SIMILAR PATTERNS OF AMINO ACIDS FOR 4P7N_A_GCSA703

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.
1aur CARBOXYLESTERASE

(Pseudomonas
fluorescens) 		PF02230
(Abhydrolase_2) 		4 LEU A 138
PHE A 113
LEU A 202
GLU A 205
 None
 1.38A 4p7nA-1aurA:
0.0		 4p7nA-1aurA:
21.37
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.
1k4y LIVER
CARBOXYLESTERASE

(Oryctolagus
cuniculus) 		PF00135
(COesterase) 		4 LEU A 417
PHE A 416
LEU A 424
GLU A 353
 None
 1.20A 4p7nA-1k4yA:
0.6		 4p7nA-1k4yA:
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.
1w8x PROTEIN P31

(Salmonella
virus PRD1) 		PF08948
(DUF1859) 		4 LEU N 105
PHE N  52
LEU N  92
GLU N  37
 None
 1.44A 4p7nA-1w8xN:
undetectable		 4p7nA-1w8xN:
16.43
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 LEU A 268
PHE A 350
LEU A 188
GLU A 343
 None
 1.50A 4p7nA-2b24A:
0.0		 4p7nA-2b24A:
22.25
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.
2cc1 BETA-LACTAMASE

(Mycolicibacterium
fortuitum) 		PF13354
(Beta-lactamase2) 		4 LEU A  43
PHE A  66
LEU A  33
GLU A  37
 None
 1.37A 4p7nA-2cc1A:
0.0		 4p7nA-2cc1A:
22.67
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.
2lcu BC28.1

(Babesia canis) 		no annotation 4 LEU A  27
PHE A 159
LEU A 119
GLU A 118
 None
 1.37A 4p7nA-2lcuA:
undetectable		 4p7nA-2lcuA:
21.66
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.
2rau PUTATIVE ESTERASE

(Sulfolobus
solfataricus) 		PF12146
(Hydrolase_4) 		4 LEU A 285
PHE A 287
LEU A 279
GLU A 282
 PEG  A 362 ( 4.7A)
PEG  A 362 (-4.2A)
None
None
 1.36A 4p7nA-2rauA:
0.8		 4p7nA-2rauA:
22.49
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.
2wk8 CAI-1 AUTOINDUCER
SYNTHASE

(Vibrio cholerae) 		PF00155
(Aminotran_1_2) 		4 LEU A 218
PHE A  99
LEU A 207
GLU A 203
 None
 1.46A 4p7nA-2wk8A:
1.5		 4p7nA-2wk8A:
24.82
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.
3g1z PUTATIVE LYSYL-TRNA
SYNTHETASE

(Salmonella
enterica) 		PF00152
(tRNA-synt_2) 		4 LEU A 283
PHE A 262
LEU A 222
GLU A  78
 None
 1.40A 4p7nA-3g1zA:
0.0		 4p7nA-3g1zA:
23.44
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.
4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 LEU A 448
PHE A 458
LEU A 331
GLU A 410
 None
 1.48A 4p7nA-4b3iA:
1.2		 4p7nA-4b3iA:
19.20
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.
4mx2 ADENYLOSUCCINATE
LYASE

(Leishmania
donovani) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		4 LEU A  67
PHE A  98
LEU A  90
GLU A  70
 None
 1.46A 4p7nA-4mx2A:
undetectable		 4p7nA-4mx2A:
21.39
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.
4p1n ATG1 TMIT

(Kluyveromyces
marxianus) 		PF12063
(DUF3543) 		4 LEU A 748
PHE A 588
LEU A 662
GLU A 665
 None
 1.21A 4p7nA-4p1nA:
undetectable		 4p7nA-4p1nA:
21.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p7l POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF14883
(GHL13) 		4 LEU A 542
PHE A 553
LEU A 575
GLU A 576
 None
 0.14A 4p7nA-4p7lA:
60.7		 4p7nA-4p7lA:
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.
5but KTR SYSTEM POTASSIUM
UPTAKE PROTEIN B

(Bacillus
subtilis) 		PF02386
(TrkH) 		4 LEU I  63
PHE I  52
LEU I 397
GLU I 383
 None
 1.42A 4p7nA-5butI:
undetectable		 4p7nA-5butI:
21.93
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.
5f3y ANKYRIN REPEAT AND
SAM
DOMAIN-CONTAINING
PROTEIN 4B
UNCONVENTIONAL
MYOSIN-VIIB

(Mus musculus) 		PF00784
(MyTH4)
no annotation 		4 LEU B 270
PHE A1227
LEU A1386
GLU A1297
 None
 1.33A 4p7nA-5f3yB:
undetectable		 4p7nA-5f3yB:
14.44
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.
5idu ACYL-COA
DEHYDROGENASE DOMAIN
PROTEIN

(Paraburkholderia
phymatum) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 LEU A  84
PHE A  17
LEU A 261
GLU A  87
 None
None
EDO  A 502 (-4.9A)
EDO  A 502 (-2.6A)
 1.32A 4p7nA-5iduA:
undetectable		 4p7nA-5iduA:
21.40
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.
5jsc PUTATIVE ACYL-COA
DEHYDROGENASE

(Paraburkholderia
xenovorans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 LEU A  85
PHE A  18
LEU A 262
GLU A  88
 None
None
EDO  A 502 (-4.8A)
EDO  A 502 (-2.7A)
 1.29A 4p7nA-5jscA:
undetectable		 4p7nA-5jscA:
22.76
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.
5l08 CASPASE-8

(Homo sapiens) 		PF01335
(DED) 		4 LEU A  27
PHE A  24
LEU A 152
GLU A 147
 None
 1.45A 4p7nA-5l08A:
undetectable		 4p7nA-5l08A:
18.35
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.
5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		4 LEU A 810
PHE A 919
LEU A 985
GLU A 809
 None
 1.30A 4p7nA-5t8vA:
undetectable		 4p7nA-5t8vA:
13.74
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.
5wno RECEPTOR
TYROSINE-PROTEIN
KINASE LET-23

(Caenorhabditis
elegans) 		no annotation 4 LEU A 968
PHE A 974
LEU A1163
GLU A1166
 None
 1.20A 4p7nA-5wnoA:
undetectable		 4p7nA-5wnoA:
14.59