SIMILAR PATTERNS OF AMINO ACIDS FOR 4IJ8_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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 LYS A 135
LEU A 139
ASN A 209
HIS A 210
TYR A 248
 None
None
SAH  A 305 (-3.4A)
None
SAH  A 305 (-4.9A)
 1.44A 4ij8A-3bo5A:
12.0
4ij8B-3bo5A:
11.8		 4ij8A-3bo5A:
21.16
4ij8B-3bo5A:
21.16
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.
3bo5 HISTONE-LYSINE
N-METHYLTRANSFERASE
SETMAR

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 LYS A 135
TYR A 178
ASN A 209
HIS A 210
TYR A 248
 None
SAH  A 305 (-4.0A)
SAH  A 305 (-3.4A)
None
SAH  A 305 (-4.9A)
 0.64A 4ij8A-3bo5A:
12.0
4ij8B-3bo5A:
11.8		 4ij8A-3bo5A:
21.16
4ij8B-3bo5A:
21.16
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.
3cbo HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7

(Homo sapiens) 		PF00856
(SET) 		5 LEU A 230
ASN A 296
HIS A 297
TYR A 335
TRP A 352
 None
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.9A)
SAH  A   1 (-3.9A)
 1.35A 4ij8A-3cboA:
12.2
4ij8B-3cboA:
12.9		 4ij8A-3cboA:
23.11
4ij8B-3cboA:
23.11
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.
3h4j SNF1-LIKE PROTEIN
KINASE SSP2

(Schizosaccharomyces
pombe) 		no annotation 5 LYS B  96
CYH B 147
LEU B  88
HIS B  91
TYR B 146
 None
 0.98A 4ij8A-3h4jB:
0.0
4ij8B-3h4jB:
0.0		 4ij8A-3h4jB:
20.71
4ij8B-3h4jB:
20.71
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 ARG A  19
LEU A 203
ASN A 205
HIS A 206
TYR A 252
 SFG  A 491 (-3.9A)
None
SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
 0.51A 4ij8A-3n71A:
6.4
4ij8B-3n71A:
6.8		 4ij8A-3n71A:
15.45
4ij8B-3n71A:
15.45
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 LYS A  17
ARG A  19
ASN A 205
HIS A 206
TYR A 252
 SFG  A 491 (-4.7A)
SFG  A 491 (-3.9A)
SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
 0.64A 4ij8A-3n71A:
6.4
4ij8B-3n71A:
6.8		 4ij8A-3n71A:
15.45
4ij8B-3n71A:
15.45
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 LYS A  17
LEU A  21
ASN A 205
HIS A 206
TYR A 252
 SFG  A 491 (-4.7A)
None
SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
 1.19A 4ij8A-3n71A:
6.4
4ij8B-3n71A:
6.8		 4ij8A-3n71A:
15.45
4ij8B-3n71A:
15.45
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.
3ope PROBABLE
HISTONE-LYSINE
N-METHYLTRANSFERASE
ASH1L

(Homo sapiens) 		PF00856
(SET) 		5 LYS A2150
TYR A2194
ASN A2217
HIS A2218
TYR A2255
 None
SAM  A   7 (-3.4A)
SAM  A   7 (-3.9A)
None
None
 0.65A 4ij8A-3opeA:
12.9
4ij8B-3opeA:
12.8		 4ij8A-3opeA:
23.77
4ij8B-3opeA:
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.
4qeo HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC
SUVH4

(Arabidopsis
thaliana) 		PF00856
(SET)
PF02182
(SAD_SRA)
PF05033
(Pre-SET) 		5 LYS A 456
TYR A 493
ASN A 551
HIS A 552
TYR A 593
 SAH  A 801 (-4.7A)
SAH  A 801 (-4.0A)
SAH  A 801 (-3.2A)
None
None
 0.71A 4ij8A-4qeoA:
11.2
4ij8B-4qeoA:
10.9		 4ij8A-4qeoA:
15.38
4ij8B-4qeoA:
15.38
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 LYS A  17
ARG A  19
ASN A 206
HIS A 207
TYR A 240
 None
SAM  A 501 (-3.7A)
SAM  A 501 (-3.2A)
None
6TM  A 502 ( 3.6A)
 0.78A 4ij8A-5kjmA:
7.3
4ij8B-5kjmA:
7.4		 4ij8A-5kjmA:
17.25
4ij8B-5kjmA:
17.25
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 LYS A  17
LEU A 204
ASN A 206
HIS A 207
TYR A 240
 None
None
SAM  A 501 (-3.2A)
None
6TM  A 502 ( 3.6A)
 0.95A 4ij8A-5kjmA:
7.3
4ij8B-5kjmA:
7.4		 4ij8A-5kjmA:
17.25
4ij8B-5kjmA:
17.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5teg N-LYSINE
METHYLTRANSFERASE
KMT5A

(Homo sapiens) 		PF00856
(SET) 		8 LYS A 226
ARG A 228
TYR A 271
LEU A 296
ASN A 298
HIS A 299
TYR A 336
TRP A 349
 SAM  A 401 (-4.6A)
SAM  A 401 (-3.7A)
SAM  A 401 (-4.1A)
SAM  A 401 (-4.6A)
SAM  A 401 (-3.2A)
None
SAM  A 401 (-4.8A)
SAM  A 401 (-3.7A)
 0.48A 4ij8A-5tegA:
23.4
4ij8B-5tegA:
22.3		 4ij8A-5tegA:
100.00
4ij8B-5tegA:
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.
5x8z PENICILLIN V
ACYLASE-LIKE PROTEIN

(Shewanella
loihica) 		no annotation 5 ARG A  16
LEU A  88
ASN A 191
HIS A  91
ALA A  18
 None
 1.20A 4ij8A-5x8zA:
0.0
4ij8B-5x8zA:
0.0		 4ij8A-5x8zA:
undetectable
4ij8B-5x8zA:
undetectable