SIMILAR PATTERNS OF AMINO ACIDS FOR 2VAV_F_CSCF1383_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
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
PHE A 301
ASP A 363
PHE A 365
VAL A 366
 COA  A1383 ( 4.1A)
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
None
COA  A1383 (-2.8A)
None
COA  A1383 ( 4.9A)
 0.84A 2vavF-2vatA:
58.4		 2vavF-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
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
PHE A 301
ASP A 363
PHE A 365
VAL A 366
 COA  A1383 ( 4.1A)
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
None
COA  A1383 (-2.8A)
None
COA  A1383 ( 4.9A)
 0.63A 2vavF-2vatA:
58.4		 2vavF-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) 		6 THR A  60
TYR A 225
LYS A 226
ARG A 234
PHE A 301
ASP A 363
 COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
None
COA  A1383 (-2.8A)
 1.42A 2vavF-2vatA:
58.4		 2vavF-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.
3p28 GREEN FLUORESCENT
PROTEIN

(Aequorea
victoria) 		PF01353
(GFP) 		5 THR A  11
LYS A  83
PHE A 219
ASP A  55
PHE A  52
 None
 1.29A 2vavF-3p28A:
0.0		 2vavF-3p28A:
19.34
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.
4cyf PANTETHEINASE

(Homo sapiens) 		PF00795
(CN_hydrolase) 		5 THR A 399
PHE A 431
ASP A 340
PHE A 342
VAL A 337
 None
 1.29A 2vavF-4cyfA:
0.1		 2vavF-4cyfA:
23.67
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 ARG A 227
TYR A 234
ARG A 243
TYR A 265
GLN A 269
ASP A 351
PHE A 353
 None
 1.04A 2vavF-5w8oA:
45.7		 2vavF-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
GLN A 269
PHE A 353
 None
 1.00A 2vavF-5w8oA:
45.7		 2vavF-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 ARG A 230
TYR A 237
TYR A 272
GLN A 276
ASP A 358
PHE A 360
 None
 0.82A 2vavF-5w8pA:
46.1		 2vavF-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
GLN A 276
 None
 1.05A 2vavF-5w8pA:
46.1		 2vavF-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
GLN A 276
PHE A 360
 None
 0.85A 2vavF-5w8pA:
46.1		 2vavF-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
 1.50A 2vavF-6apbL:
0.0		 2vavF-6apbL:
10.88