SIMILAR PATTERNS OF AMINO ACIDS FOR 3WFA_B_EDTB802

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.
1qgi PROTEIN
(CHITOSANASE)

(Bacillus
circulans) 		PF01374
(Glyco_hydro_46) 		4 ARG A 137
ASN A 132
TYR A  47
LYS A  45
 None
 1.49A 3wfaA-1qgiA:
undetectable
3wfaB-1qgiA:
undetectable		 3wfaA-1qgiA:
18.23
3wfaB-1qgiA:
18.23
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.
1v4g GLUTAMATE--CYSTEINE
LIGASE

(Escherichia
coli) 		PF04262
(Glu_cys_ligase) 		4 TYR A 131
ARG A 138
ASN A 289
TYR A 274
 None
 1.47A 3wfaA-1v4gA:
0.0
3wfaB-1v4gA:
0.0		 3wfaA-1v4gA:
21.27
3wfaB-1v4gA:
21.27
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.
1vjv UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 6

(Saccharomyces
cerevisiae) 		PF00443
(UCH) 		4 TYR A 128
ARG A 129
ASP A 135
ASN A 131
 None
 1.36A 3wfaA-1vjvA:
0.0
3wfaB-1vjvA:
0.0		 3wfaA-1vjvA:
20.95
3wfaB-1vjvA:
20.95
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.
1wza ALPHA-AMYLASE A

(Halothermothrix
orenii) 		PF00128
(Alpha-amylase) 		4 TYR A 352
ARG A 428
ASP A 322
TYR A 435
 None
 1.32A 3wfaA-1wzaA:
14.5
3wfaB-1wzaA:
10.5		 3wfaA-1wzaA:
20.92
3wfaB-1wzaA:
20.92
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.
1z01 2-OXO-1,2-DIHYDROQUI
NOLINE
8-MONOOXYGENASE,
OXYGENASE COMPONENT

(Pseudomonas
putida) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		4 TYR A 376
ARG A 210
ASP A 383
TYR A  33
 None
 1.47A 3wfaA-1z01A:
0.0
3wfaB-1z01A:
0.0		 3wfaA-1z01A:
20.80
3wfaB-1z01A:
20.80
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.
2ae0 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE A

(Escherichia
coli) 		PF03562
(MltA)
PF06725
(3D) 		4 TYR X 121
ASP X 160
ASN X 156
TYR X 118
 None
 1.39A 3wfaA-2ae0X:
undetectable
3wfaB-2ae0X:
undetectable		 3wfaA-2ae0X:
19.53
3wfaB-2ae0X:
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.
2brt LEUCOANTHOCYANIDIN
DIOXYGENASE

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 ARG A   6
ASP A 116
ASN A 115
TYR A 125
 None
 1.40A 3wfaA-2brtA:
0.0
3wfaB-2brtA:
0.1		 3wfaA-2brtA:
18.21
3wfaB-2brtA:
18.21
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.
2r14 MORPHINONE REDUCTASE

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		4 TYR A 356
ARG A  35
ASP A 351
TYR A 363
 TXD  A 600 ( 3.4A)
None
None
None
 1.21A 3wfaA-2r14A:
0.0
3wfaB-2r14A:
7.3		 3wfaA-2r14A:
19.78
3wfaB-2r14A:
19.78
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.
3a9s D-ARABINOSE
ISOMERASE

(Aeribacillus
pallidus) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		4 TYR A 420
ARG A 334
ASP A 404
TYR A 337
 None
 0.88A 3wfaA-3a9sA:
1.7
3wfaB-3a9sA:
1.6		 3wfaA-3a9sA:
22.82
3wfaB-3a9sA:
22.82
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.
3bdk D-MANNONATE
DEHYDRATASE

(Streptococcus
suis) 		PF03786
(UxuA) 		4 ARG A  99
ASP A 193
ASN A 197
TYR A 200
 None
 1.21A 3wfaA-3bdkA:
8.5
3wfaB-3bdkA:
5.7		 3wfaA-3bdkA:
20.30
3wfaB-3bdkA:
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.
3eby BETA SUBUNIT OF A
PUTATIVE
AROMATIC-RING-HYDROX
YLATING DIOXYGENASE

(Novosphingobium
aromaticivorans) 		PF00866
(Ring_hydroxyl_B) 		4 ARG A 145
ASP A  16
ASN A  19
TYR A  22
 None
 1.46A 3wfaA-3ebyA:
undetectable
3wfaB-3ebyA:
undetectable		 3wfaA-3ebyA:
13.23
3wfaB-3ebyA:
13.23
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.
3gwj ARYLPHORIN

(Antheraea
pernyi) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 TYR A 197
ARG A 408
ASP A 159
ASN A 157
 None
 1.39A 3wfaA-3gwjA:
undetectable
3wfaB-3gwjA:
undetectable		 3wfaA-3gwjA:
22.65
3wfaB-3gwjA:
22.65
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.
3hdy UDP-GALACTOPYRANOSE
MUTASE

(Deinococcus
radiodurans) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		4 ARG A 198
ASP A 374
ASN A 372
TYR A 370
 GDU  A 500 (-3.8A)
None
FAD  A 450 ( 4.3A)
GDU  A 500 (-4.8A)
 1.28A 3wfaA-3hdyA:
undetectable
3wfaB-3hdyA:
undetectable		 3wfaA-3hdyA:
20.03
3wfaB-3hdyA:
20.03
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.
3jr1 PUTATIVE
FRUCTOSAMINE-3-KINAS
E

(Histophilus
somni) 		PF03881
(Fructosamin_kin) 		4 ARG A 152
ASP A 139
ASN A 138
TYR A 215
 None
 1.40A 3wfaA-3jr1A:
undetectable
3wfaB-3jr1A:
undetectable		 3wfaA-3jr1A:
16.30
3wfaB-3jr1A:
16.30
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.
3jrk TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE 2

(Streptococcus
pyogenes) 		PF01791
(DeoC) 		4 ARG A  99
ASP A 169
ASN A 170
TYR A 163
 None
 1.48A 3wfaA-3jrkA:
8.3
3wfaB-3jrkA:
7.0		 3wfaA-3jrkA:
19.83
3wfaB-3jrkA:
19.83
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.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		4 TYR A 118
ARG A 125
ASN A 270
TYR A 254
 None
 1.47A 3wfaA-3nztA:
undetectable
3wfaB-3nztA:
undetectable		 3wfaA-3nztA:
22.52
3wfaB-3nztA:
22.52
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.
3oa3 ALDOLASE

(Coccidioides
immitis) 		PF01791
(DeoC) 		4 TYR A 102
ASP A 142
ASN A 127
TYR A 128
 None
 1.26A 3wfaA-3oa3A:
6.5
3wfaB-3oa3A:
5.3		 3wfaA-3oa3A:
17.37
3wfaB-3oa3A:
17.37
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.
3ohm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 TYR B 157
ARG B 154
ASP B  46
ASN B  48
 None
 1.16A 3wfaA-3ohmB:
4.9
3wfaB-3ohmB:
undetectable		 3wfaA-3ohmB:
22.50
3wfaB-3ohmB:
22.50
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.
3ukf UDP-GALACTOPYRANOSE
MUTASE

(Aspergillus
fumigatus) 		PF13450
(NAD_binding_8) 		4 ARG A 182
ASP A 459
ASN A 457
TYR A 453
 GDU  A 802 (-3.5A)
None
GDU  A 802 ( 4.0A)
GDU  A 802 (-4.8A)
 1.32A 3wfaA-3ukfA:
undetectable
3wfaB-3ukfA:
undetectable		 3wfaA-3ukfA:
22.57
3wfaB-3ukfA:
22.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		4 ASP A 250
ASN A 488
TYR A 492
LYS A 495
 EDT  A 802 ( 4.5A)
EDT  A 802 (-2.7A)
EDT  A 802 (-4.8A)
EDT  A 802 (-2.7A)
 0.48A 3wfaA-3wfaA:
72.0
3wfaB-3wfaA:
63.0		 3wfaA-3wfaA:
100.00
3wfaB-3wfaA:
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.
4dsh UDP-GALACTOPYRANOSE
MUTASE

(Trypanosoma
cruzi) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		4 ARG A 176
ASP A 435
ASN A 433
TYR A 429
 UDP  A 501 (-4.1A)
None
FDA  A 502 (-4.3A)
UDP  A 501 (-4.4A)
 1.23A 3wfaA-4dshA:
undetectable
3wfaB-4dshA:
undetectable		 3wfaA-4dshA:
20.69
3wfaB-4dshA:
20.69
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.
4lsq HEAVY CHAIN OF
ANTIBODY VRC-CH31
LIGHT CHAIN OF
ANTIBODY VRC-CH31
WITH N70D MUTATION

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 TYR L  91
ASP L  50
ASN L  34
TYR H 100
 None
 1.49A 3wfaA-4lsqL:
undetectable
3wfaB-4lsqL:
undetectable		 3wfaA-4lsqL:
15.12
3wfaB-4lsqL:
15.12
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.
4qj4 1-PHOSPHATIDYLINOSIT
OL 4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 TYR B 157
ARG B 154
ASP B  46
ASN B  48
 None
 1.28A 3wfaA-4qj4B:
2.0
3wfaB-4qj4B:
undetectable		 3wfaA-4qj4B:
22.66
3wfaB-4qj4B:
22.66
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.
4rnw NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		4 TYR A  75
ARG A 139
ASP A  70
TYR A  82
 EPE  A 402 ( 3.7A)
None
None
None
 1.23A 3wfaA-4rnwA:
2.2
3wfaB-4rnwA:
7.4		 3wfaA-4rnwA:
20.25
3wfaB-4rnwA:
20.25
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.
4tmc OLD YELLOW ENZYME

(Kluyveromyces
marxianus) 		PF00724
(Oxidored_FMN) 		4 TYR A 375
ARG A  40
ASP A 370
TYR A 382
 FMN  A 501 ( 4.0A)
None
None
None
 1.24A 3wfaA-4tmcA:
7.9
3wfaB-4tmcA:
undetectable		 3wfaA-4tmcA:
21.58
3wfaB-4tmcA:
21.58
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.
5dxx ARTEMISINIC ALDEHYDE
DELTA(11(13))
REDUCTASE

(Artemisia annua) 		PF00724
(Oxidored_FMN) 		4 TYR A 367
ARG A  31
ASP A 362
TYR A 375
 FMN  A7401 (-4.0A)
None
None
None
 1.21A 3wfaA-5dxxA:
8.2
3wfaB-5dxxA:
1.8		 3wfaA-5dxxA:
19.67
3wfaB-5dxxA:
19.67
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.
5fl7 ATP SYNTHASE SUBUNIT
ALPHA
ATP SYNTHASE SUBUNIT
BETA

(Yarrowia
lipolytica;
Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N)
PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 ARG A 106
ASP D 109
ASN D  65
LYS A 109
 None
 1.19A 3wfaA-5fl7A:
undetectable
3wfaB-5fl7A:
undetectable		 3wfaA-5fl7A:
23.06
3wfaB-5fl7A:
23.06
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.
5ngk GLUCOSYLCERAMIDASE

(Bacteroides
thetaiotaomicron) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 TYR A 316
ASP A 286
ASN A 284
TYR A 283
 None
 1.03A 3wfaA-5ngkA:
5.7
3wfaB-5ngkA:
6.5		 3wfaA-5ngkA:
23.05
3wfaB-5ngkA:
23.05
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.
5v4p NADPH DEHYDROGENASE
3

(Saccharomyces
cerevisiae) 		no annotation 4 TYR A 375
ARG A  40
ASP A 370
TYR A 382
 HBA  A 402 ( 4.4A)
None
None
None
 1.17A 3wfaA-5v4pA:
7.9
3wfaB-5v4pA:
2.6		 3wfaA-5v4pA:
undetectable
3wfaB-5v4pA:
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 3

(Homo sapiens) 		no annotation 4 ARG A 390
ASN A 394
TYR A 329
LYS A 328
 None
 1.31A 3wfaA-6en4A:
undetectable
3wfaB-6en4A:
undetectable		 3wfaA-6en4A:
undetectable
3wfaB-6en4A:
undetectable