SIMILAR PATTERNS OF AMINO ACIDS FOR 6FGD_A_ACTA820_0

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.
1e7s GDP-FUCOSE
SYNTHETASE

(Escherichia
coli) 		PF01370
(Epimerase) 		4 GLU A 148
PRO A 238
THR A 236
GLN A 237
 None
SO4  A1320 (-4.4A)
None
None
 1.43A 6fgdA-1e7sA:
3.2		 6fgdA-1e7sA:
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.
1xkt FATTY ACID SYNTHASE

(Homo sapiens) 		PF00975
(Thioesterase) 		4 GLU A2227
PRO A2226
THR A2274
GLN A2272
 None
 1.50A 6fgdA-1xktA:
2.4		 6fgdA-1xktA:
20.09
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.
1zq7 HYPOTHETICAL PROTEIN
MM0484

(Methanosarcina
mazei) 		PF01871
(AMMECR1) 		4 GLU A 110
PRO A 109
THR A 107
GLN A 108
 None
 1.24A 6fgdA-1zq7A:
undetectable		 6fgdA-1zq7A:
18.73
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.
2ior CHAPERONE PROTEIN
HTPG

(Escherichia
coli) 		PF02518
(HATPase_c) 		4 GLU A 155
THR A 163
GLN A   4
MET A   1
 None
 0.94A 6fgdA-2iorA:
undetectable		 6fgdA-2iorA:
19.86
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.
2ip2 PROBABLE
PHENAZINE-SPECIFIC
METHYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 GLU A 115
PRO A 112
THR A 111
MET A 293
 None
 1.47A 6fgdA-2ip2A:
3.2		 6fgdA-2ip2A:
23.48
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.
2iw1 LIPOPOLYSACCHARIDE
CORE BIOSYNTHESIS
PROTEIN RFAG

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		4 GLU A 160
PRO A 159
THR A 157
GLN A 134
 None
 1.23A 6fgdA-2iw1A:
2.7		 6fgdA-2iw1A:
21.95
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.
2mcz COMPLEMENT RECEPTOR
TYPE 1

(Homo sapiens) 		PF00084
(Sushi) 		4 GLU A  31
PRO A  13
THR A  14
GLN A  15
 None
 1.30A 6fgdA-2mczA:
undetectable		 6fgdA-2mczA:
15.51
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.
2ory LIPASE

(Photobacterium
sp. M37) 		PF01764
(Lipase_3) 		4 GLU A  49
PRO A  46
GLN A   7
MET A 322
 None
 1.32A 6fgdA-2oryA:
undetectable		 6fgdA-2oryA:
20.99
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.
2pmi CYCLIN-DEPENDENT
PROTEIN KINASE PHO85

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 GLU A 230
PRO A 228
THR A 227
MET A 181
 None
 1.17A 6fgdA-2pmiA:
undetectable		 6fgdA-2pmiA:
23.18
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.
2qru UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF07859
(Abhydrolase_3) 		4 GLU A  23
PRO A  24
THR A  25
GLN A  94
 None
 1.19A 6fgdA-2qruA:
2.6		 6fgdA-2qruA:
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.
2r1f PREDICTED
AMINODEOXYCHORISMATE
LYASE

(Escherichia
coli) 		PF02618
(YceG) 		4 GLU A 116
PRO A 287
THR A 286
MET A 185
 CD  A   1 (-3.3A)
None
None
None
 1.43A 6fgdA-2r1fA:
undetectable		 6fgdA-2r1fA:
20.19
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.
2xy4 ZINC ABC
TRANSPORTER,
PERIPLASMIC
ZINC-BINDING PROTEIN

(Salmonella
enterica) 		PF01297
(ZnuA) 		4 GLU A 260
PRO A 261
THR A 281
GLN A 306
 None
 1.43A 6fgdA-2xy4A:
3.9		 6fgdA-2xy4A:
21.88
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.
3fhk UPF0403 PROTEIN YPHP

(Bacillus
subtilis) 		PF06491
(Disulph_isomer) 		4 GLU A  19
THR A  65
GLN A  66
MET A 129
 None
 1.06A 6fgdA-3fhkA:
undetectable		 6fgdA-3fhkA:
14.22
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.
3h9m P-AMINOBENZOATE
SYNTHETASE,
COMPONENT I

(Cytophaga
hutchinsonii) 		PF00425
(Chorismate_bind) 		4 GLU A 299
PRO A 298
THR A 315
GLN A  43
 None
 1.41A 6fgdA-3h9mA:
undetectable		 6fgdA-3h9mA:
23.59
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.
3j9t V-TYPE PROTON ATPASE
SUBUNIT F

(Saccharomyces
cerevisiae) 		PF01990
(ATP-synt_F) 		4 GLU N  31
PRO N  30
THR N  29
GLN N  27
 None
 1.12A 6fgdA-3j9tN:
4.2		 6fgdA-3j9tN:
16.14
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.
3p2y ALANINE
DEHYDROGENASE/PYRIDI
NE NUCLEOTIDE
TRANSHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		4 GLU A 114
PRO A  93
THR A  95
GLN A  96
 None
 1.29A 6fgdA-3p2yA:
3.4		 6fgdA-3p2yA:
23.81
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.
3q0i METHIONYL-TRNA
FORMYLTRANSFERASE

(Vibrio cholerae) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		4 GLU A  38
PRO A  37
THR A  35
GLN A  36
 None
 1.21A 6fgdA-3q0iA:
2.6		 6fgdA-3q0iA:
23.39
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.
3vb9 UNCHARACTERIZED
PROTEIN VPA0735

(Vibrio
parahaemolyticus) 		PF06742
(DUF1214)
PF06863
(DUF1254) 		4 GLU A 454
PRO A 452
THR A 450
GLN A 449
 None
 1.11A 6fgdA-3vb9A:
undetectable		 6fgdA-3vb9A:
23.14
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.
3wib HALOALKANE
DEHALOGENASE

(Agrobacterium
fabrum) 		PF00561
(Abhydrolase_1) 		4 GLU A 282
PRO A 281
THR A 283
GLN A 280
 None
 1.40A 6fgdA-3wibA:
2.0		 6fgdA-3wibA:
19.48
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.
3zgb PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Flaveria
pringlei) 		PF00311
(PEPcase) 		4 GLU A 616
PRO A 655
THR A 657
GLN A 653
 None
 1.37A 6fgdA-3zgbA:
undetectable		 6fgdA-3zgbA:
18.49
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.
3zif PIX

(Bovine
mastadenovirus
B) 		PF03955
(Adeno_PIX) 		4 GLU N  61
PRO N  38
THR N  27
GLN N  69
 None
 1.49A 6fgdA-3zifN:
undetectable		 6fgdA-3zifN:
15.90
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.
4a2q RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		4 PRO A 268
THR A 269
GLN A 727
MET A 455
 None
 1.33A 6fgdA-4a2qA:
2.0		 6fgdA-4a2qA:
20.10
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.
4go4 PUTATIVE
GAMMA-HYDROXYMUCONIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
WBC-3) 		PF00171
(Aldedh) 		4 GLU A 365
PRO A 366
THR A 367
MET A 320
 None
 1.46A 6fgdA-4go4A:
3.0		 6fgdA-4go4A:
24.55
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.
4n91 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Anaerococcus
prevotii) 		PF03480
(DctP) 		4 PRO A  44
THR A  45
GLN A  39
MET A 218
 None
None
GCU  A 401 ( 3.7A)
None
 1.02A 6fgdA-4n91A:
undetectable		 6fgdA-4n91A:
20.47
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.
4q6i HEAVY CHAIN OF
MURINE 2D5 FAB

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLU B  10
PRO B   9
THR B 107
GLN B 105
 None
 1.07A 6fgdA-4q6iB:
undetectable		 6fgdA-4q6iB:
18.68
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.
4r7b CHOLINE KINASE

(Streptococcus
pneumoniae) 		PF01633
(Choline_kinase) 		4 GLU A 229
PRO A 234
THR A 233
MET A 204
 None
 1.43A 6fgdA-4r7bA:
undetectable		 6fgdA-4r7bA:
18.50
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.
4txd CSC2

(Thermofilum
pendens) 		no annotation 4 GLU A 238
PRO A 153
THR A 156
MET A  89
 None
 1.49A 6fgdA-4txdA:
undetectable		 6fgdA-4txdA:
22.10
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) 		4 GLU A 397
PRO A 399
THR A 400
GLN A 401
 None
 0.89A 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) 		4 PRO A 399
THR A 400
GLN A 401
MET A 409
 None
 0.17A 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.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		4 GLU A 670
PRO A1026
THR A1025
GLN A1023
 None
 1.43A 6fgdA-5ja1A:
2.5		 6fgdA-5ja1A:
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT
ACETOPHENONE
CARBOXYLASE BETA
SUBUNIT

(Aromatoleum
aromaticum;
Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B)
PF08882
(Acetone_carb_G) 		4 GLU C 124
PRO C 123
THR C 121
GLN A 255
 None
 1.23A 6fgdA-5l9wC:
undetectable		 6fgdA-5l9wC:
14.32
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.
5n7z LIPOPOLYSACCHARIDE
1,6-GALACTOSYLTRANSF
ERASE

(Salmonella
enterica) 		no annotation 4 GLU A 268
PRO A 271
THR A 273
MET A 296
 None
 1.44A 6fgdA-5n7zA:
2.3		 6fgdA-5n7zA:
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.
5ua5 5-HL

(African swine
fever virus) 		PF00452
(Bcl-2) 		4 GLU A  65
THR A  68
GLN A  69
MET A  97
 None
 1.35A 6fgdA-5ua5A:
undetectable		 6fgdA-5ua5A:
16.59
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.
5xau LAMININ SUBUNIT
BETA-1
LAMININ SUBUNIT
GAMMA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 GLU B1725
THR B1728
GLN B1732
MET C1549
 None
 1.06A 6fgdA-5xauB:
undetectable		 6fgdA-5xauB:
12.15
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.
5yu1 LYSINE
CYCLODEAMINASE

(Streptomyces
pristinaespiralis) 		no annotation 4 GLU A 307
THR A 302
GLN A 260
MET A  65
 None
None
None
YCP  A 403 (-3.8A)
 1.45A 6fgdA-5yu1A:
2.7		 6fgdA-5yu1A:
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.
5zxd -

(-) 		no annotation 4 GLU A  75
PRO A 150
THR A 151
GLN A 152
 None
 0.97A 6fgdA-5zxdA:
undetectable		 6fgdA-5zxdA:
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.
6gk7 HUMAN FAB ANTIBODY
FRAGMENT OF
CBTAU-27.1(S31Y,T100
I)

(Homo sapiens) 		no annotation 4 GLU H  10
PRO H   9
THR H 116
GLN H 114
 None
 1.17A 6fgdA-6gk7H:
undetectable		 6fgdA-6gk7H:
undetectable