SIMILAR PATTERNS OF AMINO ACIDS FOR 2VAV_I_CSCI1383_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.
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
 1.43A 2vavI-1gq7A:
3.2		 2vavI-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 ARG A 212
TYR A 219
HIS A 337
ASP A 338
PHE A 340
 None
 0.83A 2vavI-2b61A:
43.2		 2vavI-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
GLN A 253
 None
 0.98A 2vavI-2b61A:
43.2		 2vavI-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 2vavI-2b61A:
43.2		 2vavI-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.
2c3o PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Desulfovibrio
africanus) 		PF01558
(POR)
PF01855
(POR_N)
PF02775
(TPP_enzyme_C)
PF10371
(EKR)
PF13484
(Fer4_16)
PF17147
(PFOR_II) 		5 LEU A 340
TYR A 131
GLN A 135
HIS A 127
PHE A 170
 None
 1.28A 2vavI-2c3oA:
0.7		 2vavI-2c3oA:
15.97
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)
 0.81A 2vavI-2vatA:
59.2		 2vavI-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
GLN A 281
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 (-4.0A)
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
None
COA  A1383 (-3.6A)
 0.59A 2vavI-2vatA:
59.2		 2vavI-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)
 1.39A 2vavI-2vatA:
59.2		 2vavI-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
 1.36A 2vavI-3jbrF:
1.5		 2vavI-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.
3o60 LIN0861 PROTEIN

(Listeria
innocua) 		no annotation 5 THR A  20
THR A  22
ARG A  74
GLN A  77
HIS A  61
 None
 1.28A 2vavI-3o60A:
undetectable		 2vavI-3o60A:
17.87
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.
3tc1 OCTAPRENYL
PYROPHOSPHATE
SYNTHASE

(Helicobacter
pylori) 		PF00348
(polyprenyl_synt) 		5 LEU A 231
THR A 272
LYS A 224
GLN A 197
ASP A 219
 None
None
None
None
MG  A 500 ( 4.0A)
 1.40A 2vavI-3tc1A:
0.0		 2vavI-3tc1A:
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) 		6 LEU A  53
ARG A 218
TYR A 225
ARG A 234
HIS A 352
PHE A 355
 None
 0.72A 2vavI-3vvlA:
45.3		 2vavI-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) 		6 LEU A  53
TYR A 225
ARG A 234
HIS A 352
ASP A 353
PHE A 355
 None
 0.96A 2vavI-3vvlA:
45.3		 2vavI-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.
4qn3 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 274
TYR A 200
GLN A 145
HIS A 202
MET A 226
 None
 1.36A 2vavI-4qn3A:
undetectable		 2vavI-4qn3A:
20.73
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
GLN A 269
HIS A 350
ASP A 351
PHE A 353
 None
 0.99A 2vavI-5w8oA:
45.6		 2vavI-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
GLN A 269
HIS A 350
PHE A 353
 None
 0.90A 2vavI-5w8oA:
45.6		 2vavI-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
GLN A 276
HIS A 357
 None
 0.88A 2vavI-5w8pA:
46.1		 2vavI-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
GLN A 276
HIS A 357
PHE A 360
 None
 0.72A 2vavI-5w8pA:
46.1		 2vavI-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
GLN A 276
HIS A 357
ASP A 358
PHE A 360
 None
 0.77A 2vavI-5w8pA:
46.1		 2vavI-5w8pA:
32.95