SIMILAR PATTERNS OF AMINO ACIDS FOR 1VAO_A_ACTA601

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.
1gnw GLUTATHIONE
S-TRANSFERASE

(Arabidopsis
thaliana) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 TYR A  78
ILE A   3
TYR A  73
ARG A  77
 None
 1.25A 1vaoA-1gnwA:
1.6		 1vaoA-1gnwA:
17.00
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 TYR A  65
PHE A 381
ILE A 378
TYR A  18
 None
 1.45A 1vaoA-1kclA:
0.0		 1vaoA-1kclA:
20.82
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.
1oh3 NON-CATALYTIC
PROTEIN 1

(Piromyces equi) 		no annotation 4 PHE A 110
ILE A 113
TYR A  21
ARG A  53
 None
 1.09A 1vaoA-1oh3A:
0.0		 1vaoA-1oh3A:
14.18
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.
1vbf 231AA LONG
HYPOTHETICAL
PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01135
(PCMT) 		4 PHE A  20
ILE A  60
TYR A  84
ARG A  25
 None
 1.21A 1vaoA-1vbfA:
0.0		 1vaoA-1vbfA:
17.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 TYR A 108
PHE A 424
ILE A 468
TYR A 503
ARG A 504
 EUG  A1562 (-4.5A)
EUG  A1562 ( 3.7A)
EUG  A1562 (-4.0A)
EUG  A1562 (-4.9A)
FAD  A1561 ( 3.4A)
 0.24A 1vaoA-1w1kA:
61.7		 1vaoA-1w1kA:
99.82
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.
2o8e DNA MISMATCH REPAIR
PROTEIN MSH6

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		4 TYR B 556
PHE B 582
ILE B 608
ARG B 554
 None
 1.49A 1vaoA-2o8eB:
0.0		 1vaoA-2o8eB:
20.17
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 TYR A 127
PHE A  79
ILE A  76
TYR A  69
 None
 1.48A 1vaoA-2wzsA:
0.0		 1vaoA-2wzsA:
22.37
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.
2yxd PROBABLE
COBALT-PRECORRIN-6Y
C(15)-METHYLTRANSFER
ASE
[DECARBOXYLATING]

(Methanocaldococcus
jannaschii) 		PF13847
(Methyltransf_31) 		4 TYR A 149
PHE A 144
ILE A 116
ARG A 183
 None
 1.50A 1vaoA-2yxdA:
0.0		 1vaoA-2yxdA:
17.00
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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE

(Bifidobacterium
breve) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 TYR A 755
PHE A 780
ILE A 795
ARG A 754
 EDO  A 836 ( 4.7A)
EDO  A 836 ( 3.9A)
None
None
 1.47A 1vaoA-3ahiA:
1.0		 1vaoA-3ahiA:
21.84
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.
3etc AMP-BINDING PROTEIN

(Methanosarcina
acetivorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 TYR A 277
PHE A 280
ILE A 303
TYR A 247
 EPE  A 996 (-3.5A)
None
None
EPE  A 996 (-4.4A)
 1.42A 1vaoA-3etcA:
3.6		 1vaoA-3etcA:
21.19
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.
3f40 UNCHARACTERIZED
NTF2-LIKE PROTEIN

(Cytophaga
hutchinsonii) 		PF12680
(SnoaL_2) 		4 TYR A  91
PHE A  14
ILE A  15
TYR A  76
 None
 1.35A 1vaoA-3f40A:
undetectable		 1vaoA-3f40A:
9.52
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.
3n4t APH(2'')-ID

(Enterococcus
casseliflavus) 		PF01636
(APH) 		4 TYR A   4
PHE A  47
TYR A  88
ARG A   2
 None
 1.31A 1vaoA-3n4tA:
undetectable		 1vaoA-3n4tA:
20.60
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		4 TYR A 254
PHE A 251
TYR A 126
ARG A 125
 None
 1.49A 1vaoA-3nztA:
undetectable		 1vaoA-3nztA:
22.11
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.
3vnx FERRITIN

(Ulva pertusa) 		PF00210
(Ferritin) 		4 TYR A  36
ILE A  44
TYR A  96
ARG A 100
 None
 1.29A 1vaoA-3vnxA:
1.3		 1vaoA-3vnxA:
17.79
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.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC

(Escherichia
coli) 		PF01520
(Amidase_3)
PF11741
(AMIN) 		4 PHE A 243
ILE A 244
TYR A  47
ARG A  49
 None
 1.31A 1vaoA-4binA:
0.3		 1vaoA-4binA:
21.02
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.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 PHE A 348
ILE A 350
TYR A 294
ARG A 321
 None
 1.37A 1vaoA-4ihcA:
undetectable		 1vaoA-4ihcA:
22.16
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.
4lqx TENA/THI-4
DOMAIN-CONTAINING
PROTEIN

(Sulfolobus
solfataricus) 		PF03070
(TENA_THI-4)
PF16293
(zf-C2H2_9) 		4 TYR A 282
PHE A 107
TYR A 100
ARG A 286
 None
UNL  A 402 ( 4.2A)
UNL  A 402 ( 4.5A)
UNL  A 402 ( 3.1A)
 1.30A 1vaoA-4lqxA:
0.7		 1vaoA-4lqxA:
20.25
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.
4qan HYPOTHETICAL PROTEIN

([Ruminococcus]
gnavus) 		no annotation 4 TYR A 370
PHE A 258
ILE A 259
TYR A 359
 None
 1.29A 1vaoA-4qanA:
undetectable		 1vaoA-4qanA:
21.65
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.
4uu9 MEDI7814
MEDI7814

(Homo sapiens;
Homo sapiens) 		PF07686
(V-set)
PF07686
(V-set) 		4 TYR B  36
PHE B  98
ILE B  96
TYR A 100
 None
 1.34A 1vaoA-4uu9B:
undetectable		 1vaoA-4uu9B:
11.02
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		4 TYR A1172
PHE A1175
ILE A1158
TYR A1196
 None
 1.47A 1vaoA-5a31A:
undetectable		 1vaoA-5a31A:
17.96
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.
5e4i CONTACTIN-5

(Mus musculus) 		PF07679
(I-set)
PF13927
(Ig_3) 		4 TYR A 170
PHE A 156
ILE A 158
ARG A 136
 None
None
None
NAG  A 501 (-3.8A)
 1.26A 1vaoA-5e4iA:
undetectable		 1vaoA-5e4iA:
21.73
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.
5has SEC7

(Thielavia
terrestris) 		PF12783
(Sec7_N)
PF16213
(DCB) 		4 TYR A 310
PHE A 256
TYR A 383
ARG A 314
 None
 1.25A 1vaoA-5hasA:
0.4		 1vaoA-5hasA:
21.90
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.
5odv COAT PROTEIN

(Watermelon
mosaic virus) 		PF00767
(Poty_coat) 		4 TYR A 195
ILE A 135
TYR A 185
ARG A 189
 None
 1.08A 1vaoA-5odvA:
undetectable		 1vaoA-5odvA:
18.74