SIMILAR PATTERNS OF AMINO ACIDS FOR 5FES_A_SAMA408

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.
1f2p AMINOPEPTIDASE

(Streptomyces
griseus) 		PF04389
(Peptidase_M28) 		5 SER A 102
GLY A  99
LEU A  16
ARG A  27
ILE A 136
 None
 1.36A 5fesA-1f2pA:
undetectable		 5fesA-1f2pA:
20.32
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.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		5 TYR A  66
GLN A  25
SER A 139
GLY A 135
LEU A 136
 None
 1.48A 5fesA-1fokA:
undetectable		 5fesA-1fokA:
21.65
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.
1jik TYROSYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00579
(tRNA-synt_1b) 		5 TYR A  36
CYH A  37
SER A  82
GLY A 198
ILE A  71
 None
545  A 421 ( 4.2A)
None
None
None
 1.19A 5fesA-1jikA:
1.5		 5fesA-1jikA:
20.42
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.
1s1d APYRASE

(Homo sapiens) 		PF06079
(Apyrase) 		5 GLY A 327
LEU A 291
ILE A  33
TYR A  21
TYR A  35
 None
None
None
TRS  A5001 (-3.4A)
None
 1.48A 5fesA-1s1dA:
undetectable		 5fesA-1s1dA:
21.68
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.
1uxe FIBER PROTEIN

(Human
mastadenovirus
D) 		PF00541
(Adeno_knob) 		5 TYR A 280
SER A 260
GLY A 263
LEU A 262
ILE A 284
 None
 1.38A 5fesA-1uxeA:
undetectable		 5fesA-1uxeA:
17.89
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.
1yfm FUMARASE

(Saccharomyces
cerevisiae) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 GLN A 232
SER A 312
GLY A 236
LEU A 309
ILE A 416
 None
 1.49A 5fesA-1yfmA:
undetectable		 5fesA-1yfmA:
22.00
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.
2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		5 GLN A 368
SER A 365
ARG A 370
ILE A 378
TYR A 375
 None
 1.09A 5fesA-2ehqA:
1.1		 5fesA-2ehqA:
23.03
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.
2g28 PYRUVATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00456
(Transketolase_N) 		5 SER A 760
GLY A 712
LEU A 764
ARG A 766
TYR A 687
 None
 1.14A 5fesA-2g28A:
0.4		 5fesA-2g28A:
17.71
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.
2nsm CARBOXYPEPTIDASE N
CATALYTIC CHAIN

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 TYR A 238
GLY A  72
LEU A  71
MET A 245
ILE A 259
 None
 1.20A 5fesA-2nsmA:
undetectable		 5fesA-2nsmA:
24.42
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.
2qgs PROTEIN SE1688

(Staphylococcus
epidermidis) 		no annotation 5 GLY A 132
LEU A 178
ARG A 124
MET A 185
ILE A 118
 None
 1.38A 5fesA-2qgsA:
undetectable		 5fesA-2qgsA:
20.42
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 TYR A 487
CYH A 622
GLY A 506
ILE A 627
TYR A 624
 None
 1.25A 5fesA-2x58A:
undetectable		 5fesA-2x58A:
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.
3a9v 4-COUMARATE--COA
LIGASE

(Populus
tomentosa) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLN A 209
SER A 206
GLY A 202
LEU A 203
ILE A 385
 None
 1.49A 5fesA-3a9vA:
undetectable		 5fesA-3a9vA:
22.39
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.
3bq3 DEFECTIVE IN CULLIN
NEDDYLATION PROTEIN
1

(Saccharomyces
cerevisiae) 		PF03556
(Cullin_binding)
PF14555
(UBA_4) 		5 TYR A  50
GLN A  77
LEU A 131
ARG A 127
ILE A  55
 None
 1.47A 5fesA-3bq3A:
undetectable		 5fesA-3bq3A:
20.39
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.
3e6e ALANINE RACEMASE

(Enterococcus
faecalis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 CYH A 360
LEU A  67
ILE A 354
TYR A 228
TYR A 356
 None
None
None
None
DCS  A 372 (-4.5A)
 1.49A 5fesA-3e6eA:
7.1		 5fesA-3e6eA:
23.49
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 SER A 981
LEU A 984
ARG A 983
ILE A 799
TYR A 793
 None
 1.38A 5fesA-3opyA:
undetectable		 5fesA-3opyA:
16.34
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.
3stb SINGLE DOMAIN
ANTIBODY VHH
RNA-EDITING COMPLEX
PROTEIN MP42
MP18 RNA EDITING
COMPLEX PROTEIN

(Lama glama;
Trypanosoma
brucei;
Trypanosoma
brucei) 		PF07686
(V-set)
no annotation
PF00436
(SSB) 		5 SER C 324
GLY C 326
ARG A  29
ILE A 110
TYR D 117
 None
 1.38A 5fesA-3stbC:
undetectable		 5fesA-3stbC:
15.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t7v METHYLORNITHINE
SYNTHASE PYLB

(Methanosarcina
barkeri) 		PF04055
(Radical_SAM) 		5 CYH A  78
GLY A 148
LEU A 168
ARG A 190
TYR A  66
 SF4  A 991 (-2.3A)
SAM  A 992 ( 3.8A)
None
SAM  A 992 (-3.3A)
None
 0.80A 5fesA-3t7vA:
38.5		 5fesA-3t7vA:
30.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t7v METHYLORNITHINE
SYNTHASE PYLB

(Methanosarcina
barkeri) 		PF04055
(Radical_SAM) 		5 CYH A  78
SER A 146
GLY A 148
LEU A 168
ARG A 190
 SF4  A 991 (-2.3A)
MD0  A 993 (-2.8A)
SAM  A 992 ( 3.8A)
None
SAM  A 992 (-3.3A)
 0.51A 5fesA-3t7vA:
38.5		 5fesA-3t7vA:
30.49
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.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		5 GLN A 256
SER A 253
GLY A 249
LEU A 250
ILE A 432
 None
 1.46A 5fesA-3tsyA:
undetectable		 5fesA-3tsyA:
16.41
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.
3w6d LYSOZYME-LIKE
CHITINOLYTIC ENZYME

(Ralstonia sp.
A-471) 		no annotation 5 TYR A 228
GLN A 141
GLY A 157
LEU A 148
TYR A 214
 None
NAG  A 303 (-3.0A)
None
NAG  A 304 ( 4.6A)
NAG  A 302 (-3.7A)
 1.35A 5fesA-3w6dA:
undetectable		 5fesA-3w6dA:
16.57
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.
4ac1 ENDO-N-ACETYL-BETA-D
-GLUCOSAMINIDASE

(Trichoderma
reesei) 		PF00704
(Glyco_hydro_18) 		5 TYR X 195
GLN X  14
SER X  44
GLY X  88
MET X 257
 ACT  X1288 (-4.7A)
None
None
ZN  X1291 ( 4.5A)
ACT  X1288 ( 4.9A)
 1.47A 5fesA-4ac1X:
6.3		 5fesA-4ac1X:
20.89
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.
4bnd ALPHA-PHOSPHOGLUCOMU
TASE

(Lactococcus
lactis) 		PF03332
(PMM) 		5 GLN B  74
SER B 130
ARG B 128
ILE B  50
TYR B  76
 None
None
GOL  B1256 (-3.5A)
None
None
 1.25A 5fesA-4bndB:
undetectable		 5fesA-4bndB:
23.16
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.
4f3l CIRCADIAN LOCOMOTER
OUTPUT CYCLES
PROTEIN KAPUT
BMAL1B

(Mus musculus;
Mus musculus) 		PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11)
PF00010
(HLH)
PF00989
(PAS)
PF14598
(PAS_11) 		5 CYH A 195
SER A 153
GLY A 129
ILE B 333
TYR A 210
 None
 1.14A 5fesA-4f3lA:
undetectable		 5fesA-4f3lA:
21.97
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.
4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF13416
(SBP_bac_8) 		5 GLN A 269
SER A 147
ARG A 180
TYR A 343
TYR A 106
 None
None
GOL  A 410 (-3.5A)
ACT  A 413 ( 4.6A)
ACT  A 413 ( 3.9A)
 1.47A 5fesA-4i1dA:
undetectable		 5fesA-4i1dA:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jxc FEFE-HYDROGENASE
MATURASE

(Thermotoga
maritima) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		5 CYH A  67
SER A 136
GLY A 138
ARG A 159
MET A 199
 SF4  A 401 (-2.3A)
SAM  A 402 (-3.9A)
SAM  A 402 (-3.8A)
SAM  A 402 ( 4.2A)
SAM  A 402 (-3.5A)
 1.46A 5fesA-4jxcA:
64.2		 5fesA-4jxcA:
96.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4jxc FEFE-HYDROGENASE
MATURASE

(Thermotoga
maritima) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		12 TYR A  69
CYH A  70
GLN A 107
SER A 136
GLY A 138
LEU A 158
ARG A 159
ARG A 180
MET A 199
ILE A 231
TYR A 303
TYR A 306
 SAM  A 402 (-4.6A)
SF4  A 401 (-2.2A)
SAM  A 402 ( 3.8A)
SAM  A 402 (-3.9A)
SAM  A 402 (-3.8A)
None
SAM  A 402 ( 4.2A)
SAM  A 402 (-3.3A)
SAM  A 402 (-3.5A)
SAM  A 402 (-4.4A)
None
SAM  A 402 ( 4.6A)
 0.11A 5fesA-4jxcA:
64.2		 5fesA-4jxcA:
96.09
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.
4mfz DBV8 PROTEIN

(Nonomuraea
gerenzanensis) 		no annotation 5 TYR A 209
SER A 236
GLY A 234
LEU A 239
ILE A 205
 None
MFK  A 401 (-3.4A)
MFK  A 401 ( 3.9A)
MFK  A 401 ( 4.9A)
None
 1.44A 5fesA-4mfzA:
undetectable		 5fesA-4mfzA:
23.08
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.
4rkz PUTATIVE
UNCHARACTERIZED
PROTEIN TA1305

(Thermoplasma
acidophilum) 		no annotation 5 SER A 114
GLY A 116
LEU A 135
ILE A  14
TYR A  39
 None
 1.49A 5fesA-4rkzA:
undetectable		 5fesA-4rkzA:
24.44
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.
4rtb HYDG PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		5 TYR A  94
CYH A  95
LEU A 186
ARG A 211
TYR A  83
 SAM  A 501 (-4.5A)
SF4  A 502 ( 2.7A)
None
SAM  A 501 (-2.7A)
None
 0.99A 5fesA-4rtbA:
34.0		 5fesA-4rtbA:
26.68
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.
4yb6 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Campylobacter
jejuni) 		PF01634
(HisG)
PF08029
(HisG_C) 		5 GLN A  85
GLY A  88
LEU A  87
ILE A 196
TYR A  93
 None
 1.38A 5fesA-4yb6A:
undetectable		 5fesA-4yb6A:
22.60
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.
5de0 DEFERROCHELATASE

(Vibrio cholerae) 		PF04261
(Dyp_perox) 		5 GLY A 114
LEU A  40
ILE A 247
TYR A 129
TYR A  18
 None
 1.45A 5fesA-5de0A:
undetectable		 5fesA-5de0A:
20.91
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.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 GLY A 374
LEU A 328
ILE A 458
TYR A 385
TYR A 438
 None
 1.33A 5fesA-5hqbA:
3.4		 5fesA-5hqbA:
19.02
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.
5mkm TWO-DOMAIN LACCASE

(Streptomyces
griseoflavus) 		no annotation 5 TYR A  66
SER A 121
MET A  54
ILE A  80
TYR A 109
 None
 1.50A 5fesA-5mkmA:
undetectable		 5fesA-5mkmA:
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.
5mlg RENIN

(Rattus
norvegicus) 		no annotation 5 TYR A  58
GLN A 342
SER A 273
GLY A 357
ILE A 160
 None
 1.22A 5fesA-5mlgA:
undetectable		 5fesA-5mlgA:
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.
5msc CARBOXYLIC ACID
REDUCTASE

(Nocardia
iowensis) 		PF00501
(AMP-binding) 		5 GLN A 287
LEU A  30
ARG A  28
ARG A  58
ILE A  14
 None
 1.43A 5fesA-5mscA:
undetectable		 5fesA-5mscA:
15.60
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.
5mzn HELICASE
SEN1,HELICASE SEN1

(Saccharomyces
cerevisiae) 		PF13086
(AAA_11)
PF13087
(AAA_12) 		5 GLN A1619
GLY A1357
ARG A1656
MET A1657
ILE A1825
 PEG  A2057 ( 2.9A)
None
PEG  A2057 ( 3.5A)
None
None
 1.27A 5fesA-5mznA:
undetectable		 5fesA-5mznA:
18.74
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.
5ubg ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Campylobacter
jejuni) 		no annotation 5 GLN A  85
GLY A  88
LEU A  87
ILE A 196
TYR A  93
 None
 1.41A 5fesA-5ubgA:
undetectable		 5fesA-5ubgA:
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.
5xbp 3NT OXYGENASE ALPHA
SUBUNIT

(Diaphorobacter
sp. DS2) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 TYR A 415
GLN A 239
SER A 249
GLY A 247
ILE A 382
 None
 1.29A 5fesA-5xbpA:
undetectable		 5fesA-5xbpA:
23.03
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.
5xbp 3NT OXYGENASE ALPHA
SUBUNIT

(Diaphorobacter
sp. DS2) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		5 TYR A 415
GLN A 239
SER A 249
GLY A 296
ILE A 382
 None
 1.49A 5fesA-5xbpA:
undetectable		 5fesA-5xbpA:
23.03
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.
6bv2 AMINOPEPTIDASE N

(Sus scrofa) 		no annotation 5 GLN A 338
SER A 336
GLY A 353
LEU A 333
TYR A 357
 None
 1.18A 5fesA-6bv2A:
undetectable		 5fesA-6bv2A:
undetectable