SIMILAR PATTERNS OF AMINO ACIDS FOR 5KJL_A_SAMA501_0

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.
2h21 RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E

(Pisum sativum) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 ASN A 242
HIS A 243
TYR A 287
TYR A 300
PHE A 302
 SAM  A 801 (-2.9A)
SAM  A 801 (-4.9A)
SAM  A 801 (-4.8A)
None
SAM  A 801 (-3.9A)
 0.65A 5kjlA-2h21A:
9.6		 5kjlA-2h21A:
23.40
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.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 GLU X 180
CYH X 678
ASN X 679
ASN X 475
HIS X 572
 None
 1.13A 5kjlA-2y9eX:
0.0		 5kjlA-2y9eX:
20.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		9 LYS A  17
ARG A  19
HIS A 135
ASN A 180
ASN A 205
HIS A 206
TYR A 252
TYR A 270
PHE A 272
 SFG  A 491 (-4.7A)
SFG  A 491 (-3.9A)
SFG  A 491 (-3.8A)
SFG  A 491 (-4.3A)
SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
None
SFG  A 491 (-3.7A)
 0.62A 5kjlA-3n71A:
39.1		 5kjlA-3n71A:
30.83
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) 		5 ASN A 251
HIS A 252
TYR A 285
TYR A 297
PHE A 299
 SAM  A 484 (-3.1A)
None
SAM  A 484 (-4.8A)
None
SAM  A 484 (-3.5A)
 0.49A 5kjlA-3rc0A:
12.7		 5kjlA-3rc0A:
21.99
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.
3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 HIS A 155
HIS A 252
TYR A 285
TYR A 297
PHE A 299
 None
None
SAM  A 484 (-4.8A)
None
SAM  A 484 (-3.5A)
 1.24A 5kjlA-3rc0A:
12.7		 5kjlA-3rc0A:
21.99
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.
4btg MAJOR INNER PROTEIN
P1

(Pseudomonas
virus phi6) 		no annotation 5 GLU A 142
HIS A 143
HIS A  93
TYR A  92
PHE A  89
 None
 1.42A 5kjlA-4btgA:
0.0		 5kjlA-4btgA:
21.21
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) 		11 LYS A  17
ARG A  19
GLU A 135
HIS A 137
CYH A 181
ASN A 182
ASN A 206
HIS A 207
TYR A 240
TYR A 258
PHE A 260
 None
SAM  A 501 (-3.7A)
SAM  A 501 (-3.3A)
SAM  A 501 (-3.9A)
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)
 0.20A 5kjlA-5kjmA:
60.5		 5kjlA-5kjmA:
100.00
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.
5teg N-LYSINE
METHYLTRANSFERASE
KMT5A

(Homo sapiens) 		PF00856
(SET) 		5 LYS A 226
ARG A 228
ASN A 298
HIS A 299
TYR A 336
 SAM  A 401 (-4.6A)
SAM  A 401 (-3.7A)
SAM  A 401 (-3.2A)
None
SAM  A 401 (-4.8A)
 0.71A 5kjlA-5tegA:
7.5		 5kjlA-5tegA:
17.03
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 7 CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.49A 5kjlA-5xxgA:
43.2		 5kjlA-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.
5xxg -

(-) 		no annotation 7 GLU A 130
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
 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
 0.71A 5kjlA-5xxgA:
43.2		 5kjlA-5xxgA:
undetectable