SIMILAR PATTERNS OF AMINO ACIDS FOR 3AQI_A_CHDA1

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.
1elj MALTODEXTRIN-BINDING
PROTEIN

(Pyrococcus
furiosus) 		PF13416
(SBP_bac_8) 		5 LEU A 247
MET A 137
ILE A 163
PRO A 223
VAL A 127
 None
 1.45A 3aqiA-1eljA:
undetectable		 3aqiA-1eljA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lbq FERROCHELATASE

(Saccharomyces
cerevisiae) 		PF00762
(Ferrochelatase) 		6 ILE A 313
SER A 169
PRO A 238
VAL A 241
VAL A 277
TRP A 282
 None
 1.35A 3aqiA-1lbqA:
48.4		 3aqiA-1lbqA:
49.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lbq FERROCHELATASE

(Saccharomyces
cerevisiae) 		PF00762
(Ferrochelatase) 		9 LEU A  62
PHE A  63
ILE A  91
SER A 169
HIS A 235
PRO A 238
VAL A 241
VAL A 277
TRP A 282
 None
 0.40A 3aqiA-1lbqA:
48.4		 3aqiA-1lbqA:
49.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lbq FERROCHELATASE

(Saccharomyces
cerevisiae) 		PF00762
(Ferrochelatase) 		6 MET A  46
SER A 169
HIS A 235
PRO A 238
VAL A 241
TRP A 282
 None
 0.99A 3aqiA-1lbqA:
48.4		 3aqiA-1lbqA:
49.33
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.
1oed ACETYLCHOLINE
RECEPTOR PROTEIN,
ALPHA CHAIN

(Torpedo
marmorata) 		PF02932
(Neur_chan_memb) 		5 LEU A 253
PHE A 225
ILE A 289
PRO A 236
VAL A 295
 None
 1.42A 3aqiA-1oedA:
undetectable		 3aqiA-1oedA:
21.08
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.
1qi7 PROTEIN
(N-GLYCOSIDASE)

(Saponaria
officinalis) 		PF00161
(RIP) 		5 LEU A  64
PHE A  55
ILE A 169
VAL A  27
VAL A 177
 None
 1.13A 3aqiA-1qi7A:
undetectable		 3aqiA-1qi7A:
21.39
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.
2bg9 ACETYLCHOLINE
RECEPTOR PROTEIN,
ALPHA CHAIN

(Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 LEU A 253
PHE A 225
ILE A 289
PRO A 236
VAL A 295
 None
 1.29A 3aqiA-2bg9A:
undetectable		 3aqiA-2bg9A:
20.70
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.
2fej CELLULAR TUMOR
ANTIGEN P53

(Homo sapiens) 		PF00870
(P53) 		5 PHE A 270
ILE A 195
PRO A 278
VAL A 122
VAL A 274
 None
 1.35A 3aqiA-2fejA:
undetectable		 3aqiA-2fejA:
18.56
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.
2hmi FAB FRAGMENT OF
MONOCLONAL ANTIBODY
28

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU D  69
MET D  85
ILE D  53
PRO D   9
VAL D  12
 None
 1.24A 3aqiA-2hmiD:
undetectable		 3aqiA-2hmiD:
20.39
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.
2pw9 PUTATIVE FORMATE
DEHYDROGENASE
ACCESSORY PROTEIN

(Desulfotalea
psychrophila) 		PF02634
(FdhD-NarQ) 		5 LEU A 164
PHE A 136
SER A 144
VAL A 153
VAL A 180
 None
 1.32A 3aqiA-2pw9A:
undetectable		 3aqiA-2pw9A:
23.12
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 LEU A 470
ILE A 354
SER A 528
PRO A 592
VAL A 425
 None
 1.40A 3aqiA-2zxqA:
0.2		 3aqiA-2zxqA:
13.83
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 5 PHE A 362
MET A 390
SER A 504
PRO A 396
TRP A 397
 None
 1.49A 3aqiA-3ahmA:
0.0		 3aqiA-3ahmA:
18.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		5 ILE A 342
PRO A 266
VAL A 269
VAL A 305
TRP A 310
 None
CHD  A   2 ( 4.5A)
None
CHD  A   1 ( 4.9A)
CHD  A   2 (-4.7A)
 1.17A 3aqiA-3aqiA:
63.2		 3aqiA-3aqiA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		11 MET A  76
LEU A  92
PHE A  93
MET A  99
ILE A 119
SER A 197
HIS A 263
PRO A 266
VAL A 269
VAL A 305
TRP A 310
 CHD  A   1 ( 3.8A)
CHD  A   1 (-4.8A)
CHD  A   1 ( 4.7A)
CHD  A   2 (-4.0A)
None
CHD  A   1 (-3.0A)
CHD  A   1 (-4.3A)
CHD  A   2 ( 4.5A)
None
CHD  A   1 ( 4.9A)
CHD  A   2 (-4.7A)
 0.49A 3aqiA-3aqiA:
63.2		 3aqiA-3aqiA:
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.
3bit FACT COMPLEX SUBUNIT
SPT16

(Saccharomyces
cerevisiae) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 LEU A  32
PHE A  34
ILE A  15
SER A  28
VAL A 172
 None
 1.34A 3aqiA-3bitA:
2.5		 3aqiA-3bitA:
22.53
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.
3gg9 D-3-PHOSPHOGLYCERATE
DEHYDROGENASE
OXIDOREDUCTASE
PROTEIN

(Ralstonia
solanacearum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 221
PHE A 222
ILE A 241
HIS A 231
VAL A 128
 None
 1.30A 3aqiA-3gg9A:
3.6		 3aqiA-3gg9A:
21.71
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.
3h77 PQS BIOSYNTHETIC
ENZYME

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 MET A 225
LEU A 193
PHE A 218
HIS A 257
VAL A 282
 COW  A 350 (-3.7A)
CSJ  A 112 (-4.5A)
CSJ  A 112 ( 4.0A)
COW  A 350 (-4.2A)
None
 1.38A 3aqiA-3h77A:
undetectable		 3aqiA-3h77A:
23.51
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.
3h9m P-AMINOBENZOATE
SYNTHETASE,
COMPONENT I

(Cytophaga
hutchinsonii) 		PF00425
(Chorismate_bind) 		5 PHE A  46
ILE A 224
VAL A 329
VAL A  84
TRP A  70
 None
 1.45A 3aqiA-3h9mA:
undetectable		 3aqiA-3h9mA:
19.60
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.
3j8g GTPASE DER

(Escherichia
coli) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		5 ILE X 143
PRO X   3
VAL X   2
VAL X 158
TRP X 162
 None
 1.40A 3aqiA-3j8gX:
4.0		 3aqiA-3j8gX:
20.96
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.
3j8g GTPASE DER

(Escherichia
coli) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		5 LEU X   7
ILE X 143
PRO X   3
VAL X 158
TRP X 162
 None
 1.29A 3aqiA-3j8gX:
4.0		 3aqiA-3j8gX:
20.96
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.
3kal HOMOGLUTATHIONE
SYNTHETASE

(Glycine max) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 MET A 138
ILE A 276
SER A 327
PRO A 324
VAL A 292
 None
 1.33A 3aqiA-3kalA:
undetectable		 3aqiA-3kalA:
22.40
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.
3q41 GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
ZETA-1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 LEU A  33
PHE A  42
ILE A  90
VAL A 334
VAL A 288
 None
 1.42A 3aqiA-3q41A:
3.9		 3aqiA-3q41A:
21.78
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.
3qpf PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF06824
(Glyco_hydro_125) 		5 LEU A 306
MET A 231
ILE A 297
VAL A 133
VAL A 289
 None
 1.48A 3aqiA-3qpfA:
undetectable		 3aqiA-3qpfA:
20.18
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.
3v4o MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 LEU A 515
PHE A 511
ILE A 550
VAL A 380
VAL A 458
 None
 1.21A 3aqiA-3v4oA:
2.2		 3aqiA-3v4oA:
19.07
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.
4boo ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA

(Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 LEU A 253
PHE A 225
ILE A 289
PRO A 236
VAL A 295
 None
 1.28A 3aqiA-4booA:
undetectable		 3aqiA-4booA:
20.63
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.
4hq1 PROBABLE RECEPTOR
PROTEIN KINASE TMK1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 LEU A 180
SER A 155
VAL A 130
VAL A 172
TRP A 150
 None
 1.45A 3aqiA-4hq1A:
undetectable		 3aqiA-4hq1A:
21.62
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.
4i1p MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 LEU A 515
PHE A 511
ILE A 550
VAL A 380
VAL A 458
 None
 1.23A 3aqiA-4i1pA:
2.4		 3aqiA-4i1pA:
22.17
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.
4i9y E3 SUMO-PROTEIN
LIGASE RANBP2

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 MET A 100
PHE A   8
MET A  22
ILE A  67
PRO A   4
 None
 1.47A 3aqiA-4i9yA:
undetectable		 3aqiA-4i9yA:
17.75
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.
4j5t MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Saccharomyces
cerevisiae) 		PF03200
(Glyco_hydro_63)
PF16923
(Glyco_hydro_63N) 		5 MET A   1
LEU A 497
PHE A 409
ILE A 511
VAL A 602
 None
 1.48A 3aqiA-4j5tA:
undetectable		 3aqiA-4j5tA:
19.68
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.
4ml9 UNCHARACTERIZED
PROTEIN

(Sebaldella
termitidis) 		PF00977
(His_biosynth) 		5 LEU A 120
PHE A 125
HIS A  57
PRO A  55
VAL A  90
 None
 1.44A 3aqiA-4ml9A:
4.3		 3aqiA-4ml9A:
22.73
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.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A  62
PHE A  11
SER A 124
HIS A  66
VAL A 343
 None
None
None
ZN  A 401 ( 3.1A)
None
 1.25A 3aqiA-4w6zA:
2.8		 3aqiA-4w6zA:
22.30
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.
4wmj GLUCOSE-6-PHOSPHATE
ISOMERASE

(Colias
eurytheme) 		PF00342
(PGI) 		5 LEU A 348
PHE A 351
MET A 170
ILE A 480
TRP A 280
 None
 1.43A 3aqiA-4wmjA:
2.5		 3aqiA-4wmjA:
22.92
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.
5b3j NMDA GLUTAMATE
RECEPTOR SUBUNIT

(Xenopus laevis) 		PF01094
(ANF_receptor) 		5 LEU A  33
PHE A  42
ILE A  90
VAL A 355
VAL A 309
 None
 1.37A 3aqiA-5b3jA:
4.2		 3aqiA-5b3jA:
22.17
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.
5j6o PUTATIVE POLYKETIDE
SYNTHASE

(Brevibacillus
brevis) 		PF14765
(PS-DH) 		5 MET A2132
SER A2139
PRO A2163
VAL A2000
TRP A2002
 None
 1.32A 3aqiA-5j6oA:
undetectable		 3aqiA-5j6oA:
21.72
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.
5ol0 PUTATIVE SILENT
INFORMATION
REGULATOR 2,PUTATIVE
SILENT INFORMATION
REGULATOR 2

(Leishmania
infantum) 		no annotation 5 LEU A  95
PHE A 147
ILE A  89
SER A  43
VAL A  38
 None
 1.21A 3aqiA-5ol0A:
undetectable		 3aqiA-5ol0A:
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.
5vj1 MDCA

(Pseudomonas
aeruginosa) 		PF16957
(Mal_decarbox_Al) 		5 MET A 420
ILE A 233
HIS A 259
VAL A 254
TRP A 289
 None
 1.49A 3aqiA-5vj1A:
undetectable		 3aqiA-5vj1A:
23.05
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 335
PHE A 331
MET A 474
ILE A 526
VAL A 297
 None
 1.46A 3aqiA-5vncA:
3.4		 3aqiA-5vncA:
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.
5wid -

(-) 		no annotation 5 MET A 109
LEU A  74
PHE A  69
ILE A   4
PRO A  97
 None
 1.38A 3aqiA-5widA:
4.7		 3aqiA-5widA:
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.
6cza -

(-) 		no annotation 5 LEU A 668
MET A 199
ILE A 683
SER A 388
HIS A 703
 None
 1.18A 3aqiA-6czaA:
undetectable		 3aqiA-6czaA:
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.
6g43 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 5 LEU A  94
PHE A 196
ILE A  92
SER A 102
VAL A 255
 None
 1.39A 3aqiA-6g43A:
undetectable		 3aqiA-6g43A:
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.
6g45 PUTATIVE MAJOR
CAPSID PROTEIN

(Cafeteriavirus-dependent
mavirus) 		no annotation 5 LEU A  94
PHE A 196
ILE A  92
SER A 102
VAL A 255
 None
 1.41A 3aqiA-6g45A:
undetectable		 3aqiA-6g45A:
undetectable