SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'AES'


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.
1EIZ_A_SAMA301_0
(FTSJ)		 2pfe ALKALINE SERINE
PROTEASE
(Thermobifida
fusca) 		5 / 12 GLY A 196
GLY A 193
GLY A 192
PHE A  45
LEU A 234
 None
None
AES  A1002 ( 3.8A)
None
None
 0.87A 1eizA-2pfeA:
undetectable		 1eizA-2pfeA:
19.90
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.
1EJ0_A_SAMA301_0
(FTSJ)		 2pfe ALKALINE SERINE
PROTEASE
(Thermobifida
fusca) 		5 / 12 GLY A 196
GLY A 193
GLY A 192
PHE A  45
LEU A 234
 None
None
AES  A1002 ( 3.8A)
None
None
 0.85A 1ej0A-2pfeA:
undetectable		 1ej0A-2pfeA:
19.90
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.
1GXS_A_BEZA601_0
(P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B)		 2oua SERINE PROTEASE
(Nocardiopsis
alba) 		4 / 7 GLY A 216
ASP A 102
HIS A  57
ALA A  55
 AES  A9001 (-4.9A)
None
None
None
 0.99A 1gxsA-2ouaA:
undetectable
1gxsB-2ouaA:
undetectable		 1gxsA-2ouaA:
23.74
1gxsB-2ouaA:
23.00
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.
1RQP_B_SAMB500_1
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)		 2oua SERINE PROTEASE
(Nocardiopsis
alba) 		4 / 8 ASP A 102
PHE A  94
SER A 195
ALA A 104
 None
None
AES  A9001 (-2.5A)
None
 0.95A 1rqpC-2ouaA:
undetectable		 1rqpC-2ouaA:
20.13
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.
1RQP_C_SAMC500_0
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)		 2oua SERINE PROTEASE
(Nocardiopsis
alba) 		4 / 8 ASP A 102
PHE A  94
SER A 195
ALA A 104
 None
None
AES  A9001 (-2.5A)
None
 0.95A 1rqpA-2ouaA:
undetectable		 1rqpA-2ouaA:
20.13
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.
2V7U_A_SAMA1299_0
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		 2oua SERINE PROTEASE
(Nocardiopsis
alba) 		4 / 8 ASP A 102
PHE A  94
SER A 195
ALA A 104
 None
None
AES  A9001 (-2.5A)
None
 0.95A 2v7uA-2ouaA:
undetectable		 2v7uA-2ouaA:
20.13
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.
3ELZ_A_CHDA200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 2pfe ALKALINE SERINE
PROTEASE
(Thermobifida
fusca) 		4 / 5 PRO A  67
THR A 213
VAL A 212
GLY A 197
 None
AES  A1002 (-3.7A)
None
None
 1.15A 3elzA-2pfeA:
undetectable		 3elzA-2pfeA:
22.92
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.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 5xya -
(-) 		5 / 12 SER A 617
ALA A 378
GLY A 403
GLY A 348
ASN A 581
 AES  A1701 (-1.4A)
None
None
None
None
 0.89A 3f8wA-5xyaA:
undetectable		 3f8wA-5xyaA:
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.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 5xya -
(-) 		5 / 12 SER A 617
ALA A 378
GLY A 403
GLY A 348
ASN A 581
 AES  A1701 (-1.4A)
None
None
None
None
 0.90A 3f8wC-5xyaA:
undetectable		 3f8wC-5xyaA:
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.
4J24_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		 5dac PUTATIVE
UNCHARACTERIZED
PROTEIN,PUTATIVE
UNCHARACTERIZED
PROTEIN
(Chaetomium
thermophilum) 		5 / 12 LEU A1236
MET A1283
LEU A1251
ILE A1258
LEU A  29
 None
None
None
AES  A1403 (-4.1A)
None
 1.09A 4j24A-5dacA:
undetectable		 4j24A-5dacA:
19.04
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.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)		 2pfe ALKALINE SERINE
PROTEASE
(Thermobifida
fusca) 		5 / 12 VAL A 136
THR A 213
ARG A 138
HIS A  57
GLY A 192
 None
AES  A1002 (-3.7A)
None
AES  A1002 (-4.8A)
AES  A1002 ( 3.8A)
 1.39A 4ydqB-2pfeA:
undetectable		 4ydqB-2pfeA:
14.08
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.
5DZK_V_BEZV801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 5dac PUTATIVE
UNCHARACTERIZED
PROTEIN,PUTATIVE
UNCHARACTERIZED
PROTEIN
(Chaetomium
thermophilum) 		4 / 4 ILE A 155
ILE A1234
ARG A1220
LEU A  47
 None
AES  A1403 ( 4.6A)
None
None
 1.36A 5dzkh-5dacA:
undetectable
5dzkn-5dacA:
undetectable
5dzkv-5dacA:
undetectable		 5dzkh-5dacA:
17.69
5dzkn-5dacA:
17.69
5dzkv-5dacA:
1.96
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.
5VKQ_C_PCFC1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 5dac PUTATIVE
UNCHARACTERIZED
PROTEIN,PUTATIVE
UNCHARACTERIZED
PROTEIN
(Chaetomium
thermophilum) 		5 / 9 GLY A1232
LEU A1268
LEU A  31
ILE A1258
LEU A1221
 AES  A1403 ( 3.9A)
None
None
AES  A1403 (-4.1A)
AES  A1403 ( 3.7A)
 0.90A 5vkqC-5dacA:
5.4
5vkqD-5dacA:
5.4		 5vkqC-5dacA:
13.34
5vkqD-5dacA:
13.34
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.
6JMJ_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 5xya -
(-) 		4 / 5 GLY A 615
THR A 616
HIS A 279
SER A 346
 AES  A1701 (-3.5A)
AES  A1701 ( 4.7A)
AES  A1701 (-3.4A)
AES  A1701 ( 4.7A)
 0.94A 6jmjA-5xyaA:
undetectable		 6jmjA-5xyaA:
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.
6JNH_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 5xya -
(-) 		4 / 7 GLY A 615
THR A 616
HIS A 279
SER A 346
 AES  A1701 (-3.5A)
AES  A1701 ( 4.7A)
AES  A1701 (-3.4A)
AES  A1701 ( 4.7A)
 0.96A 6jnhA-5xyaA:
undetectable		 6jnhA-5xyaA:
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.
6JOG_A_ASCA201_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 5xya -
(-) 		4 / 6 GLY A 615
THR A 616
HIS A 279
SER A 346
 AES  A1701 (-3.5A)
AES  A1701 ( 4.7A)
AES  A1701 (-3.4A)
AES  A1701 ( 4.7A)
 0.96A 6jogA-5xyaA:
undetectable		 6jogA-5xyaA:
undetectable