SIMILAR PATTERNS OF AMINO ACIDS FOR 6QGB_C_BEZC701_0

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.
1cle CHOLESTEROL ESTERASE

([Candida]
cylindracea) 		PF00135
(COesterase) 		5 GLY A 124
SER A 209
SER A 301
PHE A 415
HIS A 449
 CLL  A 801 (-3.3A)
CLL  A 801 ( 2.8A)
None
None
CLL  A 801 (-4.8A)
 0.97A 6qgbC-1cleA:
10.2		 6qgbC-1cleA:
23.00
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.
1crl LIPASE

(Diutina rugosa) 		PF00135
(COesterase) 		5 GLY A 124
SER A 209
SER A 301
PHE A 415
HIS A 449
 None
 0.94A 6qgbC-1crlA:
10.3		 6qgbC-1crlA:
24.49
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.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		5 GLY A 124
SER A 209
SER A 301
PHE A 415
HIS A 449
 None
 0.88A 6qgbC-1gz7A:
3.2		 6qgbC-1gz7A:
23.86
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.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 GLY A 151
SER A 238
PHE A 330
PHE A 440
HIS A 480
 SO4  A 593 (-3.4A)
SO4  A 593 (-1.9A)
I40  A 997 ( 4.1A)
SO4  A 593 (-4.5A)
SO4  A 593 (-4.1A)
 1.19A 6qgbC-1qonA:
11.3		 6qgbC-1qonA:
23.49
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.
1w18 LEVANSUCRASE

(Gluconacetobacter
diazotrophicus) 		PF02435
(Glyco_hydro_68) 		5 GLY A 268
LEU A 203
SER A 228
PHE A 204
HIS A 285
 None
 1.41A 6qgbC-1w18A:
undetectable		 6qgbC-1w18A:
22.33
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.
3csk PROBABLE
DIPEPTIDYL-PEPTIDASE
3

(Saccharomyces
cerevisiae) 		PF03571
(Peptidase_M49) 		5 LEU A 422
ARG A 348
PHE A 382
SER A 384
PHE A 453
 None
 1.25A 6qgbC-3cskA:
0.1		 6qgbC-3cskA:
20.75
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.
3hbj FLAVONOID
3-O-GLUCOSYLTRANSFER
ASE

(Medicago
truncatula) 		PF00201
(UDPGT) 		5 GLY A 375
LEU A 206
SER A 151
PHE A 126
HIS A  26
 None
 1.21A 6qgbC-3hbjA:
0.0		 6qgbC-3hbjA:
20.53
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.
4be9 STEROL ESTERASE

(Ophiostoma
piceae) 		PF00135
(COesterase) 		5 GLY A 135
SER A 220
SER A 312
PHE A 427
HIS A 465
 1PE  A1553 (-3.3A)
1PE  A1553 (-2.9A)
None
1PE  A1553 (-4.7A)
None
 0.99A 6qgbC-4be9A:
3.7		 6qgbC-4be9A:
22.78
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.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 SER A 195
LEU A 391
PHE A 519
PHE A 199
HIS A 352
 None
 1.31A 6qgbC-4ph9A:
0.8		 6qgbC-4ph9A:
19.90
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.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		5 GLY A 125
SER A 204
LEU A 238
PHE A 286
HIS A 449
 None
 0.82A 6qgbC-5fv4A:
11.2		 6qgbC-5fv4A:
22.61
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.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		5 GLY A 126
SER A 204
PHE A 286
PHE A 407
HIS A 449
 None
 0.98A 6qgbC-5fv4A:
11.2		 6qgbC-5fv4A:
22.61
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.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		5 GLY A 126
SER A 204
PHE A 300
PHE A 407
HIS A 449
 None
 1.36A 6qgbC-5fv4A:
11.2		 6qgbC-5fv4A:
22.61
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.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 SER A 194
LEU A 390
PHE A 518
PHE A 198
HIS A 351
 None
COH  A 602 ( 4.5A)
None
None
None
 1.37A 6qgbC-5ikrA:
0.3		 6qgbC-5ikrA:
20.21
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.
5wdu ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 GLY G 451
LEU G 454
TRP G 338
PHE G 288
PHE G 391
 None
 1.20A 6qgbC-5wduG:
undetectable		 6qgbC-5wduG:
undetectable