SIMILAR PATTERNS OF AMINO ACIDS FOR 3PHA_A_ACRA701_2

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.
1ej6 LAMBDA1

(Reovirus sp.) 		no annotation 4 PRO B1153
ILE B1190
TYR B1156
MET B1181
 None
 1.48A 3phaA-1ej6B:
undetectable		 3phaA-1ej6B:
19.18
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.
1qox BETA-GLUCOSIDASE

(Bacillus
circulans) 		PF00232
(Glyco_hydro_1) 		4 PRO A 221
ILE A 219
TYR A 295
TRP A 328
 None
 1.45A 3phaA-1qoxA:
3.7		 3phaA-1qoxA:
21.06
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.
1tr1 BETA-GLUCOSIDASE A

(Paenibacillus
polymyxa) 		PF00232
(Glyco_hydro_1) 		4 ILE A 113
TYR A 395
TRP A 434
MET A 416
 None
 1.44A 3phaA-1tr1A:
7.2		 3phaA-1tr1A:
22.18
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.
1vjz ENDOGLUCANASE

(Thermotoga
maritima) 		PF00150
(Cellulase) 		4 ILE A  79
TYR A 124
TRP A 117
MET A  45
 None
 0.96A 3phaA-1vjzA:
2.8		 3phaA-1vjzA:
18.82
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.
2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD

(Lactobacillus
paracasei) 		PF04909
(Amidohydro_2) 		4 PRO A 215
ILE A 218
TYR A 208
TRP A 146
 None
 1.15A 3phaA-2qpxA:
4.2		 3phaA-2qpxA:
21.13
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.
2uvj ABC TYPE PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Yersinia
enterocolitica) 		PF13416
(SBP_bac_8) 		4 PRO A 206
ILE A 205
TYR A 386
TRP A  91
 None
 1.29A 3phaA-2uvjA:
0.0		 3phaA-2uvjA:
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.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2) 		4 PRO A 159
ILE A 160
TYR A 194
MET A 133
 None
 1.35A 3phaA-2vmfA:
2.9		 3phaA-2vmfA:
22.52
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.
3grk ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
(NADH)

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		4 PRO A 194
ILE A 195
TYR A 208
MET A 156
 None
 1.36A 3phaA-3grkA:
2.4		 3phaA-3grkA:
19.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3poc ALPHA-GLUCOSIDASE

(Blautia obeum) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 PRO A  75
ILE A  76
TRP A 305
MET A 308
 None
None
None
ACR  A 664 ( 3.8A)
 0.30A 3phaA-3pocA:
62.4		 3phaA-3pocA:
99.70
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.
3qc2 GLYCOSYL HYDROLASE

(Bacteroides
ovatus) 		PF04041
(Glyco_hydro_130) 		4 PRO A 274
ILE A 348
TYR A 227
TRP A 244
 None
 1.48A 3phaA-3qc2A:
undetectable		 3phaA-3qc2A:
20.39
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.
3qo7 SERYL-TRNA
SYNTHETASE,
CYTOPLASMIC

(Candida
albicans) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		4 PRO A 428
ILE A 427
TYR A 327
TRP A 131
 None
 1.33A 3phaA-3qo7A:
undetectable		 3phaA-3qo7A:
21.04
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.
4l01 TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 PRO A 757
ILE A 756
TYR A 788
MET A 824
 None
 1.16A 3phaA-4l01A:
undetectable		 3phaA-4l01A:
19.45
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.
4y9l PROTEIN ACDH-11,
ISOFORM B

(Caenorhabditis
elegans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		4 PRO A 461
ILE A 462
TYR A 423
MET A 345
 None
 1.08A 3phaA-4y9lA:
0.0		 3phaA-4y9lA:
22.82
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.
5gj3 PERIPLASMIC BINDING
PROTEIN

(Roseiflexus sp.
RS-1) 		PF01497
(Peripla_BP_2) 		4 PRO A 191
ILE A 195
TYR A 332
MET A 258
 None
 1.31A 3phaA-5gj3A:
undetectable		 3phaA-5gj3A:
17.45
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.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		4 PRO A  67
ILE A  68
TYR A 159
TRP A 188
 None
 1.17A 3phaA-5h05A:
13.3		 3phaA-5h05A:
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.
5uj1 DNA TOPOISOMERASE 1

(Mycobacterium
tuberculosis) 		no annotation 4 PRO A  53
ILE A  84
TYR A 176
TRP A 183
 None
 1.45A 3phaA-5uj1A:
undetectable		 3phaA-5uj1A:
8.93
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.
5ysm CYTOCHROME P450

(Amycolatopsis
mediterranei) 		no annotation 4 PRO A 166
ILE A 170
TYR A 380
MET A 158
 None
 1.32A 3phaA-5ysmA:
undetectable		 3phaA-5ysmA:
10.04
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.
6f74 ALCOHOL OXIDASE

(Thermothelomyces
thermophila) 		no annotation 4 PRO A  62
ILE A  63
TYR A 168
TRP A  39
 None
 1.42A 3phaA-6f74A:
undetectable		 3phaA-6f74A:
7.41