SIMILAR PATTERNS OF AMINO ACIDS FOR 3M0W_B_P77B204_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.
1pov POLIOVIRUS NATIVE
EMPTY CAPSID (TYPE
1)

(Enterovirus C) 		PF00073
(Rhv)
PF02226
(Pico_P1A) 		4 MET 0 199
CYH 0 200
PHE 0 243
PHE 0 226
 None
 1.28A 3m0wB-1pov0:
undetectable
3m0wJ-1pov0:
undetectable		 3m0wB-1pov0:
13.27
3m0wJ-1pov0:
13.27
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.
1tuz DIACYLGLYCEROL
KINASE ALPHA

(Homo sapiens) 		PF14513
(DAG_kinase_N) 		4 CYH A  95
PHE A  53
PHE A  78
PHE A 103
 None
 1.39A 3m0wB-1tuzA:
4.2
3m0wJ-1tuzA:
4.4		 3m0wB-1tuzA:
20.33
3m0wJ-1tuzA:
20.33
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.
2a98 INOSITOL
1,4,5-TRISPHOSPHATE
3-KINASE C

(Homo sapiens) 		PF03770
(IPK) 		4 CYH A 485
GLU A 555
PHE A 568
PHE A 584
 None
I3P  A   1 ( 4.4A)
None
None
 1.40A 3m0wB-2a98A:
undetectable
3m0wJ-2a98A:
undetectable		 3m0wB-2a98A:
16.99
3m0wJ-2a98A:
16.99
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.
2aja ANKYRIN REPEAT
FAMILY PROTEIN

(Legionella
pneumophila) 		no annotation 4 MET A 224
CYH A 221
PHE A 243
PHE A 217
 None
 1.15A 3m0wB-2ajaA:
undetectable
3m0wJ-2ajaA:
undetectable		 3m0wB-2ajaA:
14.98
3m0wJ-2ajaA:
14.98
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.
2o55 PUTATIVE
GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Galdieria
sulphuraria) 		PF03009
(GDPD) 		4 MET A  35
CYH A  34
GLU A  36
PHE A  31
 None
 1.49A 3m0wB-2o55A:
undetectable
3m0wJ-2o55A:
undetectable		 3m0wB-2o55A:
16.12
3m0wJ-2o55A:
16.12
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.
2qvw GLP_546_48378_50642

(Giardia
intestinalis) 		PF00636
(Ribonuclease_3)
PF02170
(PAZ) 		4 CYH A   8
GLU A  49
PHE A  33
PHE A 321
 None
 1.28A 3m0wB-2qvwA:
undetectable
3m0wJ-2qvwA:
undetectable		 3m0wB-2qvwA:
8.65
3m0wJ-2qvwA:
8.65
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.
3doe ADP-RIBOSYLATION
FACTOR-LIKE PROTEIN
2-BINDING PROTEIN

(Homo sapiens) 		PF11527
(ARL2_Bind_BART) 		4 MET B 124
PHE B  52
PHE B  66
PHE B  44
 None
 1.43A 3m0wB-3doeB:
undetectable
3m0wJ-3doeB:
undetectable		 3m0wB-3doeB:
24.70
3m0wJ-3doeB:
24.70
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.
3epc PROTEIN VP2

(Enterovirus C) 		PF00073
(Rhv) 		4 MET 2 130
CYH 2 131
PHE 2 174
PHE 2 157
 None
 1.33A 3m0wB-3epc2:
undetectable
3m0wJ-3epc2:
undetectable		 3m0wB-3epc2:
16.85
3m0wJ-3epc2:
16.85
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.
3epf PROTEIN VP2

(Enterovirus C) 		PF00073
(Rhv) 		4 MET 2 130
CYH 2 131
PHE 2 173
PHE 2 156
 None
 1.35A 3m0wB-3epf2:
undetectable
3m0wJ-3epf2:
undetectable		 3m0wB-3epf2:
16.35
3m0wJ-3epf2:
16.35
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.
3mzb NICKEL-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		4 GLU A  86
PHE A 147
PHE A 141
PHE A  73
 GOL  A 515 (-4.2A)
GOL  A 515 (-4.5A)
None
None
 1.20A 3m0wB-3mzbA:
undetectable
3m0wJ-3mzbA:
undetectable		 3m0wB-3mzbA:
10.18
3m0wJ-3mzbA:
10.18
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.
3ny7 SULFATE TRANSPORTER

(Escherichia
coli) 		PF01740
(STAS) 		4 CYH A 510
GLU A 511
PHE A 502
PHE A 499
 None
 1.34A 3m0wB-3ny7A:
undetectable
3m0wJ-3ny7A:
undetectable		 3m0wB-3ny7A:
23.14
3m0wJ-3ny7A:
23.14
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.
3r4c HYDROLASE, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		4 MET A 160
GLU A 156
PHE A  97
PHE A  99
 None
 1.39A 3m0wB-3r4cA:
undetectable
3m0wJ-3r4cA:
undetectable		 3m0wB-3r4cA:
18.85
3m0wJ-3r4cA:
18.85
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.
3vxi DYP

(Bjerkandera
adusta) 		PF04261
(Dyp_perox) 		4 GLU A 358
PHE A 367
PHE A 220
PHE A 223
 HEM  A 501 (-3.8A)
HEM  A 501 (-4.6A)
None
HEM  A 501 (-4.3A)
 1.50A 3m0wB-3vxiA:
undetectable
3m0wJ-3vxiA:
undetectable		 3m0wB-3vxiA:
12.41
3m0wJ-3vxiA:
12.41
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.
4bbw SIALIDASE
(NEURAMINIDASE)

(Bacteroides
thetaiotaomicron) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		4 CYH A 176
GLU A 177
PHE A  47
PHE A  94
 None
 1.45A 3m0wB-4bbwA:
undetectable
3m0wJ-4bbwA:
undetectable		 3m0wB-4bbwA:
10.74
3m0wJ-4bbwA:
10.74
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.
4grx AMINOTRANSFERASE

(Paracoccus
denitrificans) 		PF00202
(Aminotran_3) 		4 MET A 378
CYH A 424
PHE A 356
PHE A 427
 None
 1.46A 3m0wB-4grxA:
undetectable
3m0wJ-4grxA:
undetectable		 3m0wB-4grxA:
13.44
3m0wJ-4grxA:
13.44
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.
5fwm HEAT SHOCK PROTEIN
HSP 90 BETA

(Homo sapiens) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 CYH A 589
GLU A 627
PHE A 499
PHE A 668
 None
 1.45A 3m0wB-5fwmA:
undetectable
3m0wJ-5fwmA:
undetectable		 3m0wB-5fwmA:
8.84
3m0wJ-5fwmA:
8.84
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.
5jwf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
gingivalis) 		PF10459
(Peptidase_S46) 		4 GLU A 406
PHE A 443
PHE A 527
PHE A 496
 None
 1.17A 3m0wB-5jwfA:
undetectable
3m0wJ-5jwfA:
undetectable		 3m0wB-5jwfA:
9.10
3m0wJ-5jwfA:
9.10
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.
5ojs TRANSCRIPTION-ASSOCI
ATED PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT) 		4 GLU T 705
PHE T 638
PHE T 736
PHE T 698
 None
 1.46A 3m0wB-5ojsT:
undetectable
3m0wJ-5ojsT:
undetectable		 3m0wB-5ojsT:
2.44
3m0wJ-5ojsT:
2.44
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01257
(2Fe-2S_thioredx)
PF01512
(Complex1_51K)
PF10589
(NADH_4Fe-4S) 		4 CYH A 316
GLU A 318
PHE A 527
PHE A 473
 None
None
SF4  A 601 ( 4.5A)
None
 1.37A 3m0wB-5xfaA:
undetectable
3m0wJ-5xfaA:
undetectable		 3m0wB-5xfaA:
9.22
3m0wJ-5xfaA:
9.22
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.
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)

(Homo sapiens) 		no annotation 4 MET A2019
CYH A2020
GLU A2018
PHE A1872
 None
 1.24A 3m0wB-6bq1A:
0.9
3m0wJ-6bq1A:
0.5		 3m0wB-6bq1A:
0.00
3m0wJ-6bq1A:
0.00
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.
6cfw MEMBRANE-BOUND
HYDROGENASE SUBUNIT
BETA
PROBABLE
MEMBRANE-BOUND
HYDROGENASE SUBUNIT
MBHJ

(Pyrococcus
furiosus) 		no annotation 4 MET K 120
GLU K 119
PHE K 140
PHE J 114
 None
 1.13A 3m0wB-6cfwK:
undetectable
3m0wJ-6cfwK:
undetectable		 3m0wB-6cfwK:
21.65
3m0wJ-6cfwK:
21.65
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.
6evj RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza A
virus) 		no annotation 4 MET B 507
GLU B 508
PHE B 496
PHE B 495
 None
 1.32A 3m0wB-6evjB:
undetectable
3m0wJ-6evjB:
undetectable		 3m0wB-6evjB:
15.65
3m0wJ-6evjB:
15.65
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.
6fnu METHYLENETETRAHYDROF
OLATE REDUCTASE 1

(Saccharomyces
cerevisiae) 		no annotation 4 GLU A 201
PHE A 197
PHE A 215
PHE A 283
 None
 1.26A 3m0wB-6fnuA:
undetectable
3m0wJ-6fnuA:
undetectable		 3m0wB-6fnuA:
19.15
3m0wJ-6fnuA:
19.15