SIMILAR PATTERNS OF AMINO ACIDS FOR 4A99_B_MIYB391_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.
1tqh CARBOXYLESTERASE
PRECURSOR

(Geobacillus
stearothermophilus) 		PF12146
(Hydrolase_4) 		5 MET A 115
HIS A  23
GLY A  96
SER A 100
GLY A  36
 None
 1.19A 4a99B-1tqhA:
2.2		 4a99B-1tqhA:
20.30
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.
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
 1.34A 4a99B-2dw4A:
13.8		 4a99B-2dw4A:
20.85
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.
2gzs IROE PROTEIN

(Escherichia
coli) 		PF00756
(Esterase) 		5 ARG A 130
PHE A 291
HIS A 287
GLY A 288
GLY A 192
 DFP  A1189 (-2.8A)
None
DFP  A1189 (-3.8A)
None
None
 1.50A 4a99B-2gzsA:
undetectable		 4a99B-2gzsA:
22.67
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.
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)
 1.30A 4a99B-2wk2A:
undetectable		 4a99B-2wk2A:
22.05
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.
2y24 XYLANASE

(Dickeya
chrysanthemi) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 ARG A 319
PHE A  47
GLY A  48
GLY A 321
MET A 279
 None
 1.39A 4a99B-2y24A:
undetectable		 4a99B-2y24A:
21.69
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.
3c17 L-ASPARAGINASE
PRECURSOR

(Escherichia
coli) 		PF01112
(Asparaginase_2) 		5 PHE A  66
ASN A  67
GLY A  10
PRO A 170
GLY A 168
 None
 1.50A 4a99B-3c17A:
undetectable		 4a99B-3c17A:
20.00
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.
3fby CARTILAGE OLIGOMERIC
MATRIX PROTEIN

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		5 GLN A 604
GLY A 440
SER A 454
PRO A 690
GLY A 693
 None
 1.33A 4a99B-3fbyA:
undetectable		 4a99B-3fbyA:
19.06
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 ARG A 213
MET A 215
ASN A 226
HIS A 234
GLY A 236
SER A 238
PRO A 318
GLY A 321
MET A 375
 SO4  A   1 (-4.5A)
None
SO4  A   1 (-4.5A)
SO4  A   1 ( 4.6A)
None
None
FAD  A 401 (-4.4A)
None
None
 0.66A 4a99B-3p9uA:
58.1		 4a99B-3p9uA:
94.47
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) 		8 GLN A 192
ARG A 213
MET A 215
ASN A 226
HIS A 234
SER A 238
PRO A 318
GLY A 321
 FAD  A 401 (-3.4A)
SO4  A   1 (-4.5A)
None
SO4  A   1 (-4.5A)
SO4  A   1 ( 4.6A)
None
FAD  A 401 (-4.4A)
None
 0.92A 4a99B-3p9uA:
58.1		 4a99B-3p9uA:
94.47
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.
3u3x OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ARG A 272
HIS A 298
GLY A 292
PRO A 266
GLY A 269
 None
 1.49A 4a99B-3u3xA:
4.1		 4a99B-3u3xA:
23.36
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
 1.48A 4a99B-3wy2A:
undetectable		 4a99B-3wy2A:
22.87
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)
 1.06A 4a99B-4cclA:
undetectable		 4a99B-4cclA:
21.19
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.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1

(Homo sapiens) 		PF00400
(WD40)
PF03451
(HELP) 		5 PHE A 464
HIS A 459
GLY A 462
PRO A 505
GLY A 520
 None
 1.45A 4a99B-4ci8A:
undetectable		 4a99B-4ci8A:
21.18
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.
4fek PUTATIVE DIFLAVIN
FLAVOPROTEIN A 5

(Nostoc sp. PCC
7120) 		no annotation 5 ARG A  92
PHE A  63
ASN A  91
SER A  25
GLY A 230
 PO4  A 303 (-4.0A)
None
PO4  A 303 (-2.9A)
None
None
 1.44A 4a99B-4fekA:
undetectable		 4a99B-4fekA:
19.16
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.
4i9y E3 SUMO-PROTEIN
LIGASE RANBP2

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 PHE A  48
ASN A  50
GLY A  65
SER A 110
GLY A  45
 None
 1.40A 4a99B-4i9yA:
undetectable		 4a99B-4i9yA:
18.59
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
 1.37A 4a99B-4iaoA:
3.8		 4a99B-4iaoA:
23.45
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.
4mlg BETA-XYLOSIDASE

(uncultured
organism) 		PF04616
(Glyco_hydro_43) 		5 ARG A 301
HIS A 244
GLY A 241
GLY A  43
MET A 135
 SO4  A 402 (-3.5A)
None
None
None
None
 1.43A 4a99B-4mlgA:
undetectable		 4a99B-4mlgA:
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.
4mo2 UDP-GALACTOPYRANOSE
MUTASE

(Campylobacter
jejuni) 		no annotation 5 MET B 348
ASN B  39
GLY B  10
GLY B 192
MET B  69
 FDA  B 402 (-4.3A)
FDA  B 402 (-4.2A)
FDA  B 402 (-3.5A)
None
None
 1.46A 4a99B-4mo2B:
12.3		 4a99B-4mo2B:
20.73
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.
4rih GLYCOSYL TRANSFERASE
HOMOLOG,GLYCOSYL
TRANSFERASE

(Streptomyces
cyanogenus;
Streptomyces
fradiae) 		PF06722
(DUF1205) 		5 MET A 116
PHE A  88
HIS A  86
GLY A  89
GLY A 306
 None
 1.37A 4a99B-4rihA:
2.8		 4a99B-4rihA:
21.46
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.
4yzz TRAP TRANSPORTER
SOLUTE BINDING
PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		5 MET A 102
ASN A  96
HIS A  97
PRO A  43
GLY A  76
 None
 1.44A 4a99B-4yzzA:
undetectable		 4a99B-4yzzA:
22.78
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.
4z94 GELSOLIN,
TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA

(Homo sapiens) 		PF00626
(Gelsolin) 		5 PHE G1422
ASN G1424
HIS G1453
GLY G1451
GLY G1430
 None
 1.33A 4a99B-4z94G:
undetectable		 4a99B-4z94G:
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.
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)
 1.19A 4a99B-5gprA:
undetectable		 4a99B-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.
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
 1.42A 4a99B-5l3dA:
3.7		 4a99B-5l3dA:
19.19
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.
5xgv PYRE3

(Streptomyces
rugosporus) 		no annotation 5 GLN A  56
ARG A 322
ASN A 297
GLY A 440
GLY A 289
 None
 1.15A 4a99B-5xgvA:
27.4		 4a99B-5xgvA:
14.42
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.
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)
 1.17A 4a99B-5zl9A:
undetectable		 4a99B-5zl9A:
12.43
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.
6apg DISD PROTEIN

(Sorangium
cellulosum) 		no annotation 5 GLN A  12
ARG A 111
GLY A  10
GLY A 116
MET A 123
 None
MLI  A 301 (-3.3A)
None
None
MLI  A 301 ( 4.4A)
 1.34A 4a99B-6apgA:
undetectable		 4a99B-6apgA:
12.34