SIMILAR PATTERNS OF AMINO ACIDS FOR 5FUQ_A_ACTA1278

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.
1bxn PROTEIN (RIBULOSE
BISPHOSPHATE
CARBOXYLASE SMALL
CHAIN)

(Cupriavidus
necator) 		PF00101
(RuBisCO_small) 		4 SER I 127
GLN I   5
ILE I   3
TYR I  79
 None
 1.41A 5fuqA-1bxnI:
0.0
5fuqB-1bxnI:
0.0		 5fuqA-1bxnI:
18.98
5fuqB-1bxnI:
18.98
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.
1fbw ENDO-1,4-BETA-GLUCAN
ASE F

([Clostridium]
cellulolyticum) 		PF02011
(Glyco_hydro_48) 		4 HIS A 318
SER A 317
ILE A 314
TYR A 275
 None
None
GLC  A3095 ( 4.6A)
GLC  A3095 (-4.7A)
 1.37A 5fuqA-1fbwA:
0.0
5fuqB-1fbwA:
0.0		 5fuqA-1fbwA:
18.84
5fuqB-1fbwA:
18.84
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.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 HIS A2543
SER A2693
ILE A2545
TYR A2691
 CUO  A 888 (-3.4A)
None
None
None
 1.45A 5fuqA-1js8A:
0.0
5fuqB-1js8A:
0.0		 5fuqA-1js8A:
19.90
5fuqB-1js8A:
19.90
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.
1xj5 SPERMIDINE SYNTHASE
1

(Arabidopsis
thaliana) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 HIS A 241
GLN A 234
ILE A 275
TYR A 270
 None
 1.39A 5fuqA-1xj5A:
3.1
5fuqB-1xj5A:
2.7		 5fuqA-1xj5A:
20.48
5fuqB-1xj5A:
20.48
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.
2czq CUTINASE-LIKE
PROTEIN

(Cryptococcus
sp. S-2) 		PF01083
(Cutinase) 		4 SER A  24
GLN A 190
ILE A 114
TYR A 183
 None
 1.12A 5fuqA-2czqA:
4.9
5fuqB-2czqA:
4.4		 5fuqA-2czqA:
20.88
5fuqB-2czqA:
20.88
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.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		4 HIS A 447
SER A 437
ILE A 449
TYR A 407
 None
 1.08A 5fuqA-2e0pA:
1.1
5fuqB-2e0pA:
0.5		 5fuqA-2e0pA:
17.78
5fuqB-2e0pA:
17.78
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.
2odr PHOSPHOSERYL-TRNA
SYNTHETASE

(Methanococcus
maripaludis) 		PF01409
(tRNA-synt_2d) 		4 HIS B 186
SER B 185
GLN B  81
ILE B  78
 None
 1.38A 5fuqA-2odrB:
0.0
5fuqB-2odrB:
0.0		 5fuqA-2odrB:
19.63
5fuqB-2odrB:
19.63
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.
2psm INTERLEUKIN-15
INTERLEUKIN-15
RECEPTOR ALPHA CHAIN

(Mus musculus;
Mus musculus) 		PF02372
(IL15)
no annotation 		4 HIS A  52
SER F  41
ILE A  50
TYR A  54
 None
 1.47A 5fuqA-2psmA:
0.0
5fuqB-2psmA:
0.0		 5fuqA-2psmA:
18.80
5fuqB-2psmA:
18.80
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.
3al2 DNA TOPOISOMERASE
2-BINDING PROTEIN 1

(Homo sapiens) 		PF00533
(BRCT) 		4 HIS A1311
SER A1274
GLN A1367
TYR A1318
 None
SO4  A   1 (-4.7A)
None
None
 1.47A 5fuqA-3al2A:
0.0
5fuqB-3al2A:
0.0		 5fuqA-3al2A:
21.51
5fuqB-3al2A:
21.51
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.
3ds8 LIN2722 PROTEIN

(Listeria
innocua) 		PF06028
(DUF915) 		4 HIS A 101
SER A 102
GLN A 223
ILE A 190
 SO4  A 256 (-3.8A)
SO4  A 255 (-2.2A)
None
None
 1.50A 5fuqA-3ds8A:
2.6
5fuqB-3ds8A:
3.5		 5fuqA-3ds8A:
23.29
5fuqB-3ds8A:
23.29
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.
4c25 L-FUCULOSE PHOSPHATE
ALDOLASE

(Streptococcus
pneumoniae) 		PF00596
(Aldolase_II) 		4 HIS A  78
SER A  29
GLN A  81
ILE A  88
 None
 1.48A 5fuqA-4c25A:
undetectable
5fuqB-4c25A:
undetectable		 5fuqA-4c25A:
21.71
5fuqB-4c25A:
21.71
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.
4i2o FIXK2 PROTEIN

(Bradyrhizobium
japonicum) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		4 HIS A  86
SER A  71
ILE A  51
TYR A  62
 None
 1.21A 5fuqA-4i2oA:
undetectable
5fuqB-4i2oA:
undetectable		 5fuqA-4i2oA:
22.70
5fuqB-4i2oA:
22.70
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.
4jip GTN REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		4 HIS A 100
GLN A 187
ILE A 104
TYR A 183
 None
None
None
HBA  A 402 (-4.3A)
 1.50A 5fuqA-4jipA:
1.0
5fuqB-4jipA:
undetectable		 5fuqA-4jipA:
21.90
5fuqB-4jipA:
21.90
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 HIS A1159
GLN A1181
ILE A1616
TYR A1140
 None
 1.22A 5fuqA-4o9xA:
undetectable
5fuqB-4o9xA:
undetectable		 5fuqA-4o9xA:
7.74
5fuqB-4o9xA:
7.74
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.
4psp ALPHA-FUCOSIDASE
GH29

(Fusarium
graminearum) 		PF01120
(Alpha_L_fucos)
PF16757
(Fucosidase_C) 		4 SER A 310
GLN A 355
ILE A 317
TYR A 313
 None
 1.34A 5fuqA-4pspA:
1.6
5fuqB-4pspA:
2.0		 5fuqA-4pspA:
19.76
5fuqB-4pspA:
19.76
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.
4uoe SPERMIDINE SYNTHASE

(Plasmodium
falciparum) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		4 HIS A 236
SER A 232
GLN A 229
TYR A 264
 None
None
4ZY  A 501 (-4.2A)
4ZY  A 501 (-3.4A)
 1.50A 5fuqA-4uoeA:
undetectable
5fuqB-4uoeA:
undetectable		 5fuqA-4uoeA:
22.55
5fuqB-4uoeA:
22.55
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.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans) 		PF02011
(Glyco_hydro_48) 		4 HIS A 310
SER A 309
ILE A 306
TYR A 267
 None
 1.37A 5fuqA-4xwlA:
undetectable
5fuqB-4xwlA:
undetectable		 5fuqA-4xwlA:
17.45
5fuqB-4xwlA:
17.45
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.
5b6k UNCHARACTERIZED
PROTEIN CGKR1

([Candida]
glabrata) 		PF01370
(Epimerase) 		4 HIS A  22
GLN A  21
ILE A  51
TYR A 215
 None
 1.24A 5fuqA-5b6kA:
5.3
5fuqB-5b6kA:
undetectable		 5fuqA-5b6kA:
21.64
5fuqB-5b6kA:
21.64
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		4 HIS A 317
SER A 316
ILE A 313
TYR A 268
 None
None
None
EDO  A 808 (-4.6A)
 1.32A 5fuqA-5bv9A:
undetectable
5fuqB-5bv9A:
undetectable		 5fuqA-5bv9A:
18.19
5fuqB-5bv9A:
18.19
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.
5epd GLYCEROL TRINITRATE
REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		4 HIS A 103
GLN A 185
ILE A 107
TYR A 181
 None
 1.45A 5fuqA-5epdA:
undetectable
5fuqB-5epdA:
undetectable		 5fuqA-5epdA:
21.91
5fuqB-5epdA:
21.91
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.
5gam PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08082
(PRO8NT)
PF08083
(PROCN) 		4 HIS A 146
SER A 196
GLN A 574
ILE A 199
 None
 1.08A 5fuqA-5gamA:
undetectable
5fuqB-5gamA:
undetectable		 5fuqA-5gamA:
16.45
5fuqB-5gamA:
16.45
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.
5lgx PENTAERYTHRITOL
TETRANITRATE
REDUCTASE

(Enterobacter
cloacae) 		PF00724
(Oxidored_FMN) 		4 HIS A 103
GLN A 190
ILE A 107
TYR A 186
 None
 1.45A 5fuqA-5lgxA:
1.3
5fuqB-5lgxA:
undetectable		 5fuqA-5lgxA:
21.24
5fuqB-5lgxA:
21.24
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.
5yhp COLD ACTIVE PROLINE
IMINOPEPTIDASE

(Glaciozyma
antarctica) 		no annotation 4 HIS A 297
SER A 111
GLN A 265
ILE A 136
 FLC  A 402 (-3.7A)
FLC  A 402 (-2.5A)
None
None
 1.43A 5fuqA-5yhpA:
2.0
5fuqB-5yhpA:
undetectable		 5fuqA-5yhpA:
20.60
5fuqB-5yhpA:
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.
5yj6 DOCKERIN TYPE I
REPEAT-CONTAINING
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 4 HIS A 346
SER A 345
ILE A 342
TYR A 302
 None
 1.32A 5fuqA-5yj6A:
undetectable
5fuqB-5yj6A:
undetectable		 5fuqA-5yj6A:
undetectable
5fuqB-5yj6A:
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.
6b07 FARNESYL DIPHOSPHATE
SYNTHASE

(Choristoneura
fumiferana) 		no annotation 4 HIS A 341
SER A 336
ILE A 306
TYR A 334
 None
 1.43A 5fuqA-6b07A:
undetectable
5fuqB-6b07A:
undetectable		 5fuqA-6b07A:
undetectable
5fuqB-6b07A:
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.
6ei1 ZINC FINGER WITH
UFM1-SPECIFIC
PEPTIDASE DOMAIN
PROTEIN

(Homo sapiens) 		no annotation 4 SER A 351
GLN A 366
ILE A 390
TYR A 362
 None
 0.99A 5fuqA-6ei1A:
undetectable
5fuqB-6ei1A:
undetectable		 5fuqA-6ei1A:
undetectable
5fuqB-6ei1A:
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.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 4 HIS A 437
SER A 432
GLN A 466
ILE A 406
 None
 1.39A 5fuqA-6f8zA:
undetectable
5fuqB-6f8zA:
undetectable		 5fuqA-6f8zA:
undetectable
5fuqB-6f8zA:
undetectable