SIMILAR PATTERNS OF AMINO ACIDS FOR 5YCN_A_8LXA501_1

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.
1jdi L-RIBULOSE 5
PHOSPHATE
4-EPIMERASE

(Escherichia
coli) 		PF00596
(Aldolase_II) 		4 PHE A 174
SER A  75
HIS A 171
TYR A 141
 None
None
ZN  A 301 (-3.1A)
None
 1.20A 5ycnA-1jdiA:
0.0		 5ycnA-1jdiA:
22.26
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.
2kd0 LRR REPEATS AND
UBIQUITIN-LIKE
DOMAIN-CONTAINING
PROTEIN AT2G30105

(Arabidopsis
thaliana) 		PF00240
(ubiquitin) 		4 CYH A  32
SER A  29
HIS A  10
HIS A   7
 None
 1.47A 5ycnA-2kd0A:
undetectable		 5ycnA-2kd0A:
16.33
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.
2nlk PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, G
VARIANT (FRAGMENT)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 CYH A1316
HIS A1350
HIS A1313
TYR A1262
 None
 1.50A 5ycnA-2nlkA:
0.0		 5ycnA-2nlkA:
19.49
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.
2ox4 PUTATIVE MANDELATE
RACEMASE

(Zymomonas
mobilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 SER A 326
HIS A 339
HIS A 341
TYR A 365
 None
 1.34A 5ycnA-2ox4A:
0.0		 5ycnA-2ox4A:
21.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 CYH A 276
SER A 280
HIS A 440
TYR A 464
 735  A 469 (-2.9A)
735  A 469 (-2.8A)
735  A 469 (-4.0A)
735  A 469 (-4.6A)
 0.68A 5ycnA-2p54A:
37.6		 5ycnA-2p54A:
61.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2p54 PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 PHE A 273
CYH A 276
SER A 280
TYR A 464
 735  A 469 (-3.7A)
735  A 469 (-2.9A)
735  A 469 (-2.8A)
735  A 469 (-4.6A)
 0.52A 5ycnA-2p54A:
37.6		 5ycnA-2p54A:
61.94
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.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 PHE A 627
CYH A 591
SER A 594
HIS A 659
 None
 1.32A 5ycnA-2qo3A:
0.0		 5ycnA-2qo3A:
14.85
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.
2x25 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
A

(Homo sapiens) 		PF00160
(Pro_isomerase) 		4 PHE B  60
CYH B 115
SER B  99
HIS B 126
 None
None
None
ALY  B 125 ( 3.6A)
 1.47A 5ycnA-2x25B:
0.0		 5ycnA-2x25B:
19.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b0q PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 PHE A 282
CYH A 285
SER A 289
HIS A 323
HIS A 449
TYR A 473
 MC5  A   1 (-4.4A)
MC5  A   1 (-3.6A)
MC5  A   1 (-2.6A)
MC5  A   1 (-3.8A)
MC5  A   1 (-3.9A)
MC5  A   1 (-4.9A)
 0.39A 5ycnA-3b0qA:
41.8		 5ycnA-3b0qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 CYH A 285
HIS A 323
HIS A 449
TYR A 473
 L41  A 501 (-3.5A)
L41  A 501 (-3.8A)
L41  A 501 (-3.9A)
L41  A 501 (-4.8A)
 0.60A 5ycnA-3d5fA:
36.7		 5ycnA-3d5fA:
62.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d5f PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR DELTA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 PHE A 282
CYH A 285
HIS A 323
TYR A 473
 L41  A 501 ( 4.9A)
L41  A 501 (-3.5A)
L41  A 501 (-3.8A)
L41  A 501 (-4.8A)
 0.64A 5ycnA-3d5fA:
36.7		 5ycnA-3d5fA:
62.92
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.
3dls PAS
DOMAIN-CONTAINING
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		4 PHE A1162
CYH A1163
SER A1149
HIS A1126
 None
 1.47A 5ycnA-3dlsA:
0.0		 5ycnA-3dlsA:
20.34
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.
3gyd CYCLIC
NUCLEOTIDE-BINDING
DOMAIN

(Methylobacillus
flagellatus) 		PF00027
(cNMP_binding) 		4 PHE A 118
CYH A  45
HIS A  -8
TYR A   2
 None
 1.25A 5ycnA-3gydA:
undetectable		 5ycnA-3gydA:
22.18
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.
3k7d GLUTAMATE-AMMONIA-LI
GASE
ADENYLYLTRANSFERASE

(Escherichia
coli) 		PF03710
(GlnE)
PF08335
(GlnD_UR_UTase) 		4 CYH A 559
SER A 557
HIS A 554
TYR A 586
 None
SO4  A  12 (-3.4A)
None
None
 1.40A 5ycnA-3k7dA:
undetectable		 5ycnA-3k7dA:
21.56
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.
3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT

(Acetoanaerobium
sticklandii) 		PF02310
(B12-binding)
PF09043
(Lys-AminoMut_A)
PF16554
(OAM_dimer) 		4 CYH A 263
SER A 265
HIS A 158
TYR A 160
 None
Z97  A 767 ( 4.6A)
None
Z97  A 767 (-4.7A)
 1.21A 5ycnA-3koyA:
undetectable		 5ycnA-3koyA:
16.12
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.
3mpd NUCLEOSIDE
DIPHOSPHATE KINASE

(Encephalitozoon
cuniculi) 		PF00334
(NDK) 		4 CYH A 119
SER A 117
HIS A  48
HIS A  51
 None
 1.50A 5ycnA-3mpdA:
undetectable		 5ycnA-3mpdA:
19.71
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.
3oos ALPHA/BETA HYDROLASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00561
(Abhydrolase_1) 		4 CYH A 234
SER A 239
HIS A  97
TYR A 226
 PG4  A 281 (-3.5A)
None
None
None
 1.49A 5ycnA-3oosA:
undetectable		 5ycnA-3oosA:
23.84
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.
3pl2 SUGAR KINASE,
RIBOKINASE FAMILY

(Corynebacterium
glutamicum) 		PF00294
(PfkB) 		4 PHE A 286
SER A 276
HIS A  55
HIS A  53
 None
 1.49A 5ycnA-3pl2A:
undetectable		 5ycnA-3pl2A:
22.81
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.
3v5r PROTEIN GAL3

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 PHE A  60
CYH A  58
SER A 297
HIS A 291
 None
 1.41A 5ycnA-3v5rA:
undetectable		 5ycnA-3v5rA:
20.04
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.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		4 SER A 215
HIS A  92
HIS A 391
TYR A  96
 FMN  A 500 (-3.5A)
FMN  A 500 (-4.3A)
FMN  A 500 (-3.7A)
FMN  A 500 (-3.4A)
 1.16A 5ycnA-3x0yA:
undetectable		 5ycnA-3x0yA:
21.55
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.
4hy7 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Triticum
aestivum) 		PF00160
(Pro_isomerase) 		4 PHE A  67
CYH A 122
SER A 106
HIS A 133
 None
 1.49A 5ycnA-4hy7A:
undetectable		 5ycnA-4hy7A:
22.01
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.
4jcp PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Brugia malayi) 		PF00160
(Pro_isomerase) 		4 PHE A  67
CYH A 122
SER A 106
HIS A 133
 None
 1.43A 5ycnA-4jcpA:
undetectable		 5ycnA-4jcpA:
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.
4jjm PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Citrus sinensis) 		PF00160
(Pro_isomerase) 		4 PHE A  67
CYH A 122
SER A 106
HIS A 133
 None
 1.46A 5ycnA-4jjmA:
undetectable		 5ycnA-4jjmA:
20.14
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.
4p1c TOLUENE-4-MONOOXYGEN
ASE SYSTEM PROTEIN A
TOLUENE-4-MONOOXYGEN
ASE SYSTEM PROTEIN E

(Pseudomonas
mendocina;
Pseudomonas
mendocina) 		PF02332
(Phenol_Hydrox)
PF02332
(Phenol_Hydrox) 		4 CYH B 151
SER B 149
HIS B  33
TYR A 105
 None
 1.43A 5ycnA-4p1cB:
undetectable		 5ycnA-4p1cB:
22.01
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.
4z8s RRNA N-GLYCOSIDASE

(Momordica
charantia) 		PF00161
(RIP) 		4 PHE A 107
SER A 150
HIS A 142
TYR A  76
 None
 1.11A 5ycnA-4z8sA:
undetectable		 5ycnA-4z8sA:
24.32
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.
5hcc COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF07677
(A2M_recep)
PF07678
(A2M_comp) 		4 SER A1007
HIS A1421
HIS A1499
TYR A1124
 None
 1.46A 5ycnA-5hccA:
undetectable		 5ycnA-5hccA:
14.86
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.
5hy5 TRYPTOPHAN
6-HALOGENASE

(Streptomyces
toxytricini) 		PF04820
(Trp_halogenase) 		4 PHE A 408
SER A  54
HIS A  96
TYR A 463
 None
 1.38A 5ycnA-5hy5A:
undetectable		 5ycnA-5hy5A:
19.69
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.
5l7k PROTEIN UNC-119
HOMOLOG A

(Homo sapiens) 		PF05351
(GMP_PDE_delta) 		4 PHE A  91
SER A 218
HIS A 165
TYR A 194
 None
 1.17A 5ycnA-5l7kA:
undetectable		 5ycnA-5l7kA:
22.06
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 4 PHE B 272
SER B 605
HIS B 264
TYR B 267
 None
 1.43A 5ycnA-5swiB:
undetectable		 5ycnA-5swiB:
16.88
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.
5t67 SUGAR 3-C-METHYL
TRANSFERASE

(Actinomadura
kijaniata) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		4 PHE A  90
SER A  83
HIS A 386
HIS A 254
 SAH  A 502 (-4.5A)
None
JHZ  A 503 (-3.9A)
JHZ  A 503 (-3.8A)
 1.46A 5ycnA-5t67A:
undetectable		 5ycnA-5t67A:
21.52
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.
5xde THERMOPHILIC
DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME C

(Paenibacillus
sp. A11-2) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		4 SER A 212
HIS A  89
HIS A 388
TYR A  93
 FMN  A 501 ( 3.3A)
FMN  A 501 (-3.5A)
FMN  A 501 (-3.2A)
FMN  A 501 (-3.9A)
 1.05A 5ycnA-5xdeA:
undetectable		 5ycnA-5xdeA:
21.67
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.
6ei3 PROTON-DEPENDENT
OLIGOPEPTIDE
TRANSPORTER FAMILY
PROTEIN

(Xanthomonas
campestris) 		no annotation 4 CYH A  28
SER A  32
HIS A 105
TYR A 101
 None
 1.45A 5ycnA-6ei3A:
undetectable		 5ycnA-6ei3A:
21.96
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.
6eu2 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC5

(Saccharomyces
cerevisiae) 		no annotation 4 SER M  84
HIS M  86
HIS M 117
TYR M 112
 None
 1.01A 5ycnA-6eu2M:
undetectable		 5ycnA-6eu2M:
undetectable