SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2c81'

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.
1GTB_A_PZQA901_0
(GLUTATHIONE
S-TRANSFERASE)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		3 / 3 GLN A 190
TYR A 337
ARG A 328
 None
 0.86A 1gtbA-2c81A:
undetectable		 1gtbA-2c81A:
18.85
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.
1SGU_B_MK1B2632_1
(POL POLYPROTEIN)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		5 / 8 ASP A 163
ALA A 165
GLY A 199
GLY A 200
ALA A  98
 PMP  A1416 (-2.8A)
PMP  A1416 (-3.5A)
None
None
None
 0.97A 1sguA-2c81A:
undetectable		 1sguA-2c81A:
12.80
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.
1SGU_B_MK1B2632_1
(POL POLYPROTEIN)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		5 / 8 ASP A 163
ALA A 165
GLY A 200
ILE A 202
ALA A  98
 PMP  A1416 (-2.8A)
PMP  A1416 (-3.5A)
None
None
None
 1.30A 1sguA-2c81A:
undetectable		 1sguA-2c81A:
12.80
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.
1SGU_B_MK1B2632_1
(POL POLYPROTEIN)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		5 / 8 ASP A 163
GLY A 199
GLY A 200
ILE A 201
ALA A  73
 PMP  A1416 (-2.8A)
None
None
None
None
 1.18A 1sguA-2c81A:
undetectable		 1sguA-2c81A:
12.80
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.
2BYO_A_LNLA1217_1
(LIPOPROTEIN LPPX)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		4 / 4 VAL A  85
LEU A 216
ILE A 213
LEU A 209
 None
 1.03A 2byoA-2c81A:
undetectable		 2byoA-2c81A:
20.43
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.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		5 / 12 ALA A 406
LEU A 403
LEU A 283
ILE A 386
PHE A 323
 None
 1.12A 3fl9B-2c81A:
undetectable		 3fl9B-2c81A:
16.55
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.
3FL9_E_TOPE200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		5 / 10 ALA A 406
LEU A 403
LEU A 283
ILE A 386
PHE A 323
 None
 1.09A 3fl9E-2c81A:
undetectable		 3fl9E-2c81A:
16.55
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.
3FL9_G_TOPG200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		5 / 12 ALA A 406
LEU A 403
LEU A 283
ILE A 386
PHE A 323
 None
 1.12A 3fl9G-2c81A:
undetectable		 3fl9G-2c81A:
16.55
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.
3KK6_A_CELA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		5 / 12 VAL A  99
LEU A 100
LEU A  74
TRP A 370
PHE A 351
 None
 1.09A 3kk6A-2c81A:
0.3		 3kk6A-2c81A:
20.28
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.
3KK6_B_CELB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		5 / 12 VAL A  99
LEU A 100
LEU A  74
TRP A 370
PHE A 351
 None
 1.14A 3kk6B-2c81A:
undetectable		 3kk6B-2c81A:
20.28
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.
3MBG_A_ACTA207_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		4 / 7 GLU A  24
LEU A 259
LYS A  46
ALA A 256
 None
 1.20A 3mbgA-2c81A:
undetectable
3mbgB-2c81A:
undetectable		 3mbgA-2c81A:
14.83
3mbgB-2c81A:
14.83
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.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		5 / 12 LEU A 250
ILE A 201
GLY A  66
ALA A  69
LEU A  72
 None
None
PMP  A1416 (-3.7A)
None
None
 1.25A 3n8xA-2c81A:
undetectable		 3n8xA-2c81A:
20.28
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.
3UCJ_A_AZMA229_2
(CARBONIC ANHYDRASE)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		3 / 3 GLN A 166
PHE A 140
TYR A 342
 PMP  A1416 (-3.7A)
None
None
 1.00A 3ucjB-2c81A:
undetectable		 3ucjB-2c81A:
19.33
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.
3UCJ_B_AZMB229_1
(CARBONIC ANHYDRASE)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		3 / 3 GLN A 166
PHE A 140
TYR A 342
 PMP  A1416 (-3.7A)
None
None
 1.01A 3ucjA-2c81A:
undetectable		 3ucjA-2c81A:
19.33
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.
4K50_B_ACTB701_0
(RNA (33-MER)
RNA POLYMERASE
3D-POL)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		3 / 3 HIS A 168
GLY A 200
ILE A 201
 None
 0.56A 4k50A-2c81A:
undetectable		 4k50A-2c81A:
22.09
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.
4K50_J_ACTJ701_0
(RNA (33-MER)
RNA POLYMERASE
3D-POL)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		3 / 3 HIS A 168
GLY A 200
ILE A 201
 None
 0.57A 4k50I-2c81A:
undetectable		 4k50I-2c81A:
22.09
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.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		4 / 8 ALA A 185
ASN A 150
ILE A 149
GLY A 181
 None
 0.77A 4r20A-2c81A:
undetectable		 4r20A-2c81A:
21.39
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.
4V20_A_ACTA1444_0
(CELLOBIOHYDROLASE)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		4 / 5 GLY A 178
THR A 179
GLY A 169
GLU A 162
 None
 0.98A 4v20A-2c81A:
undetectable		 4v20A-2c81A:
20.93
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.
5HFJ_B_SAMB301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		5 / 12 ALA A  48
THR A  68
GLY A 200
SER A 187
SER A 255
 None
None
None
PMP  A1416 (-2.5A)
None
 1.17A 5hfjB-2c81A:
undetectable		 5hfjB-2c81A:
19.76
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.
5HFJ_F_SAMF301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		5 / 12 ALA A  48
THR A  68
GLY A 200
SER A 187
SER A 255
 None
None
None
PMP  A1416 (-2.5A)
None
 1.26A 5hfjF-2c81A:
undetectable		 5hfjF-2c81A:
19.76
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.
5NUM_A_Z80A201_1
(BETA-LACTOGLOBULIN)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		5 / 8 ILE A 161
LEU A  77
ILE A 183
ILE A 202
SER A 246
 None
 1.36A 5numA-2c81A:
undetectable		 5numA-2c81A:
9.57
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.
6A5Y_D_9CRD501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		3 / 3 ASN A 275
VAL A 193
HIS A 390
 None
 0.76A 6a5yD-2c81A:
undetectable		 6a5yD-2c81A:
11.44
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.
6F8C_A_STRA502_1
(CYTOCHROME P450
CYP260A1)		 2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE
(Bacillus
circulans) 		4 / 6 ALA A  94
SER A 187
GLY A 200
THR A  63
 PMP  A1416 ( 3.7A)
PMP  A1416 (-2.5A)
None
None
 0.75A 6f8cA-2c81A:
undetectable		 6f8cA-2c81A:
13.50