SIMILAR PATTERNS OF AMINO ACIDS FOR 3V3O_C_T1CC401

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.
1a5i PLASMINOGEN
ACTIVATOR

(Desmodus
rotundus) 		PF00089
(Trypsin) 		5 ASP A 194
HIS A 188
GLY A  18
SER A  16
GLY A 142
 None
 1.30A 3v3oC-1a5iA:
undetectable		 3v3oC-1a5iA:
20.62
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 ASP A 632
GLN A 580
GLY A 760
SER A 578
GLY A 627
 None
 1.35A 3v3oC-1dgjA:
undetectable		 3v3oC-1dgjA:
18.23
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.
1lzk HEROIN ESTERASE

(Rhodococcus sp.) 		PF07859
(Abhydrolase_3) 		5 ASP A 132
PHE A  90
GLY A  89
SER A 217
GLY A 128
 None
None
CAC  A 500 (-3.5A)
None
None
 1.41A 3v3oC-1lzkA:
1.2		 3v3oC-1lzkA:
21.18
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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 ASP A 653
PHE A  16
HIS A 203
GLY A  17
MET A  50
 None
 1.32A 3v3oC-1tmoA:
0.0		 3v3oC-1tmoA:
18.75
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.
1tz7 4-ALPHA-GLUCANOTRANS
FERASE

(Aquifex
aeolicus) 		PF02446
(Glyco_hydro_77) 		5 ASP A 385
ASN A  47
HIS A   9
SER A  60
PRO A 208
 None
 1.39A 3v3oC-1tz7A:
undetectable		 3v3oC-1tz7A:
21.33
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 ASN A 150
HIS A 272
GLY A 163
SER A 165
GLY A 263
 NAP  A 800 (-4.4A)
None
None
None
None
 0.62A 3v3oC-1vljA:
0.0		 3v3oC-1vljA:
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 ASP A 206
ASN A 150
HIS A 268
SER A 165
GLY A 262
 None
NAP  A 800 (-4.4A)
FE  A 400 (-3.4A)
None
None
 1.41A 3v3oC-1vljA:
0.0		 3v3oC-1vljA:
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.
1w18 LEVANSUCRASE

(Gluconacetobacter
diazotrophicus) 		PF02435
(Glyco_hydro_68) 		5 ASN A 520
GLN A 446
ARG A 347
HIS A  73
GLY A  63
 None
 1.27A 3v3oC-1w18A:
0.0		 3v3oC-1w18A:
21.35
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.
1w93 ACETYL-COENZYME A
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ASP A 306
HIS A  31
GLY A 177
SER A 182
GLY A 309
 None
 1.39A 3v3oC-1w93A:
0.6		 3v3oC-1w93A:
22.34
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.
1wyt GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 ASN B 323
HIS B 134
GLY B 280
PRO B 277
GLY B 275
 None
 1.31A 3v3oC-1wytB:
undetectable		 3v3oC-1wytB:
21.56
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.
2et6 (3R)-HYDROXYACYL-COA
DEHYDROGENASE

(Candida
tropicalis) 		PF00106
(adh_short) 		5 ASN A 401
GLY A 429
SER A 434
GLY A 476
MET A 107
 None
 1.38A 3v3oC-2et6A:
4.0		 3v3oC-2et6A:
22.20
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.
2md7 NUCLEAR BODY PROTEIN
SP140

(Homo sapiens) 		PF00628
(PHD) 		5 ASP B  24
ARG B   6
HIS B  35
GLY B  18
PRO B  45
 None
None
ZN  B 102 (-2.9A)
None
None
 1.34A 3v3oC-2md7B:
undetectable		 3v3oC-2md7B:
9.59
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.
2p10 MLL9387 PROTEIN

(Mesorhizobium
japonicum) 		PF09370
(PEP_hydrolase) 		5 ASP A 174
ASN A 101
PHE A 127
GLY A  99
GLY A 131
 None
ACT  A 286 (-3.2A)
CL  A 290 ( 4.7A)
None
None
 1.21A 3v3oC-2p10A:
undetectable		 3v3oC-2p10A:
21.34
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.
2yik ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		5 ASP A 281
GLN A 183
HIS A 182
GLY A 268
PRO A 126
 CA  A1333 (-2.9A)
None
None
None
None
 1.46A 3v3oC-2yikA:
0.0		 3v3oC-2yikA:
21.70
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.
3cx3 LIPOPROTEIN

(Streptococcus
pneumoniae) 		PF01297
(ZnuA) 		5 ASP A 145
ASN A 262
GLY A  69
SER A 287
PRO A 284
 None
 1.29A 3v3oC-3cx3A:
undetectable		 3v3oC-3cx3A:
21.50
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.
3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		5 GLN A 604
GLY A 440
SER A 454
PRO A 690
GLY A 693
 None
 1.40A 3v3oC-3fbyA:
undetectable		 3v3oC-3fbyA:
20.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		8 ASN A 190
ARG A 213
HIS A 234
GLY A 236
SER A 238
PRO A 318
GLY A 321
MET A 375
 FAD  A 401 ( 4.5A)
SO4  A   1 (-4.5A)
SO4  A   1 ( 4.6A)
None
None
FAD  A 401 (-4.4A)
None
None
 0.60A 3v3oC-3p9uA:
56.6		 3v3oC-3p9uA:
99.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		8 ASN A 190
GLN A 192
ARG A 213
HIS A 234
GLY A 236
SER A 238
PRO A 318
GLY A 321
 FAD  A 401 ( 4.5A)
FAD  A 401 (-3.4A)
SO4  A   1 (-4.5A)
SO4  A   1 ( 4.6A)
None
None
FAD  A 401 (-4.4A)
None
 0.80A 3v3oC-3p9uA:
56.6		 3v3oC-3p9uA:
99.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		8 ASP A  61
ASN A 190
ARG A 213
HIS A 234
GLY A 236
SER A 238
PRO A 318
MET A 375
 None
FAD  A 401 ( 4.5A)
SO4  A   1 (-4.5A)
SO4  A   1 ( 4.6A)
None
None
FAD  A 401 (-4.4A)
None
 0.69A 3v3oC-3p9uA:
56.6		 3v3oC-3p9uA:
99.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		8 ASP A  61
ASN A 190
GLN A 192
ARG A 213
HIS A 234
GLY A 236
SER A 238
PRO A 318
 None
FAD  A 401 ( 4.5A)
FAD  A 401 (-3.4A)
SO4  A   1 (-4.5A)
SO4  A   1 ( 4.6A)
None
None
FAD  A 401 (-4.4A)
 0.84A 3v3oC-3p9uA:
56.6		 3v3oC-3p9uA:
99.74
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		5 ASP A 126
ASN A  62
GLN A  64
HIS A 239
GLY A  99
 SO4  A   1 (-2.8A)
None
None
None
None
 1.45A 3v3oC-3rm5A:
undetectable		 3v3oC-3rm5A:
20.80
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.
3u3x OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ARG A 272
HIS A 298
GLY A 292
PRO A 266
GLY A 269
 None
 1.50A 3v3oC-3u3xA:
undetectable		 3v3oC-3u3xA:
20.15
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.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		5 PHE A 464
HIS A 459
GLY A 462
PRO A 505
GLY A 520
 None
 1.47A 3v3oC-4ci8A:
undetectable		 3v3oC-4ci8A:
20.42
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.
4fet SPORE CORTEX-LYTIC
ENZYME PREPEPTIDE

(Bacillus
anthracis) 		no annotation 5 ASN B 215
GLY B 216
PRO B 133
GLY B 135
MET B 144
 None
 1.29A 3v3oC-4fetB:
undetectable		 3v3oC-4fetB:
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.
4gd5 PHOSPHATE ABC
TRANSPORTER,
PHOSPHATE-BINDING
PROTEIN

(Clostridium
perfringens) 		PF12849
(PBP_like_2) 		5 ASP A 163
ASN A  77
GLY A  86
SER A  39
GLY A 158
 None
 0.96A 3v3oC-4gd5A:
undetectable		 3v3oC-4gd5A:
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.
4v0h METALLO-BETA-LACTAMA
SE DOMAIN-CONTAINING
PROTEIN 1 1

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 ARG A 220
HIS A 172
GLY A 194
SER A  46
GLY A 201
 None
FE  A1242 (-3.4A)
None
None
None
 1.49A 3v3oC-4v0hA:
undetectable		 3v3oC-4v0hA:
22.28
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		5 ASP A1044
ASN A1107
GLY A 469
SER A1173
GLY A1040
 None
 1.28A 3v3oC-4zhjA:
0.0		 3v3oC-4zhjA:
15.60
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.
5a87 METALLO-BETA-LACTAMA
SE VIM-5

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		5 ASP A 247
ASN A  70
GLY A 197
PRO A 243
GLY A 245
 None
 1.43A 3v3oC-5a87A:
undetectable		 3v3oC-5a87A:
20.81
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.
5az3 ABC-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Corynebacterium
glutamicum) 		PF01497
(Peripla_BP_2) 		5 ASP A 100
ARG A 185
GLY A 191
SER A 214
GLY A 103
 None
 1.28A 3v3oC-5az3A:
undetectable		 3v3oC-5az3A:
19.46
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		5 ASP A 306
HIS A  31
GLY A 177
SER A 182
GLY A 309
 None
 1.25A 3v3oC-5cslA:
2.4		 3v3oC-5cslA:
10.59
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 ASP A 328
PHE A 202
HIS A 192
GLY A 201
SER A 150
 None
TSN  A2002 (-3.9A)
TSN  A2002 (-3.9A)
TSN  A2002 ( 3.8A)
TSN  A2002 (-3.6A)
 1.31A 3v3oC-5eefA:
undetectable		 3v3oC-5eefA:
22.20
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.
5efn HDAC6 PROTEIN

(Danio rerio) 		no annotation 5 PHE B 583
HIS B 573
GLY B 582
SER B 531
GLY B 713
 None
 1.41A 3v3oC-5efnB:
undetectable		 3v3oC-5efnB:
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.
5fcs DIABODY

(Homo sapiens) 		PF07686
(V-set) 		5 GLN L 157
PHE H 100
GLY L 162
PRO H  46
GLY H  48
 None
 1.50A 3v3oC-5fcsL:
undetectable		 3v3oC-5fcsL:
19.63
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.
5ot4 INTERAPTIN

(Legionella
pneumophila) 		no annotation 5 ASP A  41
HIS A 108
GLY A 160
SER A 178
GLY A 151
 None
 1.27A 3v3oC-5ot4A:
undetectable		 3v3oC-5ot4A:
13.64
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.
5u3h HMWP2 NONRIBOSOMAL
PEPTIDE SYNTHETASE

(Yersinia pestis) 		PF00550
(PP-binding) 		5 ASP A  28
ASN A  45
GLN A  38
PRO A  25
GLY A  27
 None
 1.18A 3v3oC-5u3hA:
undetectable		 3v3oC-5u3hA:
15.57
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.
5uju NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		5 ASN A 123
GLN A 153
PHE A 145
GLY A 149
GLY A  42
 None
 1.42A 3v3oC-5ujuA:
3.0		 3v3oC-5ujuA:
20.95
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.
5uuo GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Novosphingobium
aromaticivorans) 		no annotation 5 ASP B 252
ASN B  58
ARG B 261
GLY B  55
GLY B 221
 None
GSH  B 302 ( 2.9A)
None
EDO  B 306 ( 3.0A)
None
 1.43A 3v3oC-5uuoB:
undetectable		 3v3oC-5uuoB:
12.60