SIMILAR PATTERNS OF AMINO ACIDS FOR 6QGB_F_BEZF701_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)
 0.96A 6qgbF-1cleA:
10.0		 6qgbF-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
 0.91A 6qgbF-1crlA:
10.4		 6qgbF-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
 0.86A 6qgbF-1gz7A:
8.7		 6qgbF-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)
 1.21A 6qgbF-1qonA:
0.0		 6qgbF-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.
2nrk HYPOTHETICAL PROTEIN
GRPB

(Enterococcus
faecalis) 		PF04229
(GrpB) 		5 GLY A  38
SER A  41
LEU A  45
ALA A 128
PHE A 117
 None
 1.50A 6qgbF-2nrkA:
undetectable		 6qgbF-2nrkA:
13.80
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.
3a9g PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrobaculum
aerophilum) 		PF07995
(GSDH) 		5 GLY A 127
LEU A 109
ALA A 111
ARG A 123
PHE A  82
 None
 1.03A 6qgbF-3a9gA:
undetectable		 6qgbF-3a9gA:
20.30
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
 1.24A 6qgbF-3cskA:
undetectable		 6qgbF-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.
3ejn SUSD HOMOLOG

(Bacteroides
fragilis) 		PF12771
(SusD-like_2) 		5 SER A 367
LEU A 382
ALA A 375
ARG A 321
PHE A 274
 None
 1.07A 6qgbF-3ejnA:
0.2		 6qgbF-3ejnA:
21.77
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.
3fhl PUTATIVE
OXIDOREDUCTASE

(Bacteroides
fragilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A  15
LEU A  31
ALA A  49
PHE A  11
SER A  42
 None
 1.44A 6qgbF-3fhlA:
0.0		 6qgbF-3fhlA:
21.26
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
 1.24A 6qgbF-3hbjA:
3.2		 6qgbF-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.
3whe HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 SER A 228
ALA A 138
TRP A 153
SER A 136
HIS A 183
 None
 1.48A 6qgbF-3wheA:
undetectable		 6qgbF-3wheA:
21.89
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
 0.96A 6qgbF-4be9A:
8.4		 6qgbF-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.
4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN

(Granulicella
tundricola) 		PF07883
(Cupin_2) 		5 GLY A  97
LEU A  61
ALA A 108
PHE A  44
HIS A  53
 None
None
None
None
MN  A1132 (-3.3A)
 1.02A 6qgbF-4bifA:
undetectable		 6qgbF-4bifA:
15.08
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.
4n3n EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN,
EIF5B(517-C)

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		5 GLY A 530
SER A 632
LEU A 617
ALA A 615
HIS A 598
 None
 1.49A 6qgbF-4n3nA:
undetectable		 6qgbF-4n3nA:
21.61
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.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		6 SER A 195
LEU A 391
ALA A 203
PHE A 519
PHE A 199
HIS A 352
 None
None
HEM  A 602 ( 3.9A)
None
None
None
 1.42A 6qgbF-4ph9A:
undetectable		 6qgbF-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.
4q3m MGS-M4

(unidentified) 		PF00248
(Aldo_ket_red) 		5 GLY A 134
LEU A 146
ALA A 114
PHE A 121
PHE A 138
 None
 1.39A 6qgbF-4q3mA:
undetectable		 6qgbF-4q3mA:
17.95
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.
4w7h CARBONYL REDUCTASE

(Sphingomonas
sp. A1) 		PF13561
(adh_short_C2) 		5 SER A 147
LEU A  89
ALA A 128
TRP A 178
HIS A 175
 None
 1.23A 6qgbF-4w7hA:
undetectable		 6qgbF-4w7hA:
18.20
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.
4zaa FDC1

(Aspergillus
niger) 		PF01977
(UbiD) 		5 GLY A  82
LEU A  17
ALA A  16
PHE A  13
HIS A  87
 None
None
4M4  A 607 (-3.3A)
None
None
 1.25A 6qgbF-4zaaA:
undetectable		 6qgbF-4zaaA:
22.89
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.
5cm5 HYDROXYETHYLTHIAZOLE
KINASE

(Staphylococcus
aureus) 		PF02110
(HK) 		5 GLY A 187
LEU A 182
ALA A 222
PHE A  25
PHE A 218
 None
 1.39A 6qgbF-5cm5A:
2.7		 6qgbF-5cm5A:
19.30
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
LEU A 238
ALA A 236
PHE A 286
HIS A 449
 None
 0.99A 6qgbF-5fv4A:
5.5		 6qgbF-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 125
SER A 204
LEU A 238
PHE A 286
HIS A 449
 None
 0.81A 6qgbF-5fv4A:
5.5		 6qgbF-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
 0.99A 6qgbF-5fv4A:
5.5		 6qgbF-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
 1.39A 6qgbF-5fv4A:
5.5		 6qgbF-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.
5gam PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08082
(PRO8NT)
PF08083
(PROCN) 		5 GLY A 575
LEU A 165
ALA A 164
PHE A 161
HIS A 146
 None
 1.08A 6qgbF-5gamA:
undetectable		 6qgbF-5gamA:
19.53
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.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 SER A 194
ALA A 202
PHE A 518
PHE A 198
HIS A 351
 None
COH  A 602 (-2.8A)
None
None
None
 1.36A 6qgbF-5ikrA:
undetectable		 6qgbF-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.
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
 1.40A 6qgbF-5ikrA:
undetectable		 6qgbF-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
 1.25A 6qgbF-5wduG:
undetectable		 6qgbF-5wduG:
undetectable
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.
6ghd -

(-) 		no annotation 5 GLY D  47
LEU D  81
ALA D  77
TRP D  62
PHE D  59
 None
 1.44A 6qgbF-6ghdD:
undetectable		 6qgbF-6ghdD:
undetectable