SIMILAR PATTERNS OF AMINO ACIDS FOR 2VAV_H_CSCH1383

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.
1gr0 INOSITOL-3-PHOSPHATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF01658
(Inos-1-P_synth) 		5 LEU A  30
ARG A 358
TYR A 343
PHE A  64
VAL A  46
 None
 1.44A 2vavH-1gr0A:
3.2		 2vavH-1gr0A:
22.25
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.
1pff METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 THR A 193
LEU A 192
HIS A 205
ASP A 184
VAL A 183
 None
None
None
EDO  A1020 (-3.5A)
None
 0.93A 2vavH-1pffA:
1.1		 2vavH-1pffA:
21.35
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
 1.13A 2vavH-1t47A:
undetectable		 2vavH-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 LEU A  49
THR A  50
ARG A 212
TYR A 219
HIS A 337
 None
 0.61A 2vavH-2b61A:
43.3		 2vavH-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
HIS A 337
 None
 0.75A 2vavH-2b61A:
43.3		 2vavH-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
 0.99A 2vavH-2b61A:
43.3		 2vavH-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.
2i6l MITOGEN-ACTIVATED
PROTEIN KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 297
ARG A 304
PHE A 232
ASP A 255
VAL A 251
 None
 1.42A 2vavH-2i6lA:
1.6		 2vavH-2i6lA:
20.77
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
VAL A 366
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
COA  A1383 ( 4.9A)
 1.14A 2vavH-2vatA:
58.8		 2vavH-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 LEU A  59
THR A  60
PHE A 186
HIS A 362
VAL A 366
 None
COA  A1383 ( 4.9A)
None
COA  A1383 ( 4.6A)
COA  A1383 ( 4.9A)
 1.40A 2vavH-2vatA:
58.8		 2vavH-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
PHE A 301
HIS A 362
ASP A 363
VAL A 366
 COA  A1383 ( 4.1A)
None
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)
COA  A1383 ( 4.9A)
 0.81A 2vavH-2vatA:
58.8		 2vavH-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
PHE A 301
HIS A 362
ASP A 363
VAL A 366
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
None
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
COA  A1383 ( 4.9A)
 0.48A 2vavH-2vatA:
58.8		 2vavH-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)
 1.44A 2vavH-2vatA:
58.8		 2vavH-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.
3kjx TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Ruegeria
pomeroyi) 		PF00356
(LacI)
PF00532
(Peripla_BP_1) 		5 THR A 337
LEU A 338
ARG A 300
PHE A 248
ASP A 254
 None
 1.03A 2vavH-3kjxA:
2.8		 2vavH-3kjxA:
20.95
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
HIS A 352
 None
 0.77A 2vavH-3vvlA:
45.5		 2vavH-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
HIS A 352
 None
 0.65A 2vavH-3vvlA:
45.5		 2vavH-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
HIS A 352
ASP A 353
 None
 1.01A 2vavH-3vvlA:
45.5		 2vavH-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
HIS A 352
ASP A 353
 None
 0.76A 2vavH-3vvlA:
45.5		 2vavH-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.
5tvt MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE

(Homo sapiens) 		no annotation 5 THR A 316
LEU A 319
THR A  33
TYR A  11
HIS A  74
 None
 1.48A 2vavH-5tvtA:
0.0		 2vavH-5tvtA:
20.00
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
TYR A 265
HIS A 350
ASP A 351
 None
 0.93A 2vavH-5w8oA:
45.7		 2vavH-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
TYR A 265
HIS A 350
 None
 0.81A 2vavH-5w8oA:
45.7		 2vavH-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
HIS A 357
 None
 0.86A 2vavH-5w8pA:
46.2		 2vavH-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.
5xao UNCHARACTERIZED
PROTEIN

(Parastagonospora
nodorum) 		PF01266
(DAO) 		5 LEU A 378
THR A  18
PHE A  85
HIS A  26
VAL A 385
 None
FAD  A 501 (-3.3A)
None
None
None
 1.39A 2vavH-5xaoA:
undetectable		 2vavH-5xaoA:
23.26