SIMILAR PATTERNS OF AMINO ACIDS FOR 4F8Y_D_VK3D202_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
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.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 TRP A 608
TYR A 213
TYR A 182
LEU A 217
 None
 1.16A 4f8yC-1bf2A:
0.0
4f8yD-1bf2A:
0.0		 4f8yC-1bf2A:
13.77
4f8yD-1bf2A:
13.77
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.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		4 ARG A  58
TYR A 129
TYR A 128
LEU A 125
 None
 1.39A 4f8yC-1lfwA:
1.6
4f8yD-1lfwA:
1.4		 4f8yC-1lfwA:
16.98
4f8yD-1lfwA:
16.98
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.
1qor QUINONE
OXIDOREDUCTASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ARG A 263
TYR A  46
TYR A  52
LEU A  51
 SO4  A 328 ( 2.9A)
NDP  A 350 ( 4.1A)
SO4  A 328 (-4.9A)
None
 1.42A 4f8yC-1qorA:
2.7
4f8yD-1qorA:
0.0		 4f8yC-1qorA:
20.18
4f8yD-1qorA:
20.18
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 TRP A 703
ARG A 607
TYR A 629
TYR A 627
 None
 1.24A 4f8yC-1rrhA:
undetectable
4f8yD-1rrhA:
undetectable		 4f8yC-1rrhA:
11.89
4f8yD-1rrhA:
11.89
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.
1seb ENTEROTOXIN TYPE B

(Staphylococcus
aureus) 		PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C) 		4 ARG D 165
TYR D 217
TYR D 213
LEU D 214
 None
 1.43A 4f8yC-1sebD:
undetectable
4f8yD-1sebD:
undetectable		 4f8yC-1sebD:
21.65
4f8yD-1sebD:
21.65
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.
2e21 TRNA(ILE)-LYSIDINE
SYNTHASE

(Aquifex
aeolicus) 		PF01171
(ATP_bind_3) 		4 ARG A 231
TYR A 171
TYR A 170
LEU A  14
 None
 1.31A 4f8yC-2e21A:
undetectable
4f8yD-2e21A:
0.0		 4f8yC-2e21A:
19.57
4f8yD-2e21A:
19.57
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.
2iuj LIPOXYGENASE L-5

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 TRP A 698
ARG A 602
TYR A 624
TYR A 622
 None
 1.33A 4f8yC-2iujA:
undetectable
4f8yD-2iujA:
undetectable		 4f8yC-2iujA:
12.43
4f8yD-2iujA:
12.43
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.
2wc7 ALPHA AMYLASE,
CATALYTIC REGION

(Nostoc
punctiforme) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 TRP A 380
TYR A  64
TYR A  15
LEU A  68
 None
 0.92A 4f8yC-2wc7A:
0.1
4f8yD-2wc7A:
0.0		 4f8yC-2wc7A:
16.53
4f8yD-2wc7A:
16.53
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ARG A 549
TYR A 617
TYR A 514
LEU A 858
 None
 1.32A 4f8yC-2zxqA:
0.0
4f8yD-2zxqA:
undetectable		 4f8yC-2zxqA:
10.09
4f8yD-2zxqA:
10.09
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.
3j7a 40S RIBOSOMAL
PROTEIN ES10

(Plasmodium
falciparum) 		PF03501
(S10_plectin) 		4 ARG O  63
TYR O  23
TYR O  86
LEU O  87
 None
 1.45A 4f8yC-3j7aO:
undetectable
4f8yD-3j7aO:
undetectable		 4f8yC-3j7aO:
23.32
4f8yD-3j7aO:
23.32
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.
3jyn QUINONE
OXIDOREDUCTASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ARG A 263
TYR A  46
TYR A  52
LEU A  51
 NDP  A 350 (-4.1A)
None
None
None
 1.45A 4f8yC-3jynA:
2.5
4f8yD-3jynA:
3.1		 4f8yC-3jynA:
20.36
4f8yD-3jynA:
20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lcm PUTATIVE
OXIDOREDUCTASE

(Streptococcus
mutans) 		PF02525
(Flavodoxin_2) 		4 ARG A  55
TYR A 106
TYR A 108
LEU A 113
 NAP  A 198 ( 4.1A)
NAP  A 198 (-4.2A)
NAP  A 198 (-4.4A)
None
 0.42A 4f8yC-3lcmA:
34.7
4f8yD-3lcmA:
32.9		 4f8yC-3lcmA:
100.00
4f8yD-3lcmA:
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.
4psu ALPHA/BETA HYDROLASE

(Rhodopseudomonas
palustris) 		PF12697
(Abhydrolase_6) 		4 TRP A  14
ARG A  57
TYR A 199
LEU A 202
 None
None
12P  A 301 ( 4.7A)
None
 1.49A 4f8yC-4psuA:
3.3
4f8yD-4psuA:
2.2		 4f8yC-4psuA:
23.20
4f8yD-4psuA:
23.20
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.
4xnv P2Y PURINOCEPTOR 1,
RUBREDOXIN, P2Y
PURINOCEPTOR 1

(Clostridium
pasteurianum;
Homo sapiens) 		PF00001
(7tm_1)
PF00301
(Rubredoxin) 		4 ARG A 310
TYR A  58
TYR A 111
LEU A 107
 None
 1.13A 4f8yC-4xnvA:
undetectable
4f8yD-4xnvA:
undetectable		 4f8yC-4xnvA:
16.95
4f8yD-4xnvA:
16.95
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.
5hy5 TRYPTOPHAN
6-HALOGENASE

(Streptomyces
toxytricini) 		PF04820
(Trp_halogenase) 		4 TRP A  70
ARG A 140
TYR A 176
TYR A 174
 None
 1.16A 4f8yC-5hy5A:
2.0
4f8yD-5hy5A:
2.0		 4f8yC-5hy5A:
15.97
4f8yD-5hy5A:
15.97
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.
5j9c PEROXIREDOXIN ASP F3

(Aspergillus
fumigatus) 		PF08534
(Redoxin) 		4 TRP A  43
TYR A  37
TYR A  18
LEU A 112
 None
 1.27A 4f8yC-5j9cA:
undetectable
4f8yD-5j9cA:
undetectable		 4f8yC-5j9cA:
24.88
4f8yD-5j9cA:
24.88
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.
5lv9 THERMOPHILIC
TRYPTOPHAN
HALOGENASE

(Streptomyces
violaceusniger) 		PF04820
(Trp_halogenase) 		4 TRP A  66
ARG A 136
TYR A 172
TYR A 170
 None
 1.36A 4f8yC-5lv9A:
2.3
4f8yD-5lv9A:
2.2		 4f8yC-5lv9A:
17.03
4f8yD-5lv9A:
17.03
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.
5oqm MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 31,MEDIATOR
OF RNA POLYMERASE II
TRANSCRIPTION
SUBUNIT 31

(Saccharomyces
cerevisiae) 		no annotation 4 ARG o  25
TYR o  66
TYR o  63
LEU o  64
 None
 1.40A 4f8yC-5oqmo:
undetectable
4f8yD-5oqmo:
undetectable		 4f8yC-5oqmo:
15.26
4f8yD-5oqmo:
15.26
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.
5sva MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 31

(Saccharomyces
cerevisiae) 		PF05669
(Med31) 		4 ARG X  22
TYR X  63
TYR X  60
LEU X  61
 None
 1.44A 4f8yC-5svaX:
undetectable
4f8yD-5svaX:
undetectable		 4f8yC-5svaX:
22.22
4f8yD-5svaX:
22.22
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.
5t44 FRIZZLED-7

(Homo sapiens) 		PF01392
(Fz) 		4 TRP A 112
ARG A 115
TYR A  76
LEU A  72
 None
 1.41A 4f8yC-5t44A:
undetectable
4f8yD-5t44A:
undetectable		 4f8yC-5t44A:
22.06
4f8yD-5t44A:
22.06
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.
5tiw SULFOTRANSFERASE

(Schistosoma
haematobium) 		no annotation 4 TRP A  67
TYR A  51
TYR A  95
LEU A  92
 None
 1.38A 4f8yC-5tiwA:
undetectable
4f8yD-5tiwA:
undetectable		 4f8yC-5tiwA:
20.68
4f8yD-5tiwA:
20.68
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.
5tiz SULFOTRANSFERASE

(Schistosoma
japonicum) 		no annotation 4 TRP A  52
TYR A  36
TYR A  82
LEU A  79
 None
 1.43A 4f8yC-5tizA:
undetectable
4f8yD-5tizA:
undetectable		 4f8yC-5tizA:
22.34
4f8yD-5tizA:
22.34