SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3PY'


List of Similar Pattern of Amino Acids


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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
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.
1YA4_A_CTXA1_1
(CES1 PROTEIN)
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT

(Escherichia
coli)
6 / 12 ALA A  10
GLY A  46
GLY A  45
LEU A  12
LEU A  13
LEU A  22
None
3PY  A 802 (-3.5A)
None
None
None
None
1.36A 1ya4A-1hl2A:
undetectable
1ya4A-1hl2A:
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.
2ZM8_A_ACAA512_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT

(Escherichia
coli)
5 / 10 TYR A  43
TYR A 137
SER A  47
GLY A 189
ILE A 206
3PY  A 802 (-4.6A)
3PY  A 802 (-4.0A)
3PY  A 802 (-3.2A)
None
3PY  A 802 ( 4.9A)
1.28A 2zm8A-1hl2A:
0.0
2zm8A-1hl2A:
23.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BWL_C_MN9C1297_0
(N-ACETYLNEURAMINATE
LYASE)
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT

(Escherichia
coli)
9 / 10 ILE A 139
THR A 167
GLY A 189
TYR A 190
ASP A 191
GLU A 192
GLY A 207
SER A 208
PHE A 252
3PY  A 802 ( 4.9A)
3PY  A 802 (-3.6A)
None
None
None
None
None
None
None
0.39A 4bwlC-1hl2A:
52.2
4bwlC-1hl2A:
97.04
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.
4UBE_A_2FAA401_2
(ADENOSINE KINASE)
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT

(Escherichia
coli)
4 / 4 ALA A  10
VAL A  44
GLY A  49
THR A  48
None
None
None
3PY  A 802 (-3.4A)
0.96A 4ubeA-1hl2A:
2.9
4ubeA-1hl2A:
23.84
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.
5HIE_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT

(Escherichia
coli)
4 / 7 ILE A 206
GLY A 205
PHE A  33
ASP A  40
3PY  A 802 ( 4.9A)
None
None
None
0.73A 5hieA-1hl2A:
undetectable
5hieA-1hl2A:
22.79
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.
5HIE_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT

(Escherichia
coli)
4 / 7 ILE A 206
GLY A 205
PHE A  33
ASP A  40
3PY  A 802 ( 4.9A)
None
None
None
0.73A 5hieB-1hl2A:
undetectable
5hieB-1hl2A:
22.79
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.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)
1hl2 N-ACETYLNEURAMINATE
LYASE SUBUNIT

(Escherichia
coli)
4 / 8 ILE A 206
GLY A 205
PHE A  33
ASP A  40
3PY  A 802 ( 4.9A)
None
None
None
0.75A 5hieD-1hl2A:
undetectable
5hieD-1hl2A:
22.79
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.
5IEO_A_VDYA206_2
(CDL2.3A)
4dqd EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Rhodopseudomonas
palustris)
4 / 8 ILE A  55
PRO A  52
ILE A  91
LEU A 323
None
3PY  A 404 (-3.9A)
None
None
1.01A 5ieoA-4dqdA:
undetectable
5ieoA-4dqdA:
16.52