SIMILAR PATTERNS OF AMINO ACIDS FOR 2VAV_J_CSCJ1385

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 2vavJ-1gq7A:
3.3		 2vavJ-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.
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
 0.96A 2vavJ-2b61A:
43.2		 2vavJ-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
ARG A 212
TYR A 219
PHE A 340
 None
 0.72A 2vavJ-2b61A:
43.2		 2vavJ-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
 1.02A 2vavJ-2b61A:
43.2		 2vavJ-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
PHE A 340
 None
 0.90A 2vavJ-2b61A:
43.2		 2vavJ-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) 		9 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
ASP A 363
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 (-3.8A)
COA  A1383 (-2.8A)
None
COA  A1383 ( 4.9A)
 0.85A 2vavJ-2vatA:
58.2		 2vavJ-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
ASP A 363
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 (-2.8A)
None
COA  A1383 ( 4.9A)
 0.66A 2vavJ-2vatA:
58.2		 2vavJ-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)
 1.37A 2vavJ-2vatA:
58.2		 2vavJ-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.
3jbr VOLTAGE-DEPENDENT
CALCIUM CHANNEL
SUBUNIT
ALPHA-2/DELTA-1

(Oryctolagus
cuniculus) 		PF00092
(VWA)
PF08399
(VWA_N)
PF08473
(VGCC_alpha2) 		5 LEU F 508
THR F 507
GLN F 447
ASP F 289
PHE F 290
 None
 1.39A 2vavJ-3jbrF:
2.1		 2vavJ-3jbrF:
14.99
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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		5 LEU A 245
THR A 224
ASP A 215
PHE A 249
VAL A 216
 None
 1.40A 2vavJ-3k55A:
undetectable		 2vavJ-3k55A:
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) 		5 LEU A  53
ARG A 218
TYR A 225
ARG A 234
PHE A 355
 None
 0.82A 2vavJ-3vvlA:
45.3		 2vavJ-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 LEU A  53
ARG A 218
TYR A 225
TYR A 260
PHE A 355
 None
 0.72A 2vavJ-3vvlA:
45.3		 2vavJ-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 LEU A  53
TYR A 225
ARG A 234
ASP A 353
PHE A 355
 None
 1.10A 2vavJ-3vvlA:
45.3		 2vavJ-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 LEU A  53
TYR A 225
TYR A 260
ASP A 353
PHE A 355
 None
 0.86A 2vavJ-3vvlA:
45.3		 2vavJ-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 2vavJ-4z64A:
1.3		 2vavJ-4z64A:
19.66
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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		5 LEU A1111
ARG A1141
ASP A1085
PHE A1082
VAL A1081
 None
 1.17A 2vavJ-5h64A:
0.0		 2vavJ-5h64A:
10.81
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
ARG A 227
TYR A 234
ARG A 243
TYR A 265
GLN A 269
ASP A 351
PHE A 353
 None
 1.03A 2vavJ-5w8oA:
45.5		 2vavJ-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) 		8 LEU A  60
THR A  61
ARG A 227
TYR A 234
ARG A 243
TYR A 265
GLN A 269
PHE A 353
 None
 0.95A 2vavJ-5w8oA:
45.5		 2vavJ-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) 		7 LEU A  63
THR A  64
ARG A 230
TYR A 237
ARG A 246
TYR A 272
GLN A 276
 None
 0.96A 2vavJ-5w8pA:
45.9		 2vavJ-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) 		7 LEU A  63
THR A  64
ARG A 230
TYR A 237
TYR A 272
GLN A 276
PHE A 360
 None
 0.78A 2vavJ-5w8pA:
45.9		 2vavJ-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) 		5 TYR A 237
TYR A 272
GLN A 276
ASP A 358
PHE A 360
 None
 0.82A 2vavJ-5w8pA:
45.9		 2vavJ-5w8pA:
32.95