SIMILAR PATTERNS OF AMINO ACIDS FOR 1EQU_A_EQIA329

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		7 SER A 142
TYR A 155
GLY A 186
PRO A 187
TYR A 218
HIS A 221
GLU A 282
 EST  A 350 (-3.0A)
EST  A 350 (-4.2A)
EST  A 350 (-4.1A)
EST  A 350 (-4.1A)
None
None
EST  A 350 ( 4.6A)
 0.79A 1equA-1a27A:
44.1		 1equA-1a27A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1a27 17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		8 SER A 142
VAL A 143
LEU A 149
TYR A 155
GLY A 186
PRO A 187
TYR A 218
HIS A 221
 EST  A 350 (-3.0A)
EST  A 350 (-4.5A)
EST  A 350 (-4.4A)
EST  A 350 (-4.2A)
EST  A 350 (-4.1A)
EST  A 350 (-4.1A)
None
None
 0.46A 1equA-1a27A:
44.1		 1equA-1a27A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1fdw 17-BETA-HYDROXYSTERO
ID DEHYDROGENASE

(Homo sapiens) 		PF00106
(adh_short) 		7 SER A 142
VAL A 143
LEU A 149
TYR A 155
GLY A 186
PRO A 187
TYR A 218
 EST  A 350 (-4.3A)
EST  A 350 (-4.8A)
EST  A 350 (-4.6A)
None
EST  A 350 (-4.0A)
EST  A 350 (-4.3A)
None
 0.58A 1equA-1fdwA:
41.3		 1equA-1fdwA:
99.39
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.
1n1q DPS PROTEIN

(Brevibacillus
brevis) 		PF00210
(Ferritin) 		5 SER A  99
VAL A 100
LEU A  27
HIS A  56
GLU A  52
 None
 1.12A 1equA-1n1qA:
undetectable		 1equA-1n1qA:
18.29
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE I-BETA

(Paracoccus
denitrificans) 		PF00115
(COX1) 		5 VAL A 165
TYR A 267
GLY A 163
HIS A 403
ARG A 474
 None
None
HEA  A 601 (-3.6A)
MN  B 302 ( 3.2A)
HEA  A 601 ( 3.0A)
 1.33A 1equA-1qleA:
undetectable		 1equA-1qleA:
21.94
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.
1wxx HYPOTHETICAL PROTEIN
TTHA1280

(Thermus
thermophilus) 		PF10672
(Methyltrans_SAM) 		5 LEU A  55
GLY A 107
PRO A 106
HIS A  17
GLU A 370
 None
 1.12A 1equA-1wxxA:
7.1		 1equA-1wxxA:
25.48
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.
2bd0 SEPIAPTERIN
REDUCTASE

(Chlorobaculum
tepidum) 		PF00106
(adh_short) 		5 SER A 145
VAL A 146
TYR A 158
GLY A 189
ARG A 235
 NAP  A 800 (-3.4A)
None
None
NAP  A 800 (-4.7A)
None
 0.99A 1equA-2bd0A:
28.5		 1equA-2bd0A:
24.39
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.
2j7c BETA-GLUCOSIDASE A

(Thermotoga
maritima) 		PF00232
(Glyco_hydro_1) 		5 VAL A 290
LEU A 252
GLY A 291
HIS A 243
GLU A 341
 None
 1.34A 1equA-2j7cA:
2.3		 1equA-2j7cA:
21.30
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.
2yn0 TRANSCRIPTION FACTOR
TAU 55 KDA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00300
(His_Phos_1) 		5 VAL A 118
TYR A 108
GLY A 117
PRO A 116
GLU A  71
 None
 1.45A 1equA-2yn0A:
undetectable		 1equA-2yn0A:
24.02
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.
3ai2 NADPH-SORBOSE
REDUCTASE

(Gluconobacter
frateurii) 		PF13561
(adh_short_C2) 		5 SER A 144
LEU A 151
TYR A 157
GLY A 188
GLU A 220
 NDP  A 270 ( 3.7A)
None
NDP  A 270 (-4.6A)
None
None
 0.99A 1equA-3ai2A:
26.2		 1equA-3ai2A:
26.49
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.
3e8x PUTATIVE
NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Bacillus
halodurans) 		PF13460
(NAD_binding_10) 		5 SER A 110
VAL A 111
TYR A 126
GLY A 150
PRO A 151
 NAP  A 500 (-3.1A)
None
NAP  A 500 (-4.5A)
None
NAP  A 500 ( 4.9A)
 0.77A 1equA-3e8xA:
17.7		 1equA-3e8xA:
20.92
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.
3eh7 4-HYDROXYBUTYRATE
COA-TRANSFERASE

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 SER A 138
VAL A 137
GLY A 136
TYR A 182
GLU A 275
 None
 1.17A 1equA-3eh7A:
undetectable		 1equA-3eh7A:
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.
3fj4 MUCONATE
CYCLOISOMERASE

(Pseudomonas
protegens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A 270
VAL A 271
LEU A 224
GLY A 298
GLU A 329
 None
None
None
None
MUC  A 383 (-3.2A)
 1.42A 1equA-3fj4A:
undetectable		 1equA-3fj4A:
24.27
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.
3gpu DNA GLYCOSYLASE

(Geobacillus
stearothermophilus) 		PF01149
(Fapy_DNA_glyco)
PF06827
(zf-FPG_IleRS)
PF06831
(H2TH) 		5 SER A 158
VAL A 159
LEU A 163
GLY A 189
PRO A 188
 None
 1.13A 1equA-3gpuA:
undetectable		 1equA-3gpuA:
22.62
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.
3ilw DNA GYRASE SUBUNIT A

(Mycobacterium
tuberculosis) 		PF00521
(DNA_topoisoIV) 		5 VAL A 223
LEU A 197
GLY A 225
PRO A 226
TYR A 107
 None
 1.34A 1equA-3ilwA:
undetectable		 1equA-3ilwA:
24.16
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.
3ipo PUTATIVE THIOSULFATE
SULFURTRANSFERASE
YNJE

(Escherichia
coli) 		PF00581
(Rhodanese) 		5 VAL A 170
LEU A 151
TYR A 229
GLY A 188
PRO A 187
 None
 1.40A 1equA-3ipoA:
undetectable		 1equA-3ipoA:
22.97
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.
3lop SUBSTRATE BINDING
PERIPLASMIC PROTEIN

(Ralstonia
solanacearum) 		PF13458
(Peripla_BP_6) 		5 VAL A 384
LEU A 282
GLY A 288
PRO A 287
TYR A 372
 None
None
None
None
EDO  A 404 (-3.4A)
 1.44A 1equA-3lopA:
undetectable		 1equA-3lopA:
25.20
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.
3myr NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Allochromatium
vinosum) 		PF00374
(NiFeSe_Hases) 		5 VAL B1388
TYR B1526
PRO B1509
HIS B1104
GLU B1436
 None
None
NFV  B2005 (-3.5A)
None
None
 1.43A 1equA-3myrB:
undetectable		 1equA-3myrB:
23.60
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.
3o7b RIBOSOME BIOGENESIS
NEP1 RNA
METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF03587
(EMG1) 		5 SER A   3
VAL A 164
LEU A 145
TYR A 210
GLY A 162
 None
 1.48A 1equA-3o7bA:
undetectable		 1equA-3o7bA:
23.08
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.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 VAL A 173
TYR A 275
GLY A 171
HIS A 411
ARG A 482
 None
None
HEA  A   1 (-3.5A)
MG  A   6 ( 3.3A)
HEA  A   1 (-3.9A)
 1.46A 1equA-3omnA:
undetectable		 1equA-3omnA:
20.55
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.
3slk POLYKETIDE SYNTHASE
EXTENDER MODULE 2

(Saccharopolyspora
spinosa) 		PF08240
(ADH_N)
PF08659
(KR)
PF13602
(ADH_zinc_N_2) 		5 SER A 643
VAL A 644
LEU A 648
GLY A 683
PRO A 684
 NDP  A 802 (-3.2A)
None
None
NDP  A 802 (-4.6A)
None
 1.07A 1equA-3slkA:
8.0		 1equA-3slkA:
20.65
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.
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 SER A 304
VAL A 294
LEU A 406
GLY A 299
PRO A 404
 None
 1.49A 1equA-3u4jA:
4.9		 1equA-3u4jA:
22.63
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.
3usc HYDROGENASE-1 LARGE
CHAIN

(Escherichia
coli) 		PF00374
(NiFeSe_Hases) 		5 VAL L 410
TYR L 548
PRO L 531
HIS L 119
GLU L 458
 None
None
FCO  L 601 (-3.5A)
None
None
 1.31A 1equA-3uscL:
undetectable		 1equA-3uscL:
20.38
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.
3vml 3-ISOPROPYLMALATE
DEHYDROGENASE

(Shewanella
benthica;
Shewanella
oneidensis) 		PF00180
(Iso_dh) 		5 SER A 310
TYR A 278
GLY A 274
HIS A  99
GLU A  64
 None
 1.25A 1equA-3vmlA:
undetectable		 1equA-3vmlA:
24.94
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.
3wgo MESO-DIAMINOPIMELATE
DEHYDROGENASE

(Clostridium
tetani) 		PF16654
(DAPDH_C) 		5 VAL A 305
LEU A 118
GLY A 126
PRO A 125
HIS A 102
 None
 1.42A 1equA-3wgoA:
6.5		 1equA-3wgoA:
23.42
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.
4c3o HYDROGENASE-1 LARGE
SUBUNIT

(Salmonella
enterica) 		PF00374
(NiFeSe_Hases) 		5 VAL A 413
TYR A 551
PRO A 534
HIS A 119
GLU A 461
 None
None
NFU  A1004 (-3.8A)
None
None
 1.42A 1equA-4c3oA:
undetectable		 1equA-4c3oA:
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.
4cr6 N-ACYLMANNOSAMINE
1-DEHYDROGENASE

(Flavobacterium
sp. 141-8) 		PF13561
(adh_short_C2) 		5 SER A 153
VAL A 154
TYR A 166
GLY A 197
PRO A 198
 None
 0.56A 1equA-4cr6A:
24.8		 1equA-4cr6A:
26.84
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.
4ej0 ADP-L-GLYCERO-D-MANN
O-HEPTOSE-6-EPIMERAS
E

(Burkholderia
thailandensis) 		PF01370
(Epimerase) 		5 SER A 217
VAL A 218
GLY A 171
PRO A 172
GLU A  22
 None
 1.47A 1equA-4ej0A:
16.1		 1equA-4ej0A:
23.63
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.
4jug HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 SER A 111
VAL A 112
LEU A 260
GLY A 263
GLU A 116
 None
 1.25A 1equA-4jugA:
undetectable		 1equA-4jugA:
21.82
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.
4xae FERULOYL COA
ORTHO-HYDROXYLASE 1

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 VAL A 230
TYR A 220
GLY A 233
HIS A 264
ARG A 294
 None
 1.31A 1equA-4xaeA:
undetectable		 1equA-4xaeA:
21.97
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.
4yac C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 SER A 144
LEU A 151
TYR A 157
GLY A 188
GLU A 215
 None
 1.33A 1equA-4yacA:
28.0		 1equA-4yacA:
28.14
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.
4zad FDC1

(Candida
dubliniensis) 		PF01977
(UbiD) 		5 SER A 339
VAL A 338
LEU A 409
GLY A 336
HIS A 291
 None
 1.33A 1equA-4zadA:
undetectable		 1equA-4zadA:
21.83
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.
5idi 1,4-BETA-D-GLUCAN
GLUCOHYDROLASE

(Thermotoga
neapolitana) 		PF00232
(Glyco_hydro_1) 		5 VAL A 288
LEU A 250
GLY A 289
HIS A 241
GLU A 339
 None
 1.38A 1equA-5idiA:
2.5		 1equA-5idiA:
21.11
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.
5jyd SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 SER A 206
VAL A 207
TYR A 219
GLY A 250
PRO A 251
 NAD  A 901 (-3.1A)
None
NAD  A 901 (-4.6A)
IOD  A 903 (-4.5A)
IOD  A 903 (-4.4A)
 0.64A 1equA-5jydA:
25.7		 1equA-5jydA:
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.
5uj6 GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF11721
(Malectin)
PF16355
(DUF4982) 		5 VAL A 524
GLY A 570
TYR A 553
HIS A 556
GLU A 507
 None
 1.27A 1equA-5uj6A:
undetectable		 1equA-5uj6A:
18.62
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.
5unl 3-KETOACYL-ACP
REDUCTASE

(Burkholderia
multivorans) 		PF13561
(adh_short_C2) 		5 SER A 148
VAL A 149
LEU A 265
TYR A 161
GLY A 192
 NO3  A 306 ( 4.5A)
None
None
None
None
 0.83A 1equA-5unlA:
26.6		 1equA-5unlA:
27.70
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.
6chs PUTATIVE CELL
DIVISION CONTROL
PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 SER H 764
VAL H 765
LEU H 664
PRO H 537
GLU H 774
 None
None
None
AGS  H 902 (-4.8A)
None
 1.33A 1equA-6chsH:
undetectable		 1equA-6chsH:
undetectable