SIMILAR PATTERNS OF AMINO ACIDS FOR 5XXD_A_SAMA501

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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		5 ARG A 116
GLY A 145
ASN A 119
ASN A 126
HIS A 138
 None
CA  A 700 ( 4.9A)
CA  A 700 (-2.9A)
None
None
 1.48A 5xxdA-1h3gA:
undetectable		 5xxdA-1h3gA:
22.15
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 GLY A 980
ASN A 106
GLU A 979
ASN A 558
HIS A 975
 None
None
None
None
MGD  A1019 (-4.8A)
 1.48A 5xxdA-1kqfA:
undetectable		 5xxdA-1kqfA:
17.87
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.
1mt6 SET9

(Homo sapiens) 		PF00856
(SET)
PF02493
(MORN) 		5 GLY A 227
ASN A 265
ASN A 296
HIS A 297
TYR A 335
 SAH  A   1 ( 4.0A)
SAH  A   1 (-3.6A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.4A)
 0.33A 5xxdA-1mt6A:
5.6		 5xxdA-1mt6A:
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.
1peg HISTONE H3
METHYLTRANSFERASE
DIM-5

(Neurospora
crassa) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 ARG A 159
GLY A 160
ASN A 241
HIS A 242
TYR A 283
 None
SAH  A 319 ( 4.6A)
SAH  A 319 (-3.6A)
SAH  A 319 (-4.3A)
SAH  A 319 (-4.7A)
 0.78A 5xxdA-1pegA:
5.2		 5xxdA-1pegA:
21.48
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.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT
METHANOL
DEHYDROGENASE SMALL
SUBUNIT

(Hyphomicrobium
denitrificans;
Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF02315
(MDH) 		5 GLY A 131
ASN A 149
TYR A 187
GLU B  47
TYR B  66
 None
 1.42A 5xxdA-2d0vA:
undetectable		 5xxdA-2d0vA:
19.27
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.
2h21 RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E

(Pisum sativum) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		6 GLY A  81
ASN A 242
HIS A 243
TYR A 287
TYR A 300
PHE A 302
 SAM  A 801 (-3.7A)
SAM  A 801 (-2.9A)
SAM  A 801 (-4.9A)
SAM  A 801 (-4.8A)
None
SAM  A 801 (-3.9A)
 0.57A 5xxdA-2h21A:
10.0		 5xxdA-2h21A:
23.77
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.
2r3a HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV39H2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 ARG A 150
GLY A 151
ASN A 219
HIS A 220
TYR A 261
 None
SAM  A 304 (-3.5A)
SAM  A 304 (-3.3A)
SAM  A 304 (-4.9A)
SAM  A 304 (-4.9A)
 0.81A 5xxdA-2r3aA:
5.3		 5xxdA-2r3aA:
20.99
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.
3cbo HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7

(Homo sapiens) 		PF00856
(SET) 		5 GLY A 227
ASN A 265
ASN A 296
HIS A 297
TYR A 335
 SAH  A   1 ( 4.0A)
SAH  A   1 (-4.0A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.9A)
 0.31A 5xxdA-3cboA:
6.5		 5xxdA-3cboA:
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE

(Bacteroides
fragilis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 171
ASN A  69
TYR A  80
ASN A 333
TYR A 360
 None
 1.36A 5xxdA-3cmgA:
undetectable		 5xxdA-3cmgA:
20.70
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  16
HIS A 206
TYR A 252
TYR A 270
PHE A 272
 None
None
SFG  A 491 (-4.8A)
None
SFG  A 491 (-3.7A)
 1.17A 5xxdA-3n71A:
38.1		 5xxdA-3n71A:
29.53
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		7 GLY A  18
ASN A 180
ASN A 205
HIS A 206
TYR A 252
TYR A 270
PHE A 272
 SFG  A 491 ( 4.2A)
SFG  A 491 (-4.3A)
SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
None
SFG  A 491 (-3.7A)
 0.49A 5xxdA-3n71A:
38.1		 5xxdA-3n71A:
29.53
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  20
ASN A 180
HIS A 206
TYR A 252
TYR A 270
 None
SFG  A 491 (-4.3A)
None
SFG  A 491 (-4.8A)
None
 1.16A 5xxdA-3n71A:
38.1		 5xxdA-3n71A:
29.53
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.
3ooi HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-36 AND H4
LYSINE-20 SPECIFIC

(Homo sapiens) 		PF00856
(SET) 		5 ARG A 101
GLY A 102
ASN A 169
HIS A 170
TYR A 207
 SO4  A 235 ( 4.0A)
SAM  A 237 ( 3.7A)
SAM  A 237 (-3.3A)
SAM  A 237 (-4.7A)
None
 0.84A 5xxdA-3ooiA:
5.3		 5xxdA-3ooiA:
18.89
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.
3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		6 GLY A  74
ASN A 251
HIS A 252
TYR A 285
TYR A 297
PHE A 299
 SAM  A 484 (-3.4A)
SAM  A 484 (-3.1A)
None
SAM  A 484 (-4.8A)
None
SAM  A 484 (-3.5A)
 0.44A 5xxdA-3rc0A:
12.1		 5xxdA-3rc0A:
22.52
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.
3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 GLY A 104
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 ( 4.5A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.51A 5xxdA-3smtA:
12.1		 5xxdA-3smtA:
23.69
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.
4nf2 ORNITHINE
CARBAMOYLTRANSFERASE

(Bacillus
anthracis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ARG A  59
GLY A 295
ASN A 296
GLU A 292
HIS A 268
 CP  A 401 (-3.6A)
None
None
None
None
 1.49A 5xxdA-4nf2A:
undetectable		 5xxdA-4nf2A:
22.12
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.
4w2r ENHANCER OF ZESTE 2
POLYCOMB REPRESSIVE
COMPLEX 2 SUBUNIT

(Anolis
carolinensis) 		no annotation 5 GLY A 520
CYH A 560
ASN A 585
HIS A 586
TYR A 623
 CJD  A 708 (-3.6A)
CJD  A 708 (-3.8A)
CJD  A 708 (-3.5A)
None
None
 1.08A 5xxdA-4w2rA:
4.8		 5xxdA-4w2rA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		8 GLY A  18
CYH A 181
ASN A 182
ASN A 206
HIS A 207
TYR A 240
TYR A 258
PHE A 260
 SAM  A 501 ( 4.1A)
SAM  A 501 ( 3.4A)
SAM  A 501 ( 3.8A)
SAM  A 501 (-3.2A)
None
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
SAM  A 501 (-3.6A)
 0.42A 5xxdA-5kjmA:
43.3		 5xxdA-5kjmA:
33.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		8 GLY A  18
GLU A 135
CYH A 181
ASN A 182
ASN A 206
HIS A 207
TYR A 240
TYR A 258
 SAM  A 501 ( 4.1A)
SAM  A 501 (-3.3A)
SAM  A 501 ( 3.4A)
SAM  A 501 ( 3.8A)
SAM  A 501 (-3.2A)
None
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
 0.66A 5xxdA-5kjmA:
43.3		 5xxdA-5kjmA:
33.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		6 GLY A  20
CYH A 181
ASN A 182
HIS A 207
TYR A 240
TYR A 258
 None
SAM  A 501 ( 3.4A)
SAM  A 501 ( 3.8A)
None
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
 1.24A 5xxdA-5kjmA:
43.3		 5xxdA-5kjmA:
33.18
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.
5ls6 HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2

(Homo sapiens) 		PF00856
(SET)
PF11616
(EZH2_WD-Binding) 		5 GLY A 623
CYH A 663
ASN A 688
HIS A 689
TYR A 726
 74D  A 809 ( 3.9A)
74D  A 809 (-3.6A)
74D  A 809 (-3.0A)
None
None
 1.21A 5xxdA-5ls6A:
6.1		 5xxdA-5ls6A:
19.75
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.
5lsu HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2

(Homo sapiens) 		PF00856
(SET) 		5 ARG A1073
GLY A1074
ASN A1141
HIS A1142
TYR A1179
 None
SAM  A1304 ( 3.2A)
SAM  A1304 (-2.9A)
SAM  A1304 (-4.6A)
SAM  A1304 (-4.1A)
 0.85A 5xxdA-5lsuA:
5.6		 5xxdA-5lsuA:
20.10
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.
5nqf APICAL MEMBRANE
ANTIGEN 1

(Plasmodium
falciparum) 		PF02430
(AMA-1) 		5 GLY A 222
ASN A 223
TYR A 202
HIS A 248
TYR A 240
 GLY  A 222 ( 0.0A)
ASN  A 223 ( 0.6A)
TYR  A 202 ( 1.3A)
HIS  A 248 ( 1.0A)
TYR  A 240 ( 1.3A)
 1.32A 5xxdA-5nqfA:
undetectable		 5xxdA-5nqfA:
20.51
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.
5xxg -

(-) 		no annotation 12 ARG A  14
GLY A  15
ASN A  16
TYR A 124
GLU A 130
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.8A)
SAM  A 502 ( 3.9A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.9A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.34A 5xxdA-5xxgA:
64.6		 5xxdA-5xxgA:
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.
6cen HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD3

(Homo sapiens) 		no annotation 5 ARG A1155
GLY A1156
ASN A1223
HIS A1224
TYR A1261
 None
SAM  A1301 (-3.6A)
SAM  A1301 (-3.2A)
None
SAM  A1301 (-4.9A)
 0.86A 5xxdA-6cenA:
5.3		 5xxdA-6cenA:
21.19