SIMILAR PATTERNS OF AMINO ACIDS FOR 2ZM8_A_ACAA512

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.
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT

(Escherichia
coli) 		PF00701
(DHDPS) 		5 TYR A  43
TYR A 137
SER A  47
GLY A 189
ILE A 206
 3PY  A 802 (-4.6A)
3PY  A 802 (-4.0A)
3PY  A 802 (-3.2A)
None
3PY  A 802 ( 4.9A)
 1.28A 2zm8A-1hl2A:
0.0		 2zm8A-1hl2A:
23.97
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 MET A 622
TYR A 635
SER A 461
GLY A 621
ILE A 640
 None
 1.20A 2zm8A-1r9jA:
0.0		 2zm8A-1r9jA:
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.
1tdk L-AMINO ACID OXIDASE

(Gloydius halys) 		PF01593
(Amino_oxidase) 		5 MET A 207
TYR A 157
HIS A 223
GLY A 204
ILE A 203
 None
None
LVG  A 487 (-2.5A)
None
None
 1.49A 2zm8A-1tdkA:
0.0		 2zm8A-1tdkA:
22.16
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.
1tdk L-AMINO ACID OXIDASE

(Gloydius halys) 		PF01593
(Amino_oxidase) 		5 MET A 207
TYR A 157
SER A 220
GLY A 204
ILE A 203
 None
 1.46A 2zm8A-1tdkA:
0.0		 2zm8A-1tdkA:
22.16
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.
2bjs ISOPENICILLIN N
SYNTHETASE

(Aspergillus
nidulans) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 MET A 257
TYR A 160
SER A  36
GLY A 254
ILE A 220
 None
 1.47A 2zm8A-2bjsA:
0.0		 2zm8A-2bjsA:
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.
2bk9 CG9734-PA

(Drosophila
melanogaster) 		PF00042
(Globin) 		5 ALA A  62
PHE A  42
HIS A  61
GLY A  24
ILE A  27
 None
HEM  A1154 (-3.0A)
HEM  A1154 (-3.2A)
None
None
 1.10A 2zm8A-2bk9A:
undetectable		 2zm8A-2bk9A:
15.46
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.
2bxy MALTOOLIGOSYLTREHALO
SE TREHALOHYDROLASE

(Deinococcus
radiodurans) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF11941
(DUF3459) 		5 MET A 262
ALA A 260
TYR A 215
PHE A 269
GLY A 258
 None
 1.04A 2zm8A-2bxyA:
0.0		 2zm8A-2bxyA:
21.86
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.
2wp0 HOBA

(Helicobacter
pylori) 		PF12163
(HobA) 		5 TYR A  91
SER A  53
HIS A 114
GLY A 122
ILE A 126
 CL  A 203 (-3.9A)
None
None
None
None
 1.48A 2zm8A-2wp0A:
0.0		 2zm8A-2wp0A:
16.41
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.
2xsj SULFITE REDUCTASE
ALPHA SUBUNIT
SULFITE REDUCTASE
BETA SUBUNIT

(Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF12838
(Fer4_7) 		5 MET A 341
ALA A 331
HIS B 197
GLY A 342
ILE A 229
 None
 1.28A 2zm8A-2xsjA:
0.0		 2zm8A-2xsjA:
20.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Flavobacterium
sp.) 		PF00144
(Beta-lactamase) 		7 MET A 111
TRP A 186
TYR A 215
SER A 217
HIS A 266
GLY A 344
ILE A 345
 MES  A 504 (-3.8A)
MES  A 504 (-4.0A)
GOL  A 505 ( 4.4A)
MES  A 504 ( 2.7A)
MES  A 504 (-4.0A)
MES  A 501 (-3.5A)
MES  A 504 ( 3.7A)
 0.30A 2zm8A-2zm2A:
67.1		 2zm8A-2zm2A:
98.21
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 MET A 352
ALA A 351
PHE A 392
GLY A 329
ILE A 328
 None
 1.33A 2zm8A-3ce6A:
undetectable		 2zm8A-3ce6A:
24.03
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.
3cih PUTATIVE
ALPHA-RHAMNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 MET A 322
TYR A 300
PHE A 330
GLY A 318
ILE A 629
 None
 1.34A 2zm8A-3cihA:
undetectable		 2zm8A-3cihA:
18.50
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01301
(Glyco_hydro_35) 		5 ALA A 270
TYR A 618
SER A 317
PHE A 265
HIS A 267
 None
 1.10A 2zm8A-3d3aA:
undetectable		 2zm8A-3d3aA:
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.
3exz MAOC-LIKE
DEHYDRATASE

(Rhodospirillum
rubrum) 		PF01575
(MaoC_dehydratas) 		5 ALA A  43
SER A  69
PHE A  51
HIS A  52
GLY A  44
 None
 1.17A 2zm8A-3exzA:
undetectable		 2zm8A-3exzA:
17.01
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.
3wxw ADIPONECTIN RECEPTOR
PROTEIN 2

(Homo sapiens) 		PF03006
(HlyIII) 		5 ALA A 359
TYR A 321
TRP A 313
SER A 230
HIS A 362
 None
 1.35A 2zm8A-3wxwA:
undetectable		 2zm8A-3wxwA:
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.
4hyn CHEC, INHIBITOR OF
MCP METHYLATION /
FLIN FUSION PROTEIN

(Thermotoga
maritima) 		PF04509
(CheC) 		5 MET A 138
ALA A 141
TYR A  86
GLY A 139
ILE A 155
 None
 1.35A 2zm8A-4hynA:
undetectable		 2zm8A-4hynA:
19.52
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.
4udn PERIPLASMIC SOLUTE
BINDING PROTEIN

(Candidatus
Liberibacter
asiaticus) 		PF01297
(ZnuA) 		5 MET A 115
ALA A 114
TYR A 143
TYR A 259
ILE A 118
 None
 1.12A 2zm8A-4udnA:
undetectable		 2zm8A-4udnA:
19.54
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.
5h8w ATP-DEPENDENT DNA
HELICASE TA0057

(Thermoplasma
acidophilum) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		5 ALA A 213
TYR A 183
PHE A 397
HIS A 380
ILE A 219
 None
 1.41A 2zm8A-5h8wA:
undetectable		 2zm8A-5h8wA:
19.44
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.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		5 TYR A 155
TRP A 236
SER A 109
GLY A 147
ILE A 146
 None
 1.27A 2zm8A-5lrbA:
undetectable		 2zm8A-5lrbA:
17.19
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.
5ol6 NUCLEIC ACID
BINDING, OB-FOLD,
TRNA/HELICASE-TYPE,D
NA-DIRECTED DNA
POLYMERASE

(Nostoc
punctiforme) 		no annotation 5 ALA A  36
PHE A 116
HIS A 114
GLY A  19
ILE A  18
 None
 1.39A 2zm8A-5ol6A:
undetectable		 2zm8A-5ol6A:
17.82
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.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 5 MET A1808
TYR A1701
PHE A1766
GLY A1809
ILE A1811
 None
 1.38A 2zm8A-5zalA:
undetectable		 2zm8A-5zalA:
11.48
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT STT3

(Saccharomyces
cerevisiae) 		no annotation 5 MET A 267
ALA A 269
TYR A 243
HIS A 266
GLY A 271
 EGY  A 803 (-4.6A)
None
None
None
EGY  A 803 ( 4.4A)
 1.47A 2zm8A-6c26A:
undetectable		 2zm8A-6c26A:
11.11