SIMILAR PATTERNS OF AMINO ACIDS FOR 4F8Y_A_VK3A202_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 TYR A 213
TYR A 182
LEU A 217
TRP A 608
 None
 1.19A 4f8yA-1bf2A:
0.0
4f8yB-1bf2A:
0.0		 4f8yA-1bf2A:
13.77
4f8yB-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
 1.37A 4f8yA-1lfwA:
1.6
4f8yB-1lfwA:
1.5		 4f8yA-1lfwA:
16.98
4f8yB-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
 1.46A 4f8yA-1qorA:
0.0
4f8yB-1qorA:
0.0		 4f8yA-1qorA:
20.18
4f8yB-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 ARG A 607
TYR A 629
TYR A 627
TRP A 703
 None
 1.35A 4f8yA-1rrhA:
0.0
4f8yB-1rrhA:
0.0		 4f8yA-1rrhA:
11.89
4f8yB-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.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ARG A 614
TYR A 636
TYR A 634
TRP A 710
 None
 1.28A 4f8yA-2iukA:
undetectable
4f8yB-2iukA:
undetectable		 4f8yA-2iukA:
12.27
4f8yB-2iukA:
12.27
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 TYR A  64
TYR A  15
LEU A  68
TRP A 380
 None
 0.95A 4f8yA-2wc7A:
0.1
4f8yB-2wc7A:
0.7		 4f8yA-2wc7A:
16.53
4f8yB-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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 ARG A 177
TYR A 186
LEU A 146
TRP A 185
 None
 1.46A 4f8yA-3glqA:
4.0
4f8yB-3glqA:
0.0		 4f8yA-3glqA:
16.77
4f8yB-3glqA:
16.77
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
 0.18A 4f8yA-3lcmA:
35.5
4f8yB-3lcmA:
33.2		 4f8yA-3lcmA:
100.00
4f8yB-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.
3oee ATP SYNTHASE SUBUNIT
ALPHA

(Saccharomyces
cerevisiae) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 ARG A 306
TYR A 246
TYR A 280
LEU A 283
 None
 1.39A 4f8yA-3oeeA:
0.1
4f8yB-3oeeA:
0.6		 4f8yA-3oeeA:
16.63
4f8yB-3oeeA:
16.63
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT J
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli) 		no annotation 4 ARG J 160
TYR N  98
TYR N 145
LEU N  95
 None
 1.37A 4f8yA-3rkoJ:
undetectable
4f8yB-3rkoJ:
undetectable		 4f8yA-3rkoJ:
25.33
4f8yB-3rkoJ:
25.33
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.
3vr0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09754
(PAC2) 		4 ARG A  97
TYR A 165
TYR A 164
LEU A 161
 None
 1.09A 4f8yA-3vr0A:
2.1
4f8yB-3vr0A:
2.1		 4f8yA-3vr0A:
22.85
4f8yB-3vr0A:
22.85
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.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ARG A 189
TYR A 327
TYR A 182
LEU A 328
 None
 1.42A 4f8yA-4c2kA:
undetectable
4f8yB-4c2kA:
undetectable		 4f8yA-4c2kA:
17.51
4f8yB-4c2kA:
17.51
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.
5lk4 MSCARLET

(Discosoma sp.) 		PF01353
(GFP) 		4 ARG A 198
TYR A  84
TYR A 182
LEU A 158
 NRQ  A  67 ( 4.3A)
None
None
None
 1.35A 4f8yA-5lk4A:
undetectable
4f8yB-5lk4A:
undetectable		 4f8yA-5lk4A:
21.28
4f8yB-5lk4A:
21.28
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 ARG B 209
TYR A 362
TYR A 410
LEU A 360
 None
 1.50A 4f8yA-5mkkB:
undetectable
4f8yB-5mkkB:
undetectable		 4f8yA-5mkkB:
13.67
4f8yB-5mkkB:
13.67
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 TYR A  51
TYR A  95
LEU A  92
TRP A  67
 None
 1.32A 4f8yA-5tiwA:
undetectable
4f8yB-5tiwA:
undetectable		 4f8yA-5tiwA:
20.68
4f8yB-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.
6bff AMINOGLYCOSIDE
ACETYLTRANSFERASE

(Escherichia
coli) 		no annotation 4 TYR A  75
TYR A  85
LEU A  81
TRP A  53
 None
 1.15A 4f8yA-6bffA:
undetectable
4f8yB-6bffA:
undetectable		 4f8yA-6bffA:
21.30
4f8yB-6bffA:
21.30
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.
6brs PUTATIVE ZINC
PROTEASE

(Pectobacterium
atrosepticum) 		no annotation 4 ARG A 724
TYR A 700
TYR A 620
LEU A 544
 None
 1.33A 4f8yA-6brsA:
undetectable
4f8yB-6brsA:
undetectable		 4f8yA-6brsA:
18.48
4f8yB-6brsA:
18.48
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 4 ARG A 316
TYR A 416
TYR A 412
LEU A 358
 None
 0.93A 4f8yA-6fhwA:
undetectable
4f8yB-6fhwA:
undetectable		 4f8yA-6fhwA:
18.82
4f8yB-6fhwA:
18.82