SIMILAR PATTERNS OF AMINO ACIDS FOR 6CBD_A_TRPA901_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.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 TYR B 545
LYS B 544
LEU B 667
GLU B 671
 None
 1.31A 6cbdA-1gl9B:
4.1		 6cbdA-1gl9B:
22.12
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.
1h4p GLUCAN
1,3-BETA-GLUCOSIDASE
I/II

(Saccharomyces
cerevisiae) 		PF00150
(Cellulase) 		4 TYR A 220
LYS A 214
LEU A 156
GLU A 153
 None
 1.19A 6cbdA-1h4pA:
0.0		 6cbdA-1h4pA:
17.63
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.
1lgf P450 MONOOXYGENASE

(Amycolatopsis
orientalis) 		PF00067
(p450) 		4 TYR A 217
LYS A 102
LEU A 226
GLU A 225
 None
 1.45A 6cbdA-1lgfA:
undetectable		 6cbdA-1lgfA:
18.40
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.
1oah CYTOCHROME C NITRITE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF02335
(Cytochrom_C552) 		4 TYR A 112
LYS A  81
GLU A 114
TYR A  79
 HEM  A1520 (-4.9A)
None
CA  A1526 ( 3.4A)
None
 1.46A 6cbdA-1oahA:
undetectable		 6cbdA-1oahA:
19.70
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.
1pml TISSUE PLASMINOGEN
ACTIVATOR KRINGLE 2

(Homo sapiens) 		PF00051
(Kringle) 		4 TYR A   2
LYS A  59
GLU A  17
TYR A  74
 None
 1.37A 6cbdA-1pmlA:
undetectable		 6cbdA-1pmlA:
7.13
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.
1ybe NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Agrobacterium
tumefaciens) 		PF04095
(NAPRTase) 		4 TYR A  37
LYS A  38
LEU A 251
GLU A 250
 None
 1.22A 6cbdA-1ybeA:
0.0		 6cbdA-1ybeA:
19.82
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.
2eq5 228AA LONG
HYPOTHETICAL
HYDANTOIN RACEMASE

(Pyrococcus
horikoshii) 		PF01177
(Asp_Glu_race) 		4 LYS A 215
LEU A  34
GLU A  33
TYR A   4
 None
 1.26A 6cbdA-2eq5A:
2.9		 6cbdA-2eq5A:
15.02
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.
2hiy HYPOTHETICAL PROTEIN

(Streptococcus
pneumoniae) 		PF08002
(DUF1697) 		4 TYR A   4
LYS A  53
LEU A  60
GLU A 107
 None
 1.40A 6cbdA-2hiyA:
1.3		 6cbdA-2hiyA:
12.29
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.
2i71 HYPOTHETICAL PROTEIN

(Sulfolobus
solfataricus) 		PF09455
(Cas_DxTHG) 		4 TYR A 354
LEU A 326
GLU A 328
TYR A 329
 None
 1.38A 6cbdA-2i71A:
2.8		 6cbdA-2i71A:
18.95
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.
2quq CENTROMERE
DNA-BINDING PROTEIN
COMPLEX CBF3 SUBUNIT
B

(Saccharomyces
cerevisiae) 		PF16846
(Cep3) 		4 TYR A 105
LEU A 192
GLU A 190
TYR A 191
 None
 1.30A 6cbdA-2quqA:
0.0		 6cbdA-2quqA:
20.88
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.
2zqb RIBONUCLEASE HI

(Shewanella
oneidensis) 		PF00075
(RNase_H) 		4 TYR A  30
LYS A   5
LEU A  61
GLU A  63
 None
 1.38A 6cbdA-2zqbA:
5.5		 6cbdA-2zqbA:
11.46
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.
3a1n NDP-SUGAR EPIMERASE

(Thermoplasma
volcanium) 		PF01370
(Epimerase) 		4 TYR A 150
LEU A  96
GLU A  97
TYR A  93
 None
 1.45A 6cbdA-3a1nA:
4.3		 6cbdA-3a1nA:
17.08
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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 TYR A 425
LEU A 207
GLU A 211
TYR A 208
 None
 1.05A 6cbdA-3glqA:
undetectable		 6cbdA-3glqA:
20.79
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.
3i23 OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Enterococcus
faecalis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 TYR A 309
LYS A 313
LEU A  68
GLU A  67
 None
 1.17A 6cbdA-3i23A:
4.9		 6cbdA-3i23A:
18.76
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.
3tco THIOREDOXIN (TRXA-1)

(Sulfolobus
solfataricus) 		PF00085
(Thioredoxin) 		4 TYR A  74
LYS A  73
LEU A 124
GLU A 121
 None
 1.48A 6cbdA-3tcoA:
undetectable		 6cbdA-3tcoA:
8.94
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.
4ay2 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58

(Homo sapiens) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		4 LYS A 610
LEU A 741
GLU A 716
TYR A 715
 None
 1.42A 6cbdA-4ay2A:
undetectable		 6cbdA-4ay2A:
21.82
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.
4i2w PROTEIN UNC-45

(Caenorhabditis
elegans) 		PF11701
(UNC45-central) 		4 TYR A 413
LYS A 416
LEU A 356
GLU A 358
 None
 1.30A 6cbdA-4i2wA:
undetectable		 6cbdA-4i2wA:
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.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 4 TYR A 351
LYS A 401
LEU A 347
TYR A 171
 None
 1.48A 6cbdA-4jzaA:
2.0		 6cbdA-4jzaA:
22.09
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		4 LYS A 389
LEU A 363
GLU A 362
TYR A 366
 None
 1.48A 6cbdA-4n78A:
undetectable		 6cbdA-4n78A:
21.17
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.
4on9 PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX58

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 LYS A 610
LEU A 741
GLU A 716
TYR A 715
 None
 1.23A 6cbdA-4on9A:
2.2		 6cbdA-4on9A:
20.98
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.
4qfk ABC TRANSPORTER
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Pseudoalteromonas
sp. SM9913) 		no annotation 4 TYR H 232
LYS H 234
LEU H  78
GLU H  77
 None
 1.28A 6cbdA-4qfkH:
undetectable		 6cbdA-4qfkH:
21.68
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.
5gu6 ENDOPLASMIC
RETICULUM RESIDENT
PROTEIN 44

(Homo sapiens) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		4 TYR A 368
LYS A  77
LEU A  81
GLU A  93
 None
 1.23A 6cbdA-5gu6A:
undetectable		 6cbdA-5gu6A:
18.54
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.
5h3h ABHYDROLASE
DOMAIN-CONTAINING
PROTEIN

(Exiguobacterium
antarcticum) 		PF00561
(Abhydrolase_1)
PF08386
(Abhydrolase_4) 		4 LYS A 267
LEU A  44
GLU A  47
TYR A  49
 None
 1.37A 6cbdA-5h3hA:
3.7		 6cbdA-5h3hA:
14.74
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.
5m54 CALMODULIN-REGULATED
SPECTRIN-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF08683
(CAMSAP_CKK) 		4 TYR C1523
LYS C1487
LEU C1512
GLU C1516
 None
 1.46A 6cbdA-5m54C:
undetectable		 6cbdA-5m54C:
8.81
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 TYR A1193
LYS A1197
LEU A1173
GLU A1174
 None
 1.06A 6cbdA-5m5pA:
2.2		 6cbdA-5m5pA:
18.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vm9 PROTEIN ARGONAUTE-3

(Homo sapiens) 		no annotation 5 TYR A 655
LYS A 661
LEU A 695
GLU A 696
TYR A 699
 None
 1.00A 6cbdA-5vm9A:
57.5		 6cbdA-5vm9A:
79.75
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.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens) 		no annotation 5 TYR A 654
LYS A 660
LEU A 694
GLU A 695
TYR A 698
 None
None
IPH  A 901 (-3.9A)
IPH  A 901 (-3.6A)
IPH  A 901 ( 4.9A)
 0.89A 6cbdA-5weaA:
57.8		 6cbdA-5weaA:
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.
6eyy ACRIIA6

(Streptococcus
phage 73) 		no annotation 4 TYR A  79
LEU A  10
GLU A   9
TYR A  92
 None
 1.47A 6cbdA-6eyyA:
undetectable		 6cbdA-6eyyA:
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.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 4 TYR A 616
LYS A 612
LEU A 566
GLU A 563
 None
 1.43A 6cbdA-6f8zA:
undetectable		 6cbdA-6f8zA:
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.
6fdt -

(-) 		no annotation 4 TYR A 349
LYS A 351
LEU A 379
GLU A 380
 None
 0.90A 6cbdA-6fdtA:
undetectable		 6cbdA-6fdtA:
undetectable