SIMILAR PATTERNS OF AMINO ACIDS FOR 6FGD_A_D8ZA831

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.
1i6a HYDROGEN
PEROXIDE-INDUCIBLE
GENES ACTIVATOR

(Escherichia
coli) 		PF03466
(LysR_substrate) 		5 ILE A  98
LEU A 243
PRO A 107
ILE A 109
MET A 293
 None
 1.42A 6fgdA-1i6aA:
undetectable		 6fgdA-1i6aA:
18.75
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.
1p9b ADENYLOSUCCINATE
SYNTHETASE

(Plasmodium
falciparum) 		PF00709
(Adenylsucc_synt) 		5 ASP A 118
PHE A 117
ILE A 119
ILE A  87
TYR A 201
 NO3  A1604 (-3.8A)
None
None
None
None
 1.14A 6fgdA-1p9bA:
1.2		 6fgdA-1p9bA:
10.87
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.
1urx BETA-AGARASE A

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		5 ASP A 252
PHE A 276
ILE A  95
TYR A 154
MET A 167
 GLA  A1292 ( 4.2A)
None
None
None
None
 1.35A 6fgdA-1urxA:
undetectable		 6fgdA-1urxA:
14.49
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.
1vgm 378AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		5 MET A 174
ASP A 175
ILE A 179
LEU A 337
ILE A  70
 None
 1.22A 6fgdA-1vgmA:
0.0		 6fgdA-1vgmA:
13.32
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.
1w55 ISPD/ISPF
BIFUNCTIONAL ENZYME

(Campylobacter
jejuni) 		PF01128
(IspD)
PF02542
(YgbB) 		5 PRO A 148
ILE A 150
TYR A  45
MET A   4
MET A  93
 None
 1.43A 6fgdA-1w55A:
1.7		 6fgdA-1w55A:
12.96
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.
1yks GENOME POLYPROTEIN
[CONTAINS:
FLAVIVIRIN PROTEASE
NS3 CATALYTIC
SUBUNIT]

(Yellow fever
virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		5 MET A 527
ASP A 500
LEU A 493
PRO A 296
ILE A 299
 None
 1.45A 6fgdA-1yksA:
0.7		 6fgdA-1yksA:
11.14
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.
2etv IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF01497
(Peripla_BP_2) 		5 ASP A 298
PHE A 301
ILE A 302
ILE A 353
TYR A 333
 None
None
None
MLY  A 345 ( 4.1A)
None
 1.09A 6fgdA-2etvA:
2.2		 6fgdA-2etvA:
15.48
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 PHE A 355
ILE A 360
LEU A 351
ILE A 497
TYR A 239
 None
 1.48A 6fgdA-2np0A:
0.0		 6fgdA-2np0A:
4.65
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.
2vd2 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Bacillus
subtilis) 		PF01634
(HisG) 		5 MET A   9
ILE A  51
LEU A  22
ILE A 196
MET A 199
 None
 1.33A 6fgdA-2vd2A:
undetectable		 6fgdA-2vd2A:
19.91
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.
2ve3 PUTATIVE CYTOCHROME
P450 120

(Synechocystis
sp. PCC 6803) 		PF00067
(p450) 		5 PHE A 174
ILE A 178
LEU A 170
ILE A 248
MET A 160
 None
 1.47A 6fgdA-2ve3A:
undetectable		 6fgdA-2ve3A:
10.64
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 5 ASP A  78
PHE A  77
ARG A  10
PRO A  11
ILE A  13
 None
 1.49A 6fgdA-3ahmA:
undetectable		 6fgdA-3ahmA:
10.45
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.
3icf SERINE/THREONINE-PRO
TEIN PHOSPHATASE T

(Saccharomyces
cerevisiae) 		PF00149
(Metallophos)
PF08321
(PPP5) 		5 MET A 231
PHE A 373
ILE A 376
LEU A 370
ILE A 430
 None
 1.23A 6fgdA-3icfA:
undetectable		 6fgdA-3icfA:
14.24
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.
3is5 CALCIUM-DEPENDENT
PROTEIN KINASE

(Toxoplasma
gondii) 		PF00069
(Pkinase) 		5 MET A 326
LEU A 369
ARG A 381
PRO A 382
MET A 245
 None
 1.28A 6fgdA-3is5A:
undetectable		 6fgdA-3is5A:
14.39
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.
3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC

(Carboxydothermus
hydrogenoformans) 		PF01656
(CbiA) 		5 MET A 137
ASP A 138
LEU A 146
ILE A 174
MET A 157
 None
 1.24A 6fgdA-3kjeA:
2.2		 6fgdA-3kjeA:
16.96
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.
3u7i FMN-DEPENDENT
NADH-AZOREDUCTASE 1

(Bacillus
anthracis) 		PF02525
(Flavodoxin_2) 		5 ILE A 144
LEU A  46
PRO A 107
TYR A 113
MET A 114
 None
 1.50A 6fgdA-3u7iA:
1.4		 6fgdA-3u7iA:
19.09
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.
3vgo E3 UBIQUITIN-PROTEIN
LIGASE CBL-B

(Homo sapiens) 		PF02262
(Cbl_N)
PF02761
(Cbl_N2)
PF02762
(Cbl_N3) 		5 MET A  53
ILE A 122
LEU A 114
ILE A 149
MET A 153
 None
 1.49A 6fgdA-3vgoA:
undetectable		 6fgdA-3vgoA:
9.64
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.
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 PHE A 423
ILE A 261
LEU A 414
ILE A 286
MET A 285
 None
 1.40A 6fgdA-3zyxA:
2.7		 6fgdA-3zyxA:
10.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u90 GEPHYRIN

(Rattus
norvegicus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		11 MET A 326
ASP A 327
PHE A 330
ILE A 331
LEU A 637
ARG A 653
PRO A 654
ILE A 656
TYR A 673
MET A 711
MET A 731
 None
 0.40A 6fgdA-4u90A:
50.7		 6fgdA-4u90A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4u90 GEPHYRIN

(Rattus
norvegicus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		7 MET A 326
ASP A 327
PHE A 330
ILE A 331
LEU A 637
PRO A 641
TYR A 673
 None
 1.45A 6fgdA-4u90A:
50.7		 6fgdA-4u90A:
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.
4xxh HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TRER

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		5 PHE A  88
ILE A 296
LEU A  85
ILE A  96
MET A  97
 None
 1.38A 6fgdA-4xxhA:
7.1		 6fgdA-4xxhA:
16.39
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.
4zxb INSULIN RECEPTOR

(Homo sapiens) 		PF00041
(fn3)
PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 ILE E 478
LEU E 473
ARG E 488
PRO E 549
ILE E 534
 None
 1.28A 6fgdA-4zxbE:
undetectable		 6fgdA-4zxbE:
7.16
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.
5axi E3 UBIQUITIN-PROTEIN
LIGASE CBL-B

(Mus musculus) 		PF02262
(Cbl_N)
PF02761
(Cbl_N2)
PF02762
(Cbl_N3) 		5 MET A  53
ILE A 122
LEU A 114
ARG A 120
ILE A 149
 None
 1.30A 6fgdA-5axiA:
undetectable		 6fgdA-5axiA:
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.
5kqv INSULIN
RECEPTOR,INSULIN
RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		5 ILE E 478
LEU E 473
ARG E 488
PRO E 549
ILE E 534
 None
 1.27A 6fgdA-5kqvE:
undetectable		 6fgdA-5kqvE:
8.70
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.
5vh2 CADHERIN-23

(Mus musculus) 		no annotation 5 ASP A1246
ILE A1201
ILE A1225
TYR A1256
MET A1258
 None
 1.28A 6fgdA-5vh2A:
undetectable		 6fgdA-5vh2A:
23.91