SIMILAR PATTERNS OF AMINO ACIDS FOR 2Y6R_A_CTCA1385

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.
1w27 PHENYLALANINE
AMMONIA-LYASE 1

(Petroselinum
crispum) 		PF00221
(Lyase_aromatic) 		5 ASP A 205
ASN A 260
GLY A 398
PRO A 404
GLY A 494
 MDO  A 203 ( 4.3A)
DTT  A1717 (-2.8A)
None
None
None
 1.45A 2y6rA-1w27A:
undetectable		 2y6rA-1w27A:
21.50
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.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 ASP A 573
PHE A 350
GLY A 349
PRO A 544
GLY A 542
 None
 1.44A 2y6rA-1z68A:
0.0		 2y6rA-1z68A:
19.64
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.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 GLN A 554
ARG A 820
GLY A 770
PRO A 808
GLY A 813
 None
 1.26A 2y6rA-2dw4A:
4.8		 2y6rA-2dw4A:
21.00
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.
2wk2 CHITINASE A

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 388
 None
None
None
None
NGT  A1565 (-3.7A)
 1.32A 2y6rA-2wk2A:
undetectable		 2y6rA-2wk2A:
22.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		5 ASP A  61
ARG A 213
PHE A 224
PRO A 318
GLY A 321
 None
SO4  A   1 (-4.5A)
None
FAD  A 401 (-4.4A)
None
 1.49A 2y6rA-3p9uA:
56.7		 2y6rA-3p9uA:
94.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		9 ASP A  61
GLN A 192
ARG A 213
MET A 215
ASN A 226
GLY A 236
PRO A 318
GLY A 321
MET A 375
 None
FAD  A 401 (-3.4A)
SO4  A   1 (-4.5A)
None
SO4  A   1 (-4.5A)
None
FAD  A 401 (-4.4A)
None
None
 0.90A 2y6rA-3p9uA:
56.7		 2y6rA-3p9uA:
94.22
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.
3wy2 ALPHA-GLUCOSIDASE

(Halomonas sp.
H11) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 ARG A  25
PHE A  77
ASN A  33
GLY A  28
MET A  60
 None
 1.45A 2y6rA-3wy2A:
0.0		 2y6rA-3wy2A:
22.69
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.
4ccl 50S RIBOSOMAL
PROTEIN L16 ARGININE
HYDROXYLASE

(Escherichia
coli) 		PF08007
(Cupin_4) 		5 GLN A 135
ASN A 194
GLY A 136
GLY A 121
MET A 112
 None
None
None
None
SO4  A1375 (-4.5A)
 1.01A 2y6rA-4cclA:
0.0		 2y6rA-4cclA:
20.95
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.
4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae) 		PF02146
(SIR2)
PF04574
(DUF592) 		5 MET A 314
PHE A 280
GLY A 279
PRO A 292
GLY A 288
 None
 1.41A 2y6rA-4iaoA:
3.7		 2y6rA-4iaoA:
23.25
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.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 ASP A 699
GLN A 434
ASN A 440
GLY A 437
PRO A 393
 None
 1.45A 2y6rA-4iglA:
0.0		 2y6rA-4iglA:
15.37
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.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		5 PHE A 157
ASN A 154
GLY A 610
PRO A 245
MET A 465
 None
 1.05A 2y6rA-4jc8A:
undetectable		 2y6rA-4jc8A:
20.74
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.
4mec HEME OXYGENASE 1

(Rattus
norvegicus) 		PF01126
(Heme_oxygenase) 		5 GLN A 145
PHE A 167
GLY A 144
GLY A 161
MET A  51
 None
 1.49A 2y6rA-4mecA:
undetectable		 2y6rA-4mecA:
18.30
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.
4q2b ENDO-1,4-BETA-D-GLUC
ANASE

(Pseudomonas
putida) 		PF01270
(Glyco_hydro_8) 		5 ASP A 220
PHE A 217
ASN A 238
GLY A 290
PRO A 282
 None
 1.47A 2y6rA-4q2bA:
undetectable		 2y6rA-4q2bA:
21.75
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.
5gpr CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 PHE A 309
ASN A 316
GLY A 312
GLY A 266
MET A 381
 PHE  A 309 ( 1.3A)
ASN  A 316 ( 0.6A)
GLY  A 312 ( 0.0A)
GLY  A 266 ( 0.0A)
MET  A 381 ( 0.0A)
 1.21A 2y6rA-5gprA:
undetectable		 2y6rA-5gprA:
22.14
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.
5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Myxococcus
xanthus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 MET A 256
PHE A 253
ASN A 304
GLY A  40
PRO A 157
 CAA  A 501 ( 3.7A)
CAA  A 501 (-3.6A)
None
GOL  A 502 (-3.0A)
CAA  A 501 ( 4.6A)
 1.40A 2y6rA-5hwqA:
undetectable		 2y6rA-5hwqA:
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 GLN A 554
ARG A 820
GLY A 770
PRO A 808
GLY A 813
 None
 1.34A 2y6rA-5l3dA:
13.2		 2y6rA-5l3dA:
19.30
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.
5mch CELLOBIOHYDROLASE
CHBI

(Daphnia pulex) 		PF00840
(Glyco_hydro_7) 		5 ASP A 412
PHE A 117
GLY A 128
PRO A 438
GLY A 436
 None
 1.32A 2y6rA-5mchA:
undetectable		 2y6rA-5mchA:
20.53
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.
5xgv PYRE3

(Streptomyces
rugosporus) 		no annotation 5 GLN A  56
ARG A 322
ASN A 297
GLY A 440
GLY A 289
 None
 1.20A 2y6rA-5xgvA:
27.5		 2y6rA-5xgvA:
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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 5 PHE A 316
ASN A 323
GLY A 319
GLY A 273
MET A 390
 None
None
None
None
GOL  A 706 (-3.3A)
 1.21A 2y6rA-5zl9A:
undetectable		 2y6rA-5zl9A:
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.
6c9w -

(-) 		no annotation 5 ARG B  98
MET B  34
ASN B 113
GLY B 116
GLY B  26
 None
 1.47A 2y6rA-6c9wB:
undetectable		 2y6rA-6c9wB:
undetectable