SIMILAR PATTERNS OF AMINO ACIDS FOR 4FGJ_A_1PQA303_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.
1cii COLICIN IA

(Escherichia
coli) 		PF01024
(Colicin)
PF11504
(Colicin_Ia) 		5 TRP A 564
GLY A 602
GLY A 600
PHE A 555
ILE A 590
 None
 1.16A 4fgjA-1ciiA:
undetectable
4fgjB-1ciiA:
undetectable		 4fgjA-1ciiA:
15.80
4fgjB-1ciiA:
15.80
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 TRP A 229
GLY A 232
GLY A 386
ILE A 301
PHE A 310
 None
MGD  A5002 (-3.2A)
MGD  A5002 (-3.1A)
None
None
 1.38A 4fgjA-1g8kA:
1.0
4fgjB-1g8kA:
2.0		 4fgjA-1g8kA:
15.34
4fgjB-1g8kA:
15.34
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.
1u0u DIHYDROPINOSYLVIN
SYNTHASE

(Pinus
sylvestris) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 309
GLY A 308
PHE A 268
ILE A 257
PHE A 218
 None
 1.12A 4fgjA-1u0uA:
0.0
4fgjB-1u0uA:
0.0		 4fgjA-1u0uA:
21.45
4fgjB-1u0uA:
21.45
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.
1vkx PROTEIN (NF-KAPPA B
P50 SUBUNIT)

(Mus musculus) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		5 GLY B 562
GLY B 563
PHE B 645
ILE B 566
PHE B 582
 None
 1.39A 4fgjA-1vkxB:
undetectable
4fgjB-1vkxB:
undetectable		 4fgjA-1vkxB:
23.44
4fgjB-1vkxB:
23.44
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.
1z81 CYCLOPHILIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		5 GLY A 106
GLY A 107
PHE A  57
ILE A  47
PHE A  59
 None
 0.99A 4fgjA-1z81A:
undetectable
4fgjB-1z81A:
undetectable		 4fgjA-1z81A:
20.49
4fgjB-1z81A:
20.49
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.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		5 GLY A 435
GLY A 434
MET A 533
GLU A 551
ILE A 476
 None
None
None
CAC  A 705 ( 4.8A)
None
 1.20A 4fgjA-2i0kA:
undetectable
4fgjB-2i0kA:
undetectable		 4fgjA-2i0kA:
20.17
4fgjB-2i0kA:
20.17
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.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		5 GLY A 765
GLY A 764
ASN A 753
GLU A 798
ILE A 807
 MG  A1939 (-3.8A)
None
None
None
None
 1.34A 4fgjA-2yhgA:
2.3
4fgjB-2yhgA:
3.9		 4fgjA-2yhgA:
19.85
4fgjB-2yhgA:
19.85
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.
3mt1 PUTATIVE
CARBOXYNORSPERMIDINE
DECARBOXYLASE
PROTEIN

(Sinorhizobium
meliloti) 		PF00278
(Orn_DAP_Arg_deC) 		5 GLY A 198
GLY A 197
ASN A 163
ILE A 227
PHE A 173
 SO4  A 401 (-3.6A)
None
None
None
None
 1.40A 4fgjA-3mt1A:
0.0
4fgjB-3mt1A:
0.2		 4fgjA-3mt1A:
21.74
4fgjB-3mt1A:
21.74
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.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		5 GLY A 273
GLY A 272
ASN A 270
PHE A  66
ILE A  62
 PLP  A 701 (-3.5A)
PLP  A 701 ( 4.2A)
None
None
None
 1.39A 4fgjA-3nzpA:
0.1
4fgjB-3nzpA:
0.7		 4fgjA-3nzpA:
16.69
4fgjB-3nzpA:
16.69
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.
3r89 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Anaerococcus
prevotii) 		PF00215
(OMPdecase) 		5 GLY A 243
GLY A 244
PHE A 121
ILE A  59
PHE A 148
 None
 0.95A 4fgjA-3r89A:
undetectable
4fgjB-3r89A:
0.9		 4fgjA-3r89A:
24.03
4fgjB-3r89A:
24.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		6 TRP A 105
GLY A 149
GLY A 150
MET A 154
ASN A 161
GLU A 193
 FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
None
FAD  A 232 ( 3.1A)
 0.15A 4fgjA-3te7A:
39.1
4fgjB-3te7A:
39.7		 4fgjA-3te7A:
98.28
4fgjB-3te7A:
98.28
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.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 GLY A 244
GLY A 246
GLU A  92
ILE A 739
PHE A 589
 None
 1.30A 4fgjA-4a01A:
undetectable
4fgjB-4a01A:
undetectable		 4fgjA-4a01A:
16.29
4fgjB-4a01A:
16.29
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.
4ayj BOGT -
METAL-INDEPENDENT
GLYCOSYLTRANSFERASE

(Bacteroides
ovatus) 		PF03414
(Glyco_transf_6) 		5 GLY A 161
GLY A 160
PHE A  28
ILE A 108
PHE A  94
 None
 1.24A 4fgjA-4ayjA:
1.6
4fgjB-4ayjA:
undetectable		 4fgjA-4ayjA:
19.47
4fgjB-4ayjA:
19.47
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.
4c1o BETA-XYLOSIDASE

(Parageobacillus
thermoglucosidasius) 		PF03512
(Glyco_hydro_52) 		5 GLY A  52
GLY A  53
PHE A 136
ILE A 138
PHE A 183
 None
 1.35A 4fgjA-4c1oA:
undetectable
4fgjB-4c1oA:
undetectable		 4fgjA-4c1oA:
15.11
4fgjB-4c1oA:
15.11
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.
4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		5 TRP A 292
GLY A 244
PHE A 302
ILE A 304
PHE A 251
 None
 1.41A 4fgjA-4i04A:
undetectable
4fgjB-4i04A:
undetectable		 4fgjA-4i04A:
20.06
4fgjB-4i04A:
20.06
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.
4j2u ENOYL-COA HYDRATASE

(Rhodobacter
sphaeroides) 		PF16113
(ECH_2) 		5 GLY A 113
GLY A 114
GLU A 136
PHE A 179
ILE A 132
 None
 1.45A 4fgjA-4j2uA:
undetectable
4fgjB-4j2uA:
1.5		 4fgjA-4j2uA:
19.46
4fgjB-4j2uA:
19.46
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.
4m5b COBALAMIN
BIOSYNTHESIS PROTEIN
CBIM

(Caldanaerobacter
subterraneus) 		PF01891
(CbiM) 		5 TRP A  81
GLY A 123
GLY A 121
PHE A 115
ILE A 116
 None
HEZ  A 313 ( 4.1A)
None
HEZ  A 313 ( 4.4A)
HEZ  A 313 (-4.7A)
 1.46A 4fgjA-4m5bA:
undetectable
4fgjB-4m5bA:
undetectable		 4fgjA-4m5bA:
24.18
4fgjB-4m5bA:
24.18
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.
4oh1 L-IDITOL
2-DEHYDROGENASE

([Clostridium]
scindens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  72
GLY A 128
GLU A  74
PHE A 333
ILE A 346
 None
None
ZN  A 401 (-3.1A)
None
None
 1.24A 4fgjA-4oh1A:
undetectable
4fgjB-4oh1A:
undetectable		 4fgjA-4oh1A:
20.56
4fgjB-4oh1A:
20.56
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.
4q1j POLYKETIDE
BIOSYNTHESIS
ENOYL-COA ISOMERASE
PKSI

(Bacillus
subtilis) 		PF00378
(ECH_1) 		5 GLY A 108
GLY A 107
ASN A 130
PHE A 234
ILE A  74
 None
 1.36A 4fgjA-4q1jA:
undetectable
4fgjB-4q1jA:
undetectable		 4fgjA-4q1jA:
23.24
4fgjB-4q1jA:
23.24
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.
4u8h CRYPTOCHROME-2

(Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 TRP A 466
GLY A 435
GLY A 437
PHE A 355
ILE A 358
 None
 1.43A 4fgjA-4u8hA:
undetectable
4fgjB-4u8hA:
undetectable		 4fgjA-4u8hA:
17.03
4fgjB-4u8hA:
17.03
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.
5hws 2-DEHYDROPANTOATE
2-REDUCTASE

(Thermococcus
kodakarensis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 GLY A 118
GLY A 117
PHE A  15
ILE A  70
PHE A 160
 None
 1.34A 4fgjA-5hwsA:
4.3
4fgjB-5hwsA:
4.4		 4fgjA-5hwsA:
20.62
4fgjB-5hwsA:
20.62
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.
5n4c PROLYL
OLIGOPEPTIDASE

(Galerina
marginata) 		no annotation 5 GLY A 602
GLY A 603
MET A 584
PHE A 670
ILE A 689
 None
 1.33A 4fgjA-5n4cA:
1.7
4fgjB-5n4cA:
1.7		 4fgjA-5n4cA:
15.33
4fgjB-5n4cA:
15.33
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.
6cqb CHALCONE SYNTHASE

(Piper
methysticum) 		no annotation 5 GLY A 307
GLY A 306
PHE A 266
ILE A 255
PHE A 216
 None
 1.22A 4fgjA-6cqbA:
undetectable
4fgjB-6cqbA:
undetectable		 4fgjA-6cqbA:
undetectable
4fgjB-6cqbA:
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.
6dft -

(-) 		no annotation 5 GLY B 100
GLY B 101
PHE B 150
ILE B 179
PHE B 146
 NAD  B 500 (-3.5A)
None
None
None
None
 1.23A 4fgjA-6dftB:
3.3
4fgjB-6dftB:
3.4		 4fgjA-6dftB:
undetectable
4fgjB-6dftB:
undetectable