SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'DUN'


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.
2BM9_A_SAMA301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 2cje DUTPASE
(Leishmania
major) 		3 / 3 LYS A 179
ASP A  69
ASN A 206
 DUN  A1266 (-2.5A)
None
DUN  A1266 (-3.7A)
 0.96A 2bm9A-2cjeA:
undetectable		 2bm9A-2cjeA:
21.63
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.
2BM9_A_SAMA301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4dkb DEOXYURIDINE
TRIPHOSPHATASE
(Trypanosoma
brucei) 		3 / 3 LYS A 208
ASP A  69
ASN A 235
 DUN  A 303 (-2.5A)
None
DUN  A 303 (-3.9A)
 0.98A 2bm9A-4dkbA:
undetectable		 2bm9A-4dkbA:
22.11
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.
2BXE_A_1FLA2001_1
(SERUM ALBUMIN)		 2cje DUTPASE
(Leishmania
major) 		5 / 11 LEU A 209
ASN A 206
ARG A 186
TYR A 196
VAL A 203
 None
DUN  A1266 (-3.7A)
DUN  A1266 (-3.0A)
None
None
 1.16A 2bxeA-2cjeA:
undetectable		 2bxeA-2cjeA:
19.32
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.
2BXG_A_IBPA2001_1
(SERUM ALBUMIN)		 4dkb DEOXYURIDINE
TRIPHOSPHATASE
(Trypanosoma
brucei) 		5 / 11 LEU A 238
ASN A 235
ARG A 215
TYR A 225
VAL A 232
 None
DUN  A 303 (-3.9A)
DUN  A 303 (-2.8A)
None
None
 1.15A 2bxgA-4dkbA:
2.4		 2bxgA-4dkbA:
20.17
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.
3BJW_E_SVRE510_2
(PHOSPHOLIPASE A2)		 2cje DUTPASE
(Leishmania
major) 		4 / 6 VAL A  78
GLN A  21
GLY A  87
ARG A  36
 None
DUN  A1266 (-3.6A)
None
None
 1.01A 3bjwE-2cjeA:
undetectable		 3bjwE-2cjeA:
16.54
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.
4OKX_A_198A1002_1
(ANDROGEN RECEPTOR)		 2cje DUTPASE
(Leishmania
major) 		5 / 12 LEU A  24
GLN A  21
LEU A  17
VAL A  78
VAL A 221
 DUN  A1266 (-4.4A)
DUN  A1266 (-3.6A)
None
None
None
 1.40A 4okxA-2cjeA:
undetectable		 4okxA-2cjeA:
21.63
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.
4P65_A_IPHA101_0
(INSULIN)		 2cje DUTPASE
(Leishmania
major) 		5 / 10 LEU A 209
HIS A 180
ALA A 178
HIS A  82
LEU A  24
 None
None
None
DUN  A1266 (-3.7A)
DUN  A1266 (-4.4A)
 1.15A 4p65A-2cjeA:
undetectable
4p65B-2cjeA:
undetectable
4p65F-2cjeA:
undetectable
4p65H-2cjeA:
undetectable		 4p65A-2cjeA:
7.66
4p65B-2cjeA:
12.03
4p65F-2cjeA:
12.03
4p65H-2cjeA:
12.03
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.
4P65_A_IPHA101_0
(INSULIN)		 4dkb DEOXYURIDINE
TRIPHOSPHATASE
(Trypanosoma
brucei) 		5 / 10 LEU A 238
HIS A 209
ALA A 207
HIS A  82
LEU A  24
 None
None
None
DUN  A 303 (-3.7A)
DUN  A 303 (-4.3A)
 1.09A 4p65A-4dkbA:
undetectable
4p65B-4dkbA:
undetectable
4p65F-4dkbA:
undetectable
4p65H-4dkbA:
undetectable		 4p65A-4dkbA:
5.04
4p65B-4dkbA:
7.53
4p65F-4dkbA:
7.53
4p65H-4dkbA:
7.53
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.
4P65_C_IPHC101_0
(INSULIN)		 4dkb DEOXYURIDINE
TRIPHOSPHATASE
(Trypanosoma
brucei) 		6 / 11 LEU A 238
HIS A 209
LEU A 211
ALA A 207
HIS A  82
LEU A  24
 None
None
None
None
DUN  A 303 (-3.7A)
DUN  A 303 (-4.3A)
 1.40A 4p65C-4dkbA:
undetectable
4p65D-4dkbA:
undetectable
4p65J-4dkbA:
undetectable
4p65L-4dkbA:
undetectable		 4p65C-4dkbA:
5.04
4p65D-4dkbA:
7.53
4p65J-4dkbA:
7.53
4p65L-4dkbA:
7.53
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.
4P65_E_IPHE101_0
(INSULIN)		 4dkb DEOXYURIDINE
TRIPHOSPHATASE
(Trypanosoma
brucei) 		5 / 11 LEU A 238
HIS A 209
ALA A 207
HIS A  82
LEU A  24
 None
None
None
DUN  A 303 (-3.7A)
DUN  A 303 (-4.3A)
 1.08A 4p65E-4dkbA:
undetectable
4p65F-4dkbA:
undetectable
4p65J-4dkbA:
undetectable
4p65L-4dkbA:
undetectable		 4p65E-4dkbA:
5.04
4p65F-4dkbA:
7.53
4p65J-4dkbA:
7.53
4p65L-4dkbA:
7.53
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.
5OGJ_B_ACTB305_0
(CARBONIC ANHYDRASE
13)		 4dkb DEOXYURIDINE
TRIPHOSPHATASE
(Trypanosoma
brucei) 		4 / 6 HIS A  82
HIS A 209
VAL A 206
LEU A  17
 DUN  A 303 (-3.7A)
None
None
None
 1.26A 5ogjB-4dkbA:
undetectable		 5ogjB-4dkbA:
20.60
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.
5OHH_A_ACTA307_0
(CARBONIC ANHYDRASE
13)		 4dkb DEOXYURIDINE
TRIPHOSPHATASE
(Trypanosoma
brucei) 		4 / 5 HIS A  82
HIS A 209
VAL A 206
LEU A  17
 DUN  A 303 (-3.7A)
None
None
None
 1.25A 5ohhA-4dkbA:
undetectable		 5ohhA-4dkbA:
20.60
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.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		 2cje DUTPASE
(Leishmania
major) 		5 / 12 ASN A 183
LEU A  24
ASN A  25
ASP A  79
ILE A 157
 DUN  A1266 (-3.1A)
DUN  A1266 (-4.4A)
DUN  A1266 (-3.7A)
MG  A1268 ( 3.0A)
None
 1.45A 6dwnB-2cjeA:
undetectable		 6dwnB-2cjeA:
16.29