SIMILAR PATTERNS OF AMINO ACIDS FOR 2VAV_L_CSCL1383

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.
1t47 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Streptomyces
avermitilis) 		PF00903
(Glyoxalase) 		5 TYR A 163
PHE A 210
HIS A 151
ASP A 102
VAL A 100
 None
 1.10A 2vavL-1t47A:
0.0		 2vavL-1t47A:
23.18
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
 0.86A 2vavL-2b61A:
43.1		 2vavL-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
ARG A 212
TYR A 219
HIS A 337
PHE A 340
 None
 0.68A 2vavL-2b61A:
43.1		 2vavL-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
 0.84A 2vavL-2b61A:
43.1		 2vavL-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 TYR A 219
TYR A 249
HIS A 337
ASP A 338
PHE A 340
 None
 0.68A 2vavL-2b61A:
43.1		 2vavL-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 TYR A 219
TYR A 249
PHE A 172
HIS A 337
ASP A 338
 None
 0.94A 2vavL-2b61A:
43.1		 2vavL-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
PHE A 186
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 (-3.8A)
None
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 1.06A 2vavL-2vatA:
58.3		 2vavL-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)
 0.91A 2vavL-2vatA:
58.3		 2vavL-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  58
TYR A 225
LYS A 226
ARG A 234
PHE A 301
 COA  A1383 ( 4.1A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
None
 1.31A 2vavL-2vatA:
58.3		 2vavL-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
PHE A 186
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 ( 4.9A)
None
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 1.19A 2vavL-2vatA:
58.3		 2vavL-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  60
TYR A 225
LYS A 226
ARG A 234
PHE A 301
HIS A 362
ASP A 363
PHE A 365
VAL A 366
 COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
None
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
None
COA  A1383 ( 4.9A)
 0.86A 2vavL-2vatA:
58.3		 2vavL-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  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
PHE A 301
HIS A 362
ASP A 363
PHE A 365
VAL A 366
 COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
None
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
None
COA  A1383 ( 4.9A)
 0.63A 2vavL-2vatA:
58.3		 2vavL-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.
3kez PUTATIVE SUGAR
BINDING PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 TYR A  68
ARG A 225
TYR A 229
PHE A  93
HIS A 102
 None
 1.49A 2vavL-3kezA:
0.0		 2vavL-3kezA:
21.98
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 2vavL-3vvlA:
45.0		 2vavL-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
 0.64A 2vavL-3vvlA:
45.0		 2vavL-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 TYR A 225
ARG A 234
HIS A 352
ASP A 353
PHE A 355
 None
 1.03A 2vavL-3vvlA:
45.0		 2vavL-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 TYR A 225
TYR A 260
HIS A 352
ASP A 353
PHE A 355
 None
 0.79A 2vavL-3vvlA:
45.0		 2vavL-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.
4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		5 THR A 318
PHE A 350
HIS A  38
PHE A  36
VAL A  92
 XYP  A1003 ( 4.9A)
XYP  A1004 (-4.8A)
None
None
None
 1.49A 2vavL-4c1tA:
0.0		 2vavL-4c1tA:
21.76
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 ARG A 227
TYR A 234
ARG A 243
TYR A 265
GLN A 269
HIS A 350
ASP A 351
PHE A 353
 None
 1.01A 2vavL-5w8oA:
45.5		 2vavL-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 THR A  61
ARG A 227
TYR A 234
ARG A 243
TYR A 265
GLN A 269
HIS A 350
PHE A 353
 None
 0.95A 2vavL-5w8oA:
45.5		 2vavL-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 THR A  64
ARG A 230
TYR A 237
ARG A 246
TYR A 272
GLN A 276
HIS A 357
 None
 0.98A 2vavL-5w8pA:
46.0		 2vavL-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 THR A  64
ARG A 230
TYR A 237
TYR A 272
GLN A 276
HIS A 357
PHE A 360
 None
 0.80A 2vavL-5w8pA:
46.0		 2vavL-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 TYR A 237
TYR A 272
GLN A 276
HIS A 357
ASP A 358
PHE A 360
 None
 0.79A 2vavL-5w8pA:
46.0		 2vavL-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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 THR A 182
LEU A 179
MET A 183
MET A 220
 None
 1.50A 2vavL-1x87A:
0.0		 2vavL-1x87A:
23.23
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.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		4 THR A 103
LEU A 102
MET A 106
MET A 129
 None
 1.35A 2vavL-2br4A:
1.9		 2vavL-2br4A:
20.22
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) 		4 THR A  58
LEU A  59
MET A 150
MET A 367
 COA  A1383 ( 4.1A)
None
None
COA  A1383 (-3.6A)
 0.13A 2vavL-2vatA:
58.3		 2vavL-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.
3ibr BACTERIOPHYTOCHROME

(Pseudomonas
aeruginosa) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 THR A 155
LEU A 151
MET A 154
MET A 279
 None
 1.27A 2vavL-3ibrA:
0.0		 2vavL-3ibrA:
23.78
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.
3jbl NLR FAMILY CARD
DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		no annotation 4 THR K 716
LEU K 717
MET K 714
MET K 793
 None
 0.74A 2vavL-3jblK:
1.6		 2vavL-3jblK:
18.11
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.
3rwk INULINASE

(Aspergillus
ficuum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 THR X 255
LEU X 268
MET X 254
MET X 319
 None
 1.47A 2vavL-3rwkX:
0.0		 2vavL-3rwkX:
22.50
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.
4gnx PUTATIVE
UNCHARACTERIZED
PROTEIN

(Ustilago maydis) 		PF01336
(tRNA_anti-codon)
PF08646
(Rep_fac-A_C)
PF16900
(REPA_OB_2) 		4 THR C 357
LEU C 356
MET C 395
MET C 448
 None
 1.26A 2vavL-4gnxC:
0.0		 2vavL-4gnxC:
23.53
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.
4q9d BENZOYLFORMATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 THR A 381
LEU A 385
MET A 382
MET A 355
 None
 1.42A 2vavL-4q9dA:
1.2		 2vavL-4q9dA:
22.58
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.
5myu TYPE VI SECRETION
SYSTEM PROTEIN IMPC

(Vibrio cholerae) 		PF05943
(VipB) 		4 THR A 348
LEU A 347
MET A 349
MET A 477
 None
 1.48A 2vavL-5myuA:
0.0		 2vavL-5myuA:
20.04
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.
6fkh ATP SYNTHASE GAMMA
CHAIN, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 4 THR g 321
LEU g 220
MET g 320
MET g 136
 None
 1.50A 2vavL-6fkhg:
0.0		 2vavL-6fkhg:
11.54