SIMILAR PATTERNS OF AMINO ACIDS FOR 4YMG_A_SAMA1001_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.
1e1h BOTULINUM NEUROTOXIN
TYPE A LIGHT CHAIN
BOTULINUM NEUROTOXIN
TYPE A LIGHT CHAIN

(Clostridium
botulinum;
Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF01742
(Peptidase_M27) 		4 SER A 181
SER A 166
GLU B 260
ASP A 170
 None
 1.17A 4ymgA-1e1hA:
0.0		 4ymgA-1e1hA:
23.79
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.
1iqd HUMAN MONOCLONAL
BO2C11 FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 SER B  83
SER B  67
GLU B  63
ASP B  87
 None
 1.40A 4ymgA-1iqdB:
undetectable		 4ymgA-1iqdB:
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.
1ypz T CELL RECEPTOR
DELTA
T-CELL RECEPTOR
GAMMA CHAIN

(Mus musculus;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 SER E 169
SER E 175
GLU F 141
ASP E 143
 None
 1.28A 4ymgA-1ypzE:
0.0		 4ymgA-1ypzE:
22.39
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.
2aw2 B AND T LYMPHOCYTE
ATTENUATOR
TUMOR NECROSIS
FACTOR RECEPTOR
SUPERFAMILY MEMBER
14

(Homo sapiens;
Homo sapiens) 		PF13927
(Ig_3)
PF00020
(TNFR_c6) 		4 SER A 112
SER A 128
GLU A 125
ASP B   7
 None
 1.38A 4ymgA-2aw2A:
undetectable		 4ymgA-2aw2A:
17.72
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.
2i1y RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 SER A 760
SER A 762
GLU A 800
ASP A 793
 None
 1.39A 4ymgA-2i1yA:
0.0		 4ymgA-2i1yA:
23.10
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.
2kdc DIACYLGLYCEROL
KINASE

(Escherichia
coli) 		PF01219
(DAGK_prokar) 		4 SER A  98
SER A  90
GLU A  85
ASP A  95
 None
 1.43A 4ymgA-2kdcA:
undetectable		 4ymgA-2kdcA:
20.42
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.
2qep RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE N2

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 SER A 796
SER A 798
GLU A 836
ASP A 829
 None
 1.44A 4ymgA-2qepA:
0.0		 4ymgA-2qepA:
21.22
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.
3dqp OXIDOREDUCTASE YLBE

(Lactococcus
lactis) 		PF13460
(NAD_binding_10) 		4 SER A  19
SER A  15
GLU A 157
ASP A 179
 None
 1.34A 4ymgA-3dqpA:
3.1		 4ymgA-3dqpA:
21.12
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.
3ism CG8862
CG4930

(Drosophila
melanogaster;
Drosophila
melanogaster) 		PF01223
(Endonuclease_NS)
PF08785
(Ku_PK_bind) 		4 SER C 141
SER C 149
GLU A 195
ASP A 189
 None
None
MG  A   1 ( 3.9A)
None
 1.24A 4ymgA-3ismC:
undetectable		 4ymgA-3ismC:
22.25
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.
3qxf ENDOGLUCANASE

(Escherichia
coli) 		PF01270
(Glyco_hydro_8) 		4 SER A  58
SER A  54
GLU A 152
ASP A 116
 None
 1.46A 4ymgA-3qxfA:
undetectable		 4ymgA-3qxfA:
21.55
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.
3rnr STAGE II SPORULATION
E FAMILY PROTEIN

(Thermanaerovibrio
acidaminovorans) 		PF07228
(SpoIIE) 		4 SER A 105
SER A  87
GLU A 141
ASP A 107
 None
 1.35A 4ymgA-3rnrA:
undetectable		 4ymgA-3rnrA:
25.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE

(Podospora
anserina) 		PF01596
(Methyltransf_3) 		4 SER A  49
SER A  79
GLU A  98
ASP A 144
 SAM  A1001 (-2.4A)
SAM  A1001 (-2.7A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.6A)
 0.00A 4ymgA-4ymgA:
43.7		 4ymgA-4ymgA:
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.
5cd2 ENDO-1,4-D-GLUCANASE

(Aliivibrio
fischeri) 		PF01270
(Glyco_hydro_8) 		4 SER A  78
SER A  74
GLU A 172
ASP A 136
 None
None
None
GOL  A 402 (-2.9A)
 1.47A 4ymgA-5cd2A:
undetectable		 4ymgA-5cd2A:
21.34
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.
5hvo ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Aspergillus
fumigatus) 		PF00982
(Glyco_transf_20) 		4 SER A  46
SER A 463
GLU A 394
ASP A 252
 None
None
UDP  A 501 (-1.8A)
None
 1.31A 4ymgA-5hvoA:
3.7		 4ymgA-5hvoA:
16.85
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.
5xeo CYSTEINE SYNTHASE

(Fusobacterium
nucleatum) 		no annotation 4 SER A 266
SER A 292
GLU A 297
ASP A 294
 PLP  A 401 (-2.5A)
None
None
PLP  A 401 (-3.1A)
 1.43A 4ymgA-5xeoA:
3.5		 4ymgA-5xeoA:
undetectable