SIMILAR PATTERNS OF AMINO ACIDS FOR 6DWD_A_GLYA717

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.
1b2i PROTEIN
(PLASMINOGEN)

(Homo sapiens) 		PF00051
(Kringle) 		4 SER A  -3
ASP A  10
ARG A  52
LYS A  47
 None
 1.39A 6dwdA-1b2iA:
undetectable		 6dwdA-1b2iA:
10.72
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.
1b5f PROTEIN (CARDOSIN A)

(Cynara
cardunculus) 		PF00026
(Asp) 		4 SER A  13
ARG A 115
ASP A   9
ARG A  10
 None
 1.20A 6dwdA-1b5fA:
0.0		 6dwdA-1b5fA:
18.45
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.
1c3e GLYCINAMIDE
RIBONUCLEOTIDE
TRANSFORMYLASE

(Escherichia
coli) 		PF00551
(Formyl_trans_N) 		4 SER A  93
ARG A  64
ASP A  68
ARG A  90
 None
NHR  A 220 (-3.1A)
None
None
 1.17A 6dwdA-1c3eA:
0.0		 6dwdA-1c3eA:
16.33
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.
1hyb NICOTINAMIDE
MONONUCLEOTIDE
ADENYLYLTRANSFERASE

(Methanothermobacter
thermautotrophicus) 		PF01467
(CTP_transf_like) 		4 SER A  45
ARG A 136
ASP A  48
ARG A  11
 None
SO4  A1759 (-3.1A)
None
SO4  A1759 ( 3.2A)
 1.28A 6dwdA-1hybA:
0.0		 6dwdA-1hybA:
16.54
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.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)
PROTEIN (IMPORTIN
ALPHA-2 SUBUNIT)

(Homo sapiens;
Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ)
PF01749
(IBB) 		4 SER A 633
ASP A 676
ARG B  39
LYS B  42
 None
 1.19A 6dwdA-1qgrA:
0.0		 6dwdA-1qgrA:
19.96
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.
1wde PROBABLE DIPHTHINE
SYNTHASE

(Aeropyrum
pernix) 		PF00590
(TP_methylase) 		4 SER A  66
ARG A  68
ASP A  69
ARG A  73
 None
 0.99A 6dwdA-1wdeA:
undetectable		 6dwdA-1wdeA:
18.17
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.
1wmr ISOPULLULANASE

(Aspergillus
niger) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		4 SER A 182
ASP A 341
ARG A 153
LYS A 343
 None
 1.46A 6dwdA-1wmrA:
undetectable		 6dwdA-1wmrA:
20.60
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.
2an2 P332G A333S DOUBLE
MUTANT OF NITRIC
OXIDE SYNTHASE FROM
BACILLUS SUBTILIS

(Bacillus
subtilis) 		PF02898
(NO_synthase) 		4 SER A 144
ARG A 128
ASP A 141
ARG A 250
 None
ARG  A2000 (-4.0A)
None
None
 1.27A 6dwdA-2an2A:
undetectable		 6dwdA-2an2A:
21.77
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.
2c1c CARBOXYPEPTIDASE B

(Helicoverpa zea) 		PF00246
(Peptidase_M14) 		4 SER A  53
ASP A 104
ARG A 188
LYS A  59
 None
 1.47A 6dwdA-2c1cA:
undetectable		 6dwdA-2c1cA:
20.59
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.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		4 SER A 522
ARG A 524
ASP A 525
LYS A 374
 None
 1.28A 6dwdA-2dw4A:
undetectable		 6dwdA-2dw4A:
20.57
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.
2nli LACTATE OXIDASE

(Aerococcus
viridans) 		PF01070
(FMN_dh) 		4 SER A 223
ARG A 225
ASP A 226
LYS A 219
 None
 1.45A 6dwdA-2nliA:
undetectable		 6dwdA-2nliA:
22.20
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.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		4 SER A 542
ARG A 538
ASP A 539
LYS A1019
 None
 1.40A 6dwdA-2y3aA:
undetectable		 6dwdA-2y3aA:
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.
3bbj PUTATIVE
THIOESTERASE II

(Thermobifida
fusca) 		PF13622
(4HBT_3) 		4 SER A 180
ARG A 182
ASP A 183
ARG A 149
 None
 1.26A 6dwdA-3bbjA:
undetectable		 6dwdA-3bbjA:
21.01
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.
3htk E3 SUMO-PROTEIN
LIGASE MMS21

(Saccharomyces
cerevisiae) 		PF11789
(zf-Nse) 		4 SER C 231
ARG C 233
ASP C 234
LYS C 199
 None
 1.26A 6dwdA-3htkC:
undetectable		 6dwdA-3htkC:
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.
3htk E3 SUMO-PROTEIN
LIGASE MMS21

(Saccharomyces
cerevisiae) 		PF11789
(zf-Nse) 		4 SER C 231
ASP C 234
ARG C 198
LYS C 199
 None
 1.41A 6dwdA-3htkC:
undetectable		 6dwdA-3htkC:
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.
3iah SHORT CHAIN
DEHYDROGENASE YCIK

(Salmonella
enterica) 		PF00106
(adh_short) 		4 SER A 142
ARG A  13
ASP A 143
ARG A 234
 None
 1.34A 6dwdA-3iahA:
undetectable		 6dwdA-3iahA:
18.93
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.
3m7k RESTRICTION
ENDONUCLEASE PACI

(Pseudomonas
alcaligenes) 		no annotation 4 SER A  94
ARG A 106
ASP A  92
LYS A 116
 None
None
MG  A 145 (-3.4A)
MG  A 145 ( 4.2A)
 1.26A 6dwdA-3m7kA:
undetectable		 6dwdA-3m7kA:
12.82
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.
3obi FORMYLTETRAHYDROFOLA
TE DEFORMYLASE

(Rhodopseudomonas
palustris) 		PF00551
(Formyl_trans_N) 		4 SER A 243
ARG A 245
ASP A 246
LYS A 254
 None
 0.93A 6dwdA-3obiA:
undetectable		 6dwdA-3obiA:
18.65
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.
4hqp ALPHA7 NICOTINIC
RECEPTOR CHIMERA

(Lymnaea
stagnalis;
Homo sapiens) 		PF02931
(Neur_chan_LBD) 		4 SER A 180
ARG A 182
ASP A 193
LYS A 141
 None
 1.44A 6dwdA-4hqpA:
undetectable		 6dwdA-4hqpA:
17.94
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.
4i4z NAPHTHOATE SYNTHASE

(Synechocystis
sp. PCC 6803) 		PF00378
(ECH_1) 		4 SER A  80
ASP A  78
ARG A  27
LYS A  30
 2NE  A 301 ( 4.9A)
2NE  A 301 (-4.0A)
None
2NE  A 301 (-4.5A)
 1.33A 6dwdA-4i4zA:
undetectable		 6dwdA-4i4zA:
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.
4n75 OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag) 		4 SER A 715
ARG A 632
ASP A 740
ARG A 661
 None
 1.50A 6dwdA-4n75A:
undetectable		 6dwdA-4n75A:
21.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4zwe DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		5 SER A 192
ARG A 194
ASP A 195
ARG A 290
LYS A 294
 None
 0.26A 6dwdA-4zweA:
56.0		 6dwdA-4zweA:
99.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Homo sapiens) 		PF01966
(HD) 		5 SER A 192
ARG A 194
ASP A 195
ARG A 290
LYS A 294
 None
 0.41A 6dwdA-5ao0A:
52.0		 6dwdA-5ao0A:
85.31
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.
5b57 HEMIN IMPORT
ATP-BINDING PROTEIN
HMUV

(Burkholderia
cenocepacia) 		PF00005
(ABC_tran) 		4 SER C 119
ARG C 121
ASP C 122
ARG C 108
 None
 1.49A 6dwdA-5b57C:
undetectable		 6dwdA-5b57C:
18.63
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.
5jk6 PHENYLALANINE-4-HYDR
OXYLASE

(Dictyostelium
discoideum) 		PF00351
(Biopterin_H) 		4 SER A  20
ARG A 111
ASP A  69
ARG A  51
 None
 1.21A 6dwdA-5jk6A:
undetectable		 6dwdA-5jk6A:
24.43
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.
5mqo NON-REDUCING END
BETA-L-ARABINOFURANO
SIDASE

(Bacteroides
thetaiotaomicron) 		PF07944
(Glyco_hydro_127) 		4 ARG A 292
ASP A 329
ARG A 333
LYS A 334
 None
 1.24A 6dwdA-5mqoA:
undetectable		 6dwdA-5mqoA:
22.91
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.
5z9a CHORISMATE SYNTHASE

(Pseudomonas
aeruginosa) 		no annotation 4 SER A  37
ARG A  39
ASP A  40
LYS A 143
 None
 1.20A 6dwdA-5z9aA:
undetectable		 6dwdA-5z9aA:
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.
6brk DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1

(Mus musculus) 		no annotation 5 SER A 224
ARG A 226
ASP A 227
ARG A 322
LYS A 326
 None
 0.38A 6dwdA-6brkA:
52.2		 6dwdA-6brkA:
undetectable