SIMILAR PATTERNS OF AMINO ACIDS FOR 2BXQ_A_IMNA2003

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.
1g8x MYOSIN II HEAVY
CHAIN FUSED TO
ALPHA-ACTININ 3

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		5 ILE A 280
PHE A 430
TYR A 426
ARG A 267
GLY A 226
 None
 1.18A 2bxqA-1g8xA:
0.7		 2bxqA-1g8xA:
21.09
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.
1iv8 MALTOOLIGOSYL
TREHALOSE SYNTHASE

(Sulfolobus
acidocaldarius) 		PF00128
(Alpha-amylase)
PF09196
(DUF1953) 		5 ARG A  70
LEU A  71
ILE A  82
HIS A  76
GLY A  79
 None
 1.47A 2bxqA-1iv8A:
0.0		 2bxqA-1iv8A:
22.47
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.
1jv1 GLCNAC1P
URIDYLTRANSFERASE
ISOFORM 1: AGX1

(Homo sapiens) 		PF01704
(UDPGP) 		5 ARG A 422
LEU A 129
ILE A 138
PHE A 136
GLY A 123
 None
 1.25A 2bxqA-1jv1A:
0.0		 2bxqA-1jv1A:
21.69
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.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ILE A 291
PHE A 441
TYR A 437
ARG A 278
GLY A 237
 None
 1.27A 2bxqA-1jx2A:
3.2		 2bxqA-1jx2A:
20.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		5 ARG A 114
ARG A 145
HIS A 146
PHE A 157
GLY A 189
 None
 1.45A 2bxqA-1tf0A:
38.1		 2bxqA-1tf0A:
99.83
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.
1w8j MYOSIN VA

(Gallus gallus) 		PF00063
(Myosin_head) 		5 ILE A 261
PHE A 412
TYR A 408
ARG A 248
GLY A 207
 None
 1.30A 2bxqA-1w8jA:
0.0		 2bxqA-1w8jA:
23.30
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.
1xv5 DNA
ALPHA-GLUCOSYLTRANSF
ERASE

(Escherichia
virus T4) 		PF11440
(AGT) 		5 LEU A1363
ILE A1346
ARG A1359
PHE A1348
TYR A1291
 None
 1.01A 2bxqA-1xv5A:
0.0		 2bxqA-1xv5A:
20.94
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.
1z5v TUBULIN GAMMA-1
CHAIN

(Homo sapiens) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 LEU A 192
ILE A 141
HIS A 139
ARG A 194
GLY A 148
 None
 1.04A 2bxqA-1z5vA:
0.0		 2bxqA-1z5vA:
19.40
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.
2kl1 YLBL PROTEIN

(Geobacillus
thermodenitrificans) 		PF13180
(PDZ_2) 		5 ARG A  21
LEU A  70
TYR A  45
ARG A  56
GLY A  33
 None
 1.46A 2bxqA-2kl1A:
undetectable		 2bxqA-2kl1A:
8.96
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.
2pyj DNA POLYMERASE

(Bacillus virus
phi29) 		PF03175
(DNA_pol_B_2) 		5 LEU A 335
ILE A 442
TYR A 315
ARG A 227
GLY A 229
 None
 1.20A 2bxqA-2pyjA:
0.0		 2bxqA-2pyjA:
22.46
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.
2xsb HYALURONOGLUCOSAMINI
DASE

(Oceanicola
granulosus) 		PF07555
(NAGidase) 		5 ARG A 177
LEU A 178
ILE A 188
ARG A 213
GLY A 209
 None
 1.17A 2bxqA-2xsbA:
2.5		 2bxqA-2xsbA:
21.79
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.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ILE X 280
PHE X 430
TYR X 426
ARG X 238
GLY X 226
 None
 1.48A 2bxqA-2y9eX:
2.0		 2bxqA-2y9eX:
22.58
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.
2yqh UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Candida
albicans) 		PF01704
(UDPGP) 		5 ARG A 435
LEU A 130
ILE A 139
PHE A 137
GLY A 124
 None
 1.33A 2bxqA-2yqhA:
undetectable		 2bxqA-2yqhA:
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.
3bjq PHAGE-RELATED
PROTEIN

(Bordetella
bronchiseptica) 		PF03864
(Phage_cap_E) 		5 LEU A 246
ILE A 168
HIS A 140
PHE A  54
GLY A 300
 None
 1.47A 2bxqA-3bjqA:
undetectable		 2bxqA-3bjqA:
20.83
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 ILE A 289
PHE A 438
TYR A 434
ARG A 276
GLY A 235
 None
 1.26A 2bxqA-3i5gA:
2.8		 2bxqA-3i5gA:
21.41
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.
3sql GLYCOSYL HYDROLASE
FAMILY 3

(Synechococcus
sp. PCC 7002) 		PF00933
(Glyco_hydro_3) 		5 ARG A  25
LEU A  60
ILE A 140
ARG A  96
GLY A  92
 None
 1.50A 2bxqA-3sqlA:
0.5		 2bxqA-3sqlA:
21.96
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.
3u3g RIBONUCLEASE H

(uncultured
organism) 		no annotation 5 ARG D 110
LEU D  60
ILE D  25
HIS D  34
GLY D  22
 None
 1.37A 2bxqA-3u3gD:
undetectable		 2bxqA-3u3gD:
13.30
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.
4lix ENT-COPALYL
DIPHOSPHATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ARG A 106
LEU A 105
ILE A 334
HIS A 331
GLY A 111
 None
 0.86A 2bxqA-4lixA:
3.3		 2bxqA-4lixA:
20.89
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.
4lsw D-2-HYDROXYACID
DEHYDROGENSASE
PROTEIN

(Ketogulonicigenium
vulgare) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ARG A 290
LEU A 100
ILE A 156
PHE A 202
GLY A 108
 None
 1.17A 2bxqA-4lswA:
undetectable		 2bxqA-4lswA:
19.49
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.
4xbz EVDO1

(Micromonospora
carbonacea) 		PF05721
(PhyH) 		5 ARG A 271
LEU A 106
ILE A 109
ARG A  19
GLY A  22
 None
 1.43A 2bxqA-4xbzA:
undetectable		 2bxqA-4xbzA:
19.50
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.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		5 ARG A  62
ILE A 147
ARG A  59
PHE A 117
GLY C  52
 None
 1.11A 2bxqA-4yfaA:
undetectable		 2bxqA-4yfaA:
13.61
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.
5c9i PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		5 ARG A  62
ILE A 147
ARG A  59
PHE A 117
GLY A 254
 None
 1.12A 2bxqA-5c9iA:
undetectable		 2bxqA-5c9iA:
19.10
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.
5fca ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Mus musculus) 		PF00149
(Metallophos) 		5 ARG A 277
LEU A 432
PHE A 287
TYR A 288
GLY A 285
 None
 1.18A 2bxqA-5fcaA:
undetectable		 2bxqA-5fcaA:
21.42
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.
5van BETA-KLOTHO

(Homo sapiens) 		no annotation 5 LEU A 138
ILE A 187
ARG A 185
PHE A 148
GLY A  88
 None
 1.20A 2bxqA-5vanA:
undetectable		 2bxqA-5vanA:
8.97
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.
5wi9 -

(-) 		no annotation 5 LEU A 138
ILE A 187
ARG A 185
PHE A 148
GLY A  88
 None
 1.22A 2bxqA-5wi9A:
undetectable		 2bxqA-5wi9A:
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Homo sapiens) 		PF06212
(GRIM-19) 		5 LEU w 140
ILE w 195
PHE w 167
TYR w 187
ARG w 139
 None
 1.38A 2bxqA-5xtdw:
undetectable		 2bxqA-5xtdw:
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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ARG A 737
LEU A 736
ILE A 697
PHE A 729
GLY A 713
 None
 1.42A 2bxqA-5xxoA:
undetectable		 2bxqA-5xxoA:
8.29
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.
6fsa -

(-) 		no annotation 5 ILE A 285
PHE A 436
TYR A 432
ARG A 272
GLY A 231
 None
None
None
FMT  A2004 (-3.8A)
None
 1.26A 2bxqA-6fsaA:
2.8		 2bxqA-6fsaA:
undetectable