SIMILAR PATTERNS OF AMINO ACIDS FOR 4DX7_A_DM2A1106

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.
1erz N-CARBAMYL-D-AMINO
ACID AMIDOHYDROLASE

(Agrobacterium
sp. KNK712) 		PF00795
(CN_hydrolase) 		5 PHE A  81
PHE A  91
ASN A  92
LEU A  93
ALA A   7
 None
 1.44A 4dx7A-1erzA:
0.0		 4dx7A-1erzA:
14.86
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.
1kri VP4

(Rotavirus A) 		PF00426
(VP4_haemagglut) 		5 SER A 160
PHE A 205
LEU A 107
THR A 105
ALA A 104
 None
 1.44A 4dx7A-1kriA:
undetectable		 4dx7A-1kriA:
10.31
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.
2crn UBASH3A PROTEIN

(Homo sapiens) 		PF00627
(UBA) 		5 MET A  19
PHE A  21
LEU A  12
THR A  33
ALA A  32
 None
 1.30A 4dx7A-2crnA:
undetectable		 4dx7A-2crnA:
5.23
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.
2iph THIOL PROTEASE P3C

(Norwalk virus) 		PF05416
(Peptidase_C37) 		5 SER A1014
PHE A1012
PHE A1058
ALA A1052
GLN A1172
 None
 1.21A 4dx7A-2iphA:
undetectable		 4dx7A-2iphA:
12.23
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.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 MET A 574
PHE A 546
PHE A 575
LEU A 558
GLN A 526
 None
 1.36A 4dx7A-2o7qA:
0.1		 4dx7A-2o7qA:
19.35
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.
2q50 GLYOXYLATE
REDUCTASE/HYDROXYPYR
UVATE REDUCTASE

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 SER A 154
PHE A 175
LEU A 119
ALA A 215
ARG A 170
 None
 1.30A 4dx7A-2q50A:
0.0		 4dx7A-2q50A:
16.19
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.
2r26 CITRATE SYNTHASE

(Thermoplasma
acidophilum) 		PF00285
(Citrate_synt) 		5 PHE A 329
PHE A 165
ASN A 162
LEU A 161
THR A 170
 None
 1.39A 4dx7A-2r26A:
1.5		 4dx7A-2r26A:
17.71
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.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 SER A 495
PHE A 268
THR A 425
ALA A 426
GLN A 422
 None
 1.30A 4dx7A-3a24A:
undetectable		 4dx7A-3a24A:
19.79
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.
3aka PUTATIVE CALCIUM
BINDING PROTEIN

(Streptomyces
coelicolor) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		5 PHE A 103
PHE A 131
LEU A  37
THR A 124
ALA A 125
 None
 1.42A 4dx7A-3akaA:
0.0		 4dx7A-3akaA:
10.31
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.
3cr3 PTS-DEPENDENT
DIHYDROXYACETONE
KINASE, ADP-BINDING
SUBUNIT DHAL

(Lactococcus
lactis) 		PF02734
(Dak2) 		5 SER A  79
MET A  90
PHE A  64
THR A  48
ALA A  51
 ADP  A1211 (-2.8A)
None
None
None
None
 1.37A 4dx7A-3cr3A:
1.5		 4dx7A-3cr3A:
12.51
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.
3e2v 3'-5'-EXONUCLEASE

(Saccharomyces
cerevisiae) 		PF01026
(TatD_DNase) 		5 MET A 227
PHE A 234
PHE A 279
LEU A 274
GLN A 287
 None
 1.50A 4dx7A-3e2vA:
0.0		 4dx7A-3e2vA:
16.59
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.
3fha ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE

(Glutamicibacter
protophormiae) 		PF03644
(Glyco_hydro_85) 		5 PHE A 360
PHE A 450
PHE A 504
LEU A 433
ALA A 429
 None
 1.46A 4dx7A-3fhaA:
undetectable		 4dx7A-3fhaA:
20.37
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.
3j0c E1 ENVELOPE
GLYCOPROTEIN

(Venezuelan
equine
encephalitis
virus) 		PF01589
(Alpha_E1_glycop) 		5 PHE A 312
PHE A 356
LEU A 303
THR A 353
ALA A 352
 None
 1.40A 4dx7A-3j0cA:
undetectable		 4dx7A-3j0cA:
18.17
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.
3kie CAPSID PROTEIN VP1

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		5 PHE A 287
PHE A 306
ASN A 303
LEU A 299
GLN A 608
 None
 1.48A 4dx7A-3kieA:
undetectable		 4dx7A-3kieA:
20.69
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.
3mcp GLUCOKINASE

(Parabacteroides
distasonis) 		PF00480
(ROK) 		5 PHE A  73
PHE A  20
ASN A  50
LEU A  51
ALA A  57
 None
 1.45A 4dx7A-3mcpA:
1.1		 4dx7A-3mcpA:
15.11
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.
3n5l BINDING PROTEIN
COMPONENT OF ABC
PHOSPHONATE
TRANSPORTER

(Pseudomonas
aeruginosa) 		PF12974
(Phosphonate-bd) 		5 MET A  54
PHE A 248
PHE A  50
LEU A 262
THR A 107
 None
 1.35A 4dx7A-3n5lA:
1.8		 4dx7A-3n5lA:
14.65
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.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		5 SER A 785
PHE A 884
ASN A 861
LEU A 862
ALA A 830
 None
 1.20A 4dx7A-3ob8A:
undetectable		 4dx7A-3ob8A:
22.56
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.
3pxn KINESIN-LIKE PROTEIN
NOD

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		5 SER A 275
PHE A 141
LEU A 281
ALA A  85
ARG A 191
 None
 1.29A 4dx7A-3pxnA:
0.8		 4dx7A-3pxnA:
15.89
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.
3vcx GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE
DOMAIN

(Rhodopseudomonas
palustris) 		PF00903
(Glyoxalase) 		5 PHE A  28
PHE A  75
ASN A  74
LEU A  73
ARG A  86
 PG4  A 201 ( 4.6A)
PG4  A 201 (-4.2A)
None
None
PG4  A 201 (-3.5A)
 1.09A 4dx7A-3vcxA:
undetectable		 4dx7A-3vcxA:
9.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 SER A 134
MET A 575
PHE A 666
ASN A 667
ARG A 717
 None
 0.98A 4dx7A-3w9hA:
61.2		 4dx7A-3w9hA:
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.
4dll 2-HYDROXY-3-OXOPROPI
ONATE REDUCTASE

(Polaromonas sp.
JS666) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 PHE A  36
PHE A 183
LEU A 179
THR A 148
ALA A 166
 None
 1.36A 4dx7A-4dllA:
undetectable		 4dx7A-4dllA:
15.75
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.
4mhp GLUTAMINYL CYCLASE,
PUTATIVE

(Ixodes
scapularis) 		PF04389
(Peptidase_M28) 		5 SER A 145
PHE A 346
PHE A 343
ASN A 340
ALA A 156
 None
 1.43A 4dx7A-4mhpA:
undetectable		 4dx7A-4mhpA:
15.50
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.
4yyw FICIN ISOFORM D

(Ficus carica) 		PF00112
(Peptidase_C1) 		5 MET A 194
PHE A 152
ASN A 176
THR A 200
ALA A 201
 None
 1.38A 4dx7A-4yywA:
undetectable		 4dx7A-4yywA:
10.69
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.
5aov GLYOXYLATE REDUCTASE

(Pyrococcus
furiosus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 PHE A 172
PHE A 109
LEU A 112
ALA A 211
ARG A 167
 None
None
None
None
1PE  A1346 (-4.3A)
 1.32A 4dx7A-5aovA:
0.0		 4dx7A-5aovA:
15.85
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.
5cj0 XRCC4-MYH7-(1631-169
2) CHIMERA PROTEIN

(Homo sapiens) 		PF06632
(XRCC4) 		5 PHE A 111
PHE A  96
PHE A  97
LEU A  70
ALA A  78
 None
 1.38A 4dx7A-5cj0A:
undetectable		 4dx7A-5cj0A:
12.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 SER A 134
MET A 575
PHE A 617
ARG A 717
GLN A 830
 None
 0.87A 4dx7A-5enoA:
50.5		 4dx7A-5enoA:
73.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 SER A 134
MET A 575
PHE A 617
ASN A 667
ARG A 717
 None
 1.09A 4dx7A-5enoA:
50.5		 4dx7A-5enoA:
73.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 SER A 134
PHE A 617
PHE A 666
ARG A 717
GLN A 830
 None
 0.79A 4dx7A-5enoA:
50.5		 4dx7A-5enoA:
73.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 SER A 134
PHE A 617
PHE A 666
ASN A 667
ARG A 717
 None
 0.96A 4dx7A-5enoA:
50.5		 4dx7A-5enoA:
73.16
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.
5hzg F-BOX/LRR-REPEAT
MAX2 HOMOLOG
STRIGOLACTONE
ESTERASE D14

(Arabidopsis
thaliana;
Oryza sativa) 		PF12697
(Abhydrolase_6)
no annotation 		5 SER B 608
MET A 148
PHE A 180
PHE A 145
ALA A 170
 None
 1.38A 4dx7A-5hzgB:
undetectable		 4dx7A-5hzgB:
21.67
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.
5izk SELENOCYSTEINE-SPECI
FIC ELONGATION
FACTOR

(Homo sapiens) 		PF00009
(GTP_EFTU) 		5 SER A 431
PHE A 351
PHE A 350
LEU A 329
GLN A 409
 None
 1.49A 4dx7A-5izkA:
undetectable		 4dx7A-5izkA:
20.99
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.
5m0t ALPHA-KETOGLUTARATE-
DEPENDENT NON-HEME
IRON OXYGENASE EASH

(Aspergillus
japonicus) 		PF05721
(PhyH) 		5 PHE A 154
ASN A 153
LEU A 226
THR A 156
ALA A 157
 None
 1.29A 4dx7A-5m0tA:
undetectable		 4dx7A-5m0tA:
14.75
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.
5zb3 -

(-) 		no annotation 5 PHE A 256
PHE A 451
PHE A 450
THR A 314
GLN A 289
 None
 1.28A 4dx7A-5zb3A:
undetectable		 4dx7A-5zb3A:
undetectable
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.
6cmn TAR-BINDING PROTEIN
6.7

(Oryctolagus
cuniculus) 		no annotation 5 MET A  72
PHE A  34
PHE A  75
ASN A  16
LEU A  17
 None
 1.36A 4dx7A-6cmnA:
3.4		 4dx7A-6cmnA:
4.61