SIMILAR PATTERNS OF AMINO ACIDS FOR 2WV2_A_TPFA1_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.
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT

(Escherichia
coli) 		PF00701
(DHDPS) 		5 PHE A 100
TYR A  98
ALA A  78
THR A  14
LEU A  22
 None
 1.22A 2wv2A-1hl2A:
0.0		 2wv2A-1hl2A:
20.29
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.
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT

(Escherichia
coli) 		PF00701
(DHDPS) 		5 PHE A 100
TYR A  98
ALA A  78
THR A  14
LEU A  27
 None
 1.22A 2wv2A-1hl2A:
0.0		 2wv2A-1hl2A:
20.29
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.
2yt4 PROTEIN DGCR8

(Homo sapiens) 		PF00035
(dsrm) 		5 PHE A 532
ALA A 544
ALA A 568
THR A 572
LEU A 516
 None
 1.49A 2wv2A-2yt4A:
undetectable		 2wv2A-2yt4A:
21.46
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.
2yyl 4-HYDROXYPHENYLACETA
TE-3-HYDROXYLASE

(Thermus
thermophilus) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		5 TYR A 369
TYR A 365
ALA A 294
ALA A 298
LEU A 376
 None
 1.46A 2wv2A-2yylA:
0.0		 2wv2A-2yylA:
21.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		6 MET A 106
PHE A 110
ALA A 287
ALA A 291
THR A 295
LEU A 356
 VNF  A 490 ( 3.8A)
None
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
 1.10A 2wv2A-3kswA:
45.9		 2wv2A-3kswA:
82.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 PHE A 110
ALA A 291
THR A 295
LEU A 356
MET A 460
 None
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
None
 0.93A 2wv2A-3kswA:
45.9		 2wv2A-3kswA:
82.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
 None
VNF  A 490 (-4.6A)
VNF  A 490 ( 3.9A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
 0.57A 2wv2A-3kswA:
45.9		 2wv2A-3kswA:
82.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		5 PHE A 110
TYR A 116
ALA A 291
THR A 295
MET A 460
 None
VNF  A 490 (-4.6A)
VNF  A 490 ( 4.0A)
VNF  A 490 ( 4.0A)
None
 0.88A 2wv2A-3kswA:
45.9		 2wv2A-3kswA:
82.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		8 TYR A 102
MET A 105
PHE A 109
ALA A 286
ALA A 290
THR A 294
LEU A 355
MET A 459
 HEM  A 481 (-4.7A)
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
TPF  A 490 (-4.7A)
 0.80A 2wv2A-3l4dA:
57.8		 2wv2A-3l4dA:
76.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		7 TYR A 102
PHE A 109
TYR A 115
ALA A 286
ALA A 290
THR A 294
LEU A 355
 HEM  A 481 (-4.7A)
TPF  A 490 (-4.5A)
HEM  A 481 ( 4.9A)
TPF  A 490 (-3.4A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
TPF  A 490 (-4.4A)
 0.62A 2wv2A-3l4dA:
57.8		 2wv2A-3l4dA:
76.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		5 TYR A 115
MET A 105
PHE A 109
ALA A 290
THR A 294
 HEM  A 481 ( 4.9A)
TPF  A 490 ( 4.0A)
TPF  A 490 (-4.5A)
TPF  A 490 ( 3.4A)
TPF  A 490 ( 3.5A)
 1.24A 2wv2A-3l4dA:
57.8		 2wv2A-3l4dA:
76.39
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.
3n9i TRYPTOPHANYL-TRNA
SYNTHETASE

(Yersinia pestis) 		PF00579
(tRNA-synt_1b) 		5 PHE A  92
ALA A 325
ALA A 329
THR A 332
LEU A 103
 None
 1.38A 2wv2A-3n9iA:
0.0		 2wv2A-3n9iA:
20.73
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 199
ALA A 233
ALA A 237
THR A 269
LEU A 245
 None
 1.47A 2wv2A-3t6cA:
0.0		 2wv2A-3t6cA:
22.07
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.
4cgr PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 TYR A  84
ALA A  38
ALA A  41
THR A  53
LEU A  50
 None
 1.26A 2wv2A-4cgrA:
0.8		 2wv2A-4cgrA:
18.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		9 TYR A 103
MET A 106
PHE A 110
TYR A 116
ALA A 287
ALA A 291
THR A 295
LEU A 356
MET A 460
 VNT  A 502 ( 4.8A)
VNT  A 502 ( 3.9A)
VNT  A 502 (-4.4A)
HEM  A 501 ( 4.5A)
VNT  A 502 ( 3.9A)
HEM  A 501 ( 3.5A)
VNT  A 502 ( 3.2A)
VNT  A 502 ( 4.5A)
VNT  A 502 (-4.9A)
 0.64A 2wv2A-4g3jA:
59.3		 2wv2A-4g3jA:
96.54
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.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Enterococcus
gallinarum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 181
ALA A 215
ALA A 219
THR A 251
LEU A 227
 None
 1.43A 2wv2A-4hnlA:
undetectable		 2wv2A-4hnlA:
20.67
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.
4xdi CHLAMYDOMONAS
REINHARDTII THB1

(Chlamydomonas
reinhardtii) 		PF01152
(Bac_globin) 		5 TYR A  12
ALA A  20
ALA A  24
THR A 101
LEU A  98
 None
 1.43A 2wv2A-4xdiA:
undetectable		 2wv2A-4xdiA:
14.16
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.
5zvt CORE PROTEIN VP6

(Aquareovirus C) 		no annotation 5 TYR U 359
TYR U 362
ALA U 237
ALA U 246
LEU U 219
 None
 1.50A 2wv2A-5zvtU:
undetectable		 2wv2A-5zvtU:
14.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 5 PHE A 114
TYR A 120
ALA A 289
ALA A 293
THR A 297
 TPF  A 506 (-4.4A)
None
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
 0.93A 2wv2A-6ay4A:
45.2		 2wv2A-6ay4A:
36.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6ay4 CYP51, STEROL
14ALPHA-DEMETHYLASE

(Naegleria
fowleri) 		no annotation 7 TYR A 120
MET A 110
PHE A 114
ALA A 289
ALA A 293
THR A 297
LEU A 358
 None
TPF  A 506 (-4.6A)
TPF  A 506 (-4.4A)
TPF  A 506 (-3.5A)
TPF  A 506 ( 3.2A)
HEM  A 501 (-3.4A)
TPF  A 506 ( 4.4A)
 1.16A 2wv2A-6ay4A:
45.2		 2wv2A-6ay4A:
36.16