SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'Y01'


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.
1IBG_H_OBNH1_2
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)
IGG2B-KAPPA 40-50
FAB (LIGHT CHAIN))
4xnv P2Y PURINOCEPTOR 1,
RUBREDOXIN, P2Y
PURINOCEPTOR 1

(Clostridium
pasteurianum;
Homo
sapiens)
4 / 7 SER A  87
HIS A 148
SER A 151
ARG A 149
None
Y01  A1104 (-3.8A)
Y01  A1104 ( 3.9A)
None
1.08A 1ibgL-4xnvA:
undetectable
1ibgL-4xnvA:
19.39
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.
1RJD_A_SAMA801_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)
5och -
(-)
5 / 12 GLN B 379
ALA B 385
GLY B 307
SER B 429
LEU B 311
None
None
Y01  B1003 ( 4.3A)
Y01  B1003 ( 3.8A)
None
1.09A 1rjdA-5ochB:
undetectable
1rjdA-5ochB:
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.
1RJD_B_SAMB802_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)
5och -
(-)
5 / 12 GLN B 379
ALA B 385
GLY B 307
SER B 429
LEU B 311
None
None
Y01  B1003 ( 4.3A)
Y01  B1003 ( 3.8A)
None
1.05A 1rjdB-5ochB:
2.4
1rjdB-5ochB:
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.
1RJD_C_SAMC803_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)
5och -
(-)
5 / 12 GLN B 379
ALA B 385
GLY B 307
SER B 429
LEU B 311
None
None
Y01  B1003 ( 4.3A)
Y01  B1003 ( 3.8A)
None
1.04A 1rjdC-5ochB:
undetectable
1rjdC-5ochB:
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.
2JJ8_D_AZZD1211_1
(DEOXYNUCLEOSIDE
KINASE)
4xnv P2Y PURINOCEPTOR 1,
RUBREDOXIN, P2Y
PURINOCEPTOR 1

(Clostridium
pasteurianum;
Homo
sapiens)
5 / 10 PHE A 298
VAL A 302
ARG A 285
ALA A 286
PHE A 290
Y01  A1103 ( 4.9A)
Y01  A1103 ( 4.3A)
OLC  A1112 (-4.8A)
None
OLC  A1106 ( 4.9A)
1.04A 2jj8D-4xnvA:
undetectable
2jj8D-4xnvA:
16.78
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.
3NDI_A_SAMA601_0
(METHYLTRANSFERASE)
6g1k TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY C
MEMBER 4A

(Danio
rerio)
5 / 12 PHE A 366
PHE A 637
ALA A 498
THR A 497
ILE A 507
None
None
Y01  A1001 (-3.8A)
None
None
1.25A 3ndiA-6g1kA:
undetectable
3ndiA-6g1kA:
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.
3NDI_A_SAMA601_0
(METHYLTRANSFERASE)
6g1k TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY C
MEMBER 4A

(Danio
rerio)
5 / 12 PHE A 366
PHE A 637
ALA A 498
THR A 497
ILE A 507
None
None
Y01  A1001 (-3.8A)
None
None
1.37A 3ndiA-6g1kA:
undetectable
3ndiA-6g1kA:
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)
4xnv P2Y PURINOCEPTOR 1,
RUBREDOXIN, P2Y
PURINOCEPTOR 1

(Clostridium
pasteurianum;
Homo
sapiens)
4 / 8 VAL A 173
CYH A 144
ILE A 169
ILE A 171
None
Y01  A1104 (-3.6A)
None
Y01  A1104 ( 4.6A)
0.99A 4afgD-4xnvA:
undetectable
4afgE-4xnvA:
undetectable
4afgD-4xnvA:
19.29
4afgE-4xnvA:
19.29
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.
4EM2_A_SALA504_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2

(Homo
sapiens)
4 / 8 PHE E 306
ILE A 232
THR A 256
THR A 260
None
None
Y01  E 401 ( 4.4A)
None
0.86A 4em2A-6d6uE:
undetectable
4em2A-6d6uE:
17.42
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.
5ND3_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos
taurus)
5 / 12 GLU A 490
LEU A  56
ALA A 210
THR A  54
ARG A 238
None
None
None
None
Y01  A 701 (-4.1A)
0.99A 5nd3B-5tr1A:
undetectable
5nd3B-5tr1A:
20.70
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.
5ND3_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos
taurus)
5 / 12 GLU A 490
LEU A  56
THR A  54
ARG A 238
PRO A 216
None
None
None
Y01  A 701 (-4.1A)
None
1.15A 5nd3B-5tr1A:
undetectable
5nd3B-5tr1A:
20.70