SIMILAR PATTERNS OF AMINO ACIDS FOR 2VAV_K_CSCK1385

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.
1kbl PYRUVATE PHOSPHATE
DIKINASE

([Clostridium]
symbiosum) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 THR A 562
LEU A 619
PHE A 602
VAL A 684
MET A 685
 None
 1.44A 2vavK-1kblA:
0.4		 2vavK-1kblA:
18.87
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.
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
 1.49A 2vavK-1v47A:
1.0		 2vavK-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) 		6 LEU A  49
THR A  50
ARG A 212
TYR A 219
TYR A 249
GLN A 253
 None
 1.00A 2vavK-2b61A:
42.8		 2vavK-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
TYR A 249
PHE A 340
 None
 0.91A 2vavK-2b61A:
42.8		 2vavK-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
PHE A 365
VAL A 366
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.90A 2vavK-2vatA:
57.7		 2vavK-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  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
PHE A 365
VAL A 366
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.73A 2vavK-2vatA:
57.7		 2vavK-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
PHE A 365
VAL A 366
MET A 367
 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)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.57A 2vavK-2vatA:
57.7		 2vavK-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) 		5 LEU A  53
ARG A 218
TYR A 225
ARG A 234
PHE A 355
 None
 0.81A 2vavK-3vvlA:
44.8		 2vavK-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
 0.69A 2vavK-3vvlA:
44.8		 2vavK-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.
5aoc ESTERASE

(Thermogutta
terrifontis) 		PF07859
(Abhydrolase_3) 		5 THR A 135
ARG A 107
PHE A  50
VAL A  48
MET A  78
 None
PG4  A1285 (-3.5A)
None
None
None
 1.23A 2vavK-5aocA:
15.5		 2vavK-5aocA:
20.09
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		5 LEU A 666
ARG A 660
GLN A 716
PHE A 641
VAL A 263
 None
 1.39A 2vavK-5jxkA:
0.0		 2vavK-5jxkA:
21.53
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		5 LEU A 696
ARG A 660
GLN A 716
PHE A 641
VAL A 263
 None
 1.40A 2vavK-5jxkA:
0.0		 2vavK-5jxkA:
21.53
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 2vavK-5w8oA:
45.3		 2vavK-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
 0.95A 2vavK-5w8pA:
45.7		 2vavK-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
 0.79A 2vavK-5w8pA:
45.7		 2vavK-5w8pA:
32.95