaxL-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) 		5 ARG A 218
TYR A 225
TYR A 260
HIS A 352
PHE A 355
 None
 0.74A 2vaxL-3vvlA:
45.4		 2vaxL-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.
4ht1 CHIMERIC ANTIBODY
FAB

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR L 106
THR L  85
TYR L 144
GLN L 170
VAL L  19
 None
 1.39A 2vaxL-4ht1L:
0.0		 2vaxL-4ht1L:
18.86
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
 1.23A 2vaxL-5aocA:
14.3		 2vaxL-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.
5c0n FAB CA33 LIGHT CHAIN

(Oryctolagus
cuniculus) 		no annotation 5 THR L 107
THR L  85
TYR L 145
GLN L 171
VAL L  19
 None
 1.42A 2vaxL-5c0nL:
0.0		 2vaxL-5c0nL:
20.85
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 THR A  61
ARG A 227
TYR A 234
ARG A 243
GLN A 269
HIS A 350
PHE A 353
 None
 0.99A 2vaxL-5w8oA:
45.7		 2vaxL-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 THR A  61
ARG A 227
TYR A 234
ARG A 243
TYR A 265
HIS A 350
PHE A 353
 None
 0.89A 2vaxL-5w8oA:
45.7		 2vaxL-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) 		6 THR A  64
ARG A 230
TYR A 237
ARG A 246
GLN A 276
HIS A 357
 None
 0.94A 2vaxL-5w8pA:
46.2		 2vaxL-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) 		6 THR A  64
ARG A 230
TYR A 237
ARG A 246
TYR A 272
HIS A 357
 None
 0.86A 2vaxL-5w8pA:
46.2		 2vaxL-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) 		6 THR A  64
ARG A 230
TYR A 237
GLN A 276
HIS A 357
PHE A 360
 None
 0.83A 2vaxL-5w8pA:
46.2		 2vaxL-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) 		6 THR A  64
ARG A 230
TYR A 237
TYR A 272
HIS A 357
PHE A 360
 None
 0.67A 2vaxL-5w8pA:
46.2		 2vaxL-5w8pA:
32.95