SIMILAR PATTERNS OF AMINO ACIDS FOR 2B82_B_ADNB1002_1

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.
1b8a PROTEIN
(ASPARTYL-TRNA
SYNTHETASE)

(Thermococcus
kodakarensis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 PHE A 389
GLU A 196
TYR A 392
LEU A 193
GLY A 171
 None
 1.48A 2b82B-1b8aA:
0.0		 2b82B-1b8aA:
19.91
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.
1qwg (2R)-PHOSPHO-3-SULFO
LACTATE SYNTHASE

(Methanocaldococcus
jannaschii) 		PF02679
(ComA) 		5 PHE A  41
LYS A  43
GLU A 103
TYR A  72
LEU A 131
 None
SO4  A 301 (-3.0A)
SO4  A 301 (-3.4A)
None
None
 1.35A 2b82B-1qwgA:
0.4		 2b82B-1qwgA:
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.
1txk GLUCANS BIOSYNTHESIS
PROTEIN G

(Escherichia
coli) 		PF04349
(MdoG) 		5 PHE A 310
LEU A 250
GLY A 246
THR A 338
TYR A 383
 None
 1.14A 2b82B-1txkA:
0.0		 2b82B-1txkA:
18.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hf7 CLASS B ACID
PHOSPHATASE

(Escherichia
coli) 		PF03767
(Acid_phosphat_B) 		6 LYS A  60
GLU A  68
TYR A  70
LEU A  71
TRP A  77
GLY A 144
 None
 1.06A 2b82B-2hf7A:
37.1		 2b82B-2hf7A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hf7 CLASS B ACID
PHOSPHATASE

(Escherichia
coli) 		PF03767
(Acid_phosphat_B) 		9 PHE A  56
LYS A  60
GLU A  68
TYR A  70
LEU A  71
TRP A  77
GLY A 113
THR A 192
TYR A 193
 None
None
None
None
None
None
AF3  A 800 (-3.5A)
None
None
 0.56A 2b82B-2hf7A:
37.1		 2b82B-2hf7A:
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.
2kha BETA-1,3-GLUCAN-BIND
ING PROTEIN

(Plodia
interpunctella) 		PF15886
(CBM39) 		5 PHE A  66
GLU A  15
LEU A  22
GLY A  38
THR A  65
 None
 1.32A 2b82B-2khaA:
undetectable		 2b82B-2khaA:
21.84
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.
2xf2 CATALASE

(Penicillium
janthinellum) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 PHE A  74
GLU A 269
TRP A 229
GLY A 273
TYR A  77
 None
 1.29A 2b82B-2xf2A:
3.3		 2b82B-2xf2A:
16.16
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.
3h2i ESTERASE

(Xanthomonas
oryzae) 		PF03583
(LIP) 		5 PHE A 269
GLU A  89
LEU A 275
GLY A 231
TYR A 138
 None
 1.24A 2b82B-3h2iA:
1.4		 2b82B-3h2iA:
19.69
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.
3hbx GLUTAMATE
DECARBOXYLASE 1

(Arabidopsis
thaliana) 		PF00282
(Pyridoxal_deC) 		5 PHE A 314
GLU A 298
LEU A 296
TRP A 290
GLY A 134
 None
 1.42A 2b82B-3hbxA:
1.6		 2b82B-3hbxA:
17.20
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.
3t8k UNCHARACTERIZED
PROTEIN

(Leptotrichia
buccalis) 		no annotation 5 PHE A  57
LYS A  53
GLU A  17
TYR A  16
LEU A  20
 None
 1.48A 2b82B-3t8kA:
0.0		 2b82B-3t8kA:
22.27
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.
4q0s L-RIBOSE ISOMERASE

(Acinetobacter
sp. DL-28) 		no annotation 5 PHE A 125
GLU A  61
TYR A 164
LEU A 156
GLY A 153
 None
 1.46A 2b82B-4q0sA:
undetectable		 2b82B-4q0sA:
19.33
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.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 PHE A 612
LYS A 616
LEU A 601
TRP A 600
THR A 557
 None
 1.35A 2b82B-5e84A:
undetectable		 2b82B-5e84A:
16.31
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.
5ldt MOMP PORIN

(Campylobacter
jejuni) 		PF05538
(Campylo_MOMP) 		5 PHE A 303
TYR A 276
LEU A 310
THR A 305
TYR A 304
 None
 1.38A 2b82B-5ldtA:
undetectable		 2b82B-5ldtA:
17.37
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.
5ldt MOMP PORIN

(Campylobacter
jejuni) 		PF05538
(Campylo_MOMP) 		5 TYR A 276
LEU A 310
GLY A 294
THR A 305
TYR A 304
 None
 1.32A 2b82B-5ldtA:
undetectable		 2b82B-5ldtA:
17.37
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.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LYS A 142
GLU A 115
TYR A 143
LEU A 118
GLY A 123
 None
 1.45A 2b82B-5w4bA:
2.7		 2b82B-5w4bA:
21.12