SIMILAR PATTERNS OF AMINO ACIDS FOR 5MXB_A_ML1A220_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1e09 PRU AV 1

(Prunus avium) 		PF00407
(Bet_v_1) 		5 VAL A  23
HIS A  69
TYR A  81
TYR A  83
THR A 102
 None
 0.66A 5mxbA-1e09A:
20.9		 5mxbA-1e09A:
47.00
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.
1gll GLYCEROL KINASE

(Escherichia
coli) 		no annotation 5 LEU Y 406
VAL Y 408
LEU Y 250
THR Y 388
VAL Y 391
 None
 1.27A 5mxbA-1gllY:
undetectable		 5mxbA-1gllY:
10.79
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.
1ns3 NS3 PROTEASE

(Hepacivirus C) 		PF02907
(Peptidase_S29) 		5 LEU A 106
VAL A 113
LEU A 127
TYR A 105
VAL A 151
 None
 1.31A 5mxbA-1ns3A:
0.1		 5mxbA-1ns3A:
15.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1txc PATHOGENESIS-RELATED
CLASS 10 PROTEIN
SPE-16

(Pachyrhizus
erosus) 		PF00407
(Bet_v_1) 		5 LEU A  22
TYR A  80
TYR A  82
THR A 101
VAL A 115
 None
 0.51A 5mxbA-1txcA:
21.8		 5mxbA-1txcA:
62.50
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.
1zbs HYPOTHETICAL PROTEIN
PG1100

(Porphyromonas
gingivalis) 		PF01869
(BcrAD_BadFG) 		5 LEU A 116
VAL A 244
LEU A 153
TYR A 248
VAL A 255
 None
 1.32A 5mxbA-1zbsA:
0.0		 5mxbA-1zbsA:
14.55
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.
2zf5 GLYCEROL KINASE

(Thermococcus
kodakarensis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU O 397
VAL O 399
LEU O 244
THR O 381
VAL O 384
 None
 1.46A 5mxbA-2zf5O:
0.1		 5mxbA-2zf5O:
10.76
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.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 LEU A 405
VAL A 407
LEU A 249
THR A 387
VAL A 390
 None
 1.33A 5mxbA-3g25A:
0.0		 5mxbA-3g25A:
10.47
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.
3h4h COPPER-CONTAINING
NITRITE REDUCTASE

(Alcaligenes
faecalis) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 TYR A 134
LEU A  81
VAL A  39
LEU A 157
HIS A  28
 None
 1.49A 5mxbA-3h4hA:
0.0		 5mxbA-3h4hA:
16.39
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.
3kxp ALPHA-(N-ACETYLAMINO
METHYLENE)SUCCINIC
ACID HYDROLASE

(Mesorhizobium
loti) 		PF12697
(Abhydrolase_6) 		5 LEU A 211
VAL A 212
LEU A 248
TYR A 134
VAL A 233
 None
 1.28A 5mxbA-3kxpA:
undetectable		 5mxbA-3kxpA:
15.47
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.
4by6 GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF04054
(Not1) 		5 LEU A1992
VAL A1989
LEU A1940
HIS A1828
THR A2041
 None
 1.47A 5mxbA-4by6A:
undetectable		 5mxbA-4by6A:
10.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9c MAJOR STRAWBERRY
ALLERGEN FRA A 1-E

(Fragaria x
ananassa) 		PF00407
(Bet_v_1) 		5 VAL A  24
HIS A  70
TYR A  82
TYR A  84
THR A 103
 None
 0.67A 5mxbA-4c9cA:
20.9		 5mxbA-4c9cA:
32.00
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.
4hfv UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		PF16848
(SoDot-IcmSS) 		5 LEU A 129
VAL A  75
LEU A 109
THR A  58
VAL A  54
 None
 1.22A 5mxbA-4hfvA:
undetectable		 5mxbA-4hfvA:
16.32
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 TYR A 603
LEU A  72
TYR A 987
THR A 985
VAL A 983
 NAG  A1137 (-4.7A)
None
None
None
None
 1.40A 5mxbA-4iugA:
undetectable		 5mxbA-4iugA:
5.77
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.
4leh BILE ACID 7-ALPHA
DEHYDRATASE, BAIE

([Clostridium]
scindens) 		PF13577
(SnoaL_4) 		5 TYR A  57
LEU A  37
LEU A  29
THR A  71
VAL A  70
 SO4  A 203 (-4.6A)
None
None
None
None
 1.17A 5mxbA-4lehA:
undetectable		 5mxbA-4lehA:
18.72
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.
4y23 GAMMA GLUTAMYL
TRANSPEPTIDASE,GAMMA
-GLUTAMYLTRANSPEPTID
ASE

(Bacillus
licheniformis) 		PF01019
(G_glu_transpept) 		5 TYR A  75
LEU A 433
LEU A 261
TYR A 431
THR A 224
 None
 1.32A 5mxbA-4y23A:
undetectable		 5mxbA-4y23A:
10.69
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.
5euf PROTEASE

(Helicobacter
pylori) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 LEU A 141
HIS A 208
TYR A  62
TYR A 212
THR A 116
 None
 1.32A 5mxbA-5eufA:
1.5		 5mxbA-5eufA:
11.51
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.
5kxj L-ASPARTATE OXIDASE

(Salmonella
enterica) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 202
VAL A 376
LEU A 499
THR A 365
VAL A 367
 None
 1.45A 5mxbA-5kxjA:
undetectable		 5mxbA-5kxjA:
10.30
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.
6cp0 -

(-) 		no annotation 5 LEU A 120
VAL A 119
LEU A 483
TYR A 478
THR A 474
 None
 1.42A 5mxbA-6cp0A:
undetectable		 5mxbA-6cp0A:
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.
6g3u -

(-) 		no annotation 5 LEU A 546
VAL A 545
LEU A 498
HIS A 494
THR A 381
 None
 1.46A 5mxbA-6g3uA:
undetectable		 5mxbA-6g3uA:
undetectable