SIMILAR PATTERNS OF AMINO ACIDS FOR 2VAV_A_CSCA1383

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.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		5 THR A 124
LEU A 123
ARG A 184
ASP A 144
PHE A 164
 None
None
None
MN  A 350 ( 2.6A)
None
 1.48A 2vavA-1gq7A:
3.3		 2vavA-1gq7A:
22.12
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
 1.50A 2vavA-1v47A:
0.9		 2vavA-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 ARG A 212
TYR A 219
HIS A 337
ASP A 338
PHE A 340
 None
 0.80A 2vavA-2b61A:
43.4		 2vavA-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
 0.62A 2vavA-2b61A:
43.4		 2vavA-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) 		5 ARG A 218
TYR A 225
ARG A 234
HIS A 362
PHE A 365
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
 1.04A 2vavA-2vatA:
59.7		 2vavA-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
ARG A 234
HIS A 362
ASP A 363
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)
COA  A1383 (-2.8A)
None
COA  A1383 (-3.6A)
 0.85A 2vavA-2vatA:
59.7		 2vavA-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 THR A  60
TYR A 225
LYS A 226
ARG A 234
ASP A 363
 COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 (-2.8A)
 1.40A 2vavA-2vatA:
59.7		 2vavA-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) 		7 LEU A  53
ARG A 218
TYR A 225
ARG A 234
HIS A 352
ASP A 353
PHE A 355
 None
 0.97A 2vavA-3vvlA:
45.5		 2vavA-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.
4z64 PHYTOSULFOKINE
RECEPTOR 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 THR A 394
LEU A 392
THR A 393
ASP A 502
PHE A 503
 None
 1.37A 2vavA-4z64A:
0.3		 2vavA-4z64A:
19.66
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
ARG A 227
TYR A 234
ARG A 243
HIS A 350
ASP A 351
PHE A 353
 None
 0.94A 2vavA-5w8oA:
45.7		 2vavA-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
ARG A 243
HIS A 350
PHE A 353
 None
 0.79A 2vavA-5w8oA:
45.7		 2vavA-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) 		5 ARG A 230
TYR A 237
HIS A 357
ASP A 358
PHE A 360
 None
 0.70A 2vavA-5w8pA:
46.2		 2vavA-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 LEU A  63
THR A  64
ARG A 230
TYR A 237
ARG A 246
HIS A 357
 None
 0.75A 2vavA-5w8pA:
46.2		 2vavA-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 LEU A  63
THR A  64
ARG A 230
TYR A 237
HIS A 357
PHE A 360
 None
 0.55A 2vavA-5w8pA:
46.2		 2vavA-5w8pA:
32.95