SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2d40'

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.
1A8U_A_BEZA295_0
(CHLOROPEROXIDASE T)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		5 / 10 GLY A 257
PHE A 325
MET A 256
PHE A 323
LEU A 138
 None
 1.36A 1a8uA-2d40A:
undetectable		 1a8uA-2d40A:
21.61
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.
1A8U_B_BEZB294_0
(CHLOROPEROXIDASE T)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		5 / 10 GLY A 257
PHE A 325
MET A 256
PHE A 323
LEU A 138
 None
 1.37A 1a8uB-2d40A:
undetectable		 1a8uB-2d40A:
21.61
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.
1MXF_B_MTXB2278_1
(PTERIDINE REDUCTASE
2)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		5 / 11 SER A 220
TYR A 215
LEU A 138
PRO A 246
THR A 206
 None
 1.39A 1mxfB-2d40A:
undetectable		 1mxfB-2d40A:
23.27
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.
2V41_G_BEZG1222_0
(PEROXIREDOXIN 6.)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		4 / 8 THR A 308
PRO A 307
SER A 277
ALA A  86
 None
 1.08A 2v41G-2d40A:
undetectable
2v41H-2d40A:
undetectable		 2v41G-2d40A:
20.43
2v41H-2d40A:
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.
3ABK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		3 / 3 HIS A 106
HIS A 145
HIS A 104
 FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
 0.75A 3abkA-2d40A:
undetectable		 3abkA-2d40A:
21.28
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.
3ABK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		3 / 3 HIS A 106
HIS A 145
HIS A 104
 FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
 0.74A 3abkN-2d40A:
undetectable		 3abkN-2d40A:
21.28
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.
3AG2_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		3 / 3 HIS A 106
HIS A 145
HIS A 104
 FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
 0.75A 3ag2N-2d40A:
undetectable		 3ag2N-2d40A:
21.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NJZ_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		5 / 12 GLN A  93
HIS A 104
ARG A 112
HIS A 147
ASP A 159
 None
FE  A1001 (-3.2A)
None
None
None
 1.43A 3njzA-2d40A:
37.9		 3njzA-2d40A:
34.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NJZ_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		6 / 12 GLN A  93
HIS A 104
HIS A 106
HIS A 145
ASP A 159
LEU A 161
 None
FE  A1001 (-3.2A)
FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
None
None
 0.59A 3njzA-2d40A:
37.9		 3njzA-2d40A:
34.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NJZ_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		5 / 12 GLN A  93
HIS A 145
HIS A 106
ASP A 159
LEU A 161
 None
FE  A1001 (-3.4A)
FE  A1001 (-3.3A)
None
None
 1.40A 3njzA-2d40A:
37.9		 3njzA-2d40A:
34.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		6 / 6 GLN A  93
HIS A 104
HIS A 106
ARG A 112
HIS A 145
ASP A 159
 None
FE  A1001 (-3.2A)
FE  A1001 (-3.3A)
None
FE  A1001 (-3.4A)
None
 0.72A 3nvcA-2d40A:
38.2		 3nvcA-2d40A:
34.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		5 / 6 GLN A  93
HIS A 106
ARG A 112
HIS A 145
ASP A 159
 None
FE  A1001 (-3.3A)
None
FE  A1001 (-3.4A)
None
 1.45A 3nvcA-2d40A:
38.2		 3nvcA-2d40A:
34.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		4 / 6 HIS A 145
HIS A 104
HIS A 106
ASP A 159
 FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
FE  A1001 (-3.3A)
None
 1.21A 3nvcA-2d40A:
38.2		 3nvcA-2d40A:
34.05
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.
3S33_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		3 / 3 HIS A 106
HIS A 145
HIS A 104
 FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
 0.72A 3s33A-2d40A:
undetectable		 3s33A-2d40A:
20.45
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.
3S38_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		3 / 3 HIS A 106
HIS A 145
HIS A 104
 FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
 0.70A 3s38A-2d40A:
undetectable		 3s38A-2d40A:
20.45
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.
3S39_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		3 / 3 HIS A 106
HIS A 145
HIS A 104
 FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
 0.72A 3s39A-2d40A:
undetectable		 3s39A-2d40A:
20.45
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.
3S3A_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		3 / 3 HIS A 106
HIS A 145
HIS A 104
 FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
 0.73A 3s3aA-2d40A:
undetectable		 3s3aA-2d40A:
20.45
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.
3S3B_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		3 / 3 HIS A 106
HIS A 145
HIS A 104
 FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
 0.75A 3s3bA-2d40A:
undetectable		 3s3bA-2d40A:
20.45
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.
3S3C_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		3 / 3 HIS A 106
HIS A 145
HIS A 104
 FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
 0.69A 3s3cA-2d40A:
undetectable		 3s3cA-2d40A:
20.45
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.
3S3D_A_CUA803_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		3 / 3 HIS A 106
HIS A 145
HIS A 104
 FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
 0.69A 3s3dA-2d40A:
undetectable		 3s3dA-2d40A:
20.45
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.
3U8Q_A_NPUA7231_1
(LACTOTRANSFERRIN)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		4 / 5 GLY A 250
PRO A 252
ASN A 245
TYR A 215
 None
 1.20A 3u8qA-2d40A:
undetectable		 3u8qA-2d40A:
21.95
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		4 / 5 LEU A  73
TRP A  45
LEU A 163
ASP A 159
 None
 1.33A 4aqlA-2d40A:
undetectable		 4aqlA-2d40A:
22.98
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.
4F8H_B_RKEB401_1
(PROTON-GATED ION
CHANNEL)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		4 / 8 TYR A 191
ASN A 214
ASP A 135
LEU A 192
 None
 1.09A 4f8hB-2d40A:
undetectable
4f8hC-2d40A:
undetectable		 4f8hB-2d40A:
21.54
4f8hC-2d40A:
21.54
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.
4F8H_C_RKEC401_1
(PROTON-GATED ION
CHANNEL)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		4 / 8 TYR A 191
ASN A 214
ASP A 135
LEU A 192
 None
 1.09A 4f8hC-2d40A:
undetectable
4f8hD-2d40A:
undetectable		 4f8hC-2d40A:
21.54
4f8hD-2d40A:
21.54
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.
4F8H_D_RKED401_1
(PROTON-GATED ION
CHANNEL)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		4 / 8 TYR A 191
ASN A 214
ASP A 135
LEU A 192
 None
 1.09A 4f8hD-2d40A:
undetectable
4f8hE-2d40A:
undetectable		 4f8hD-2d40A:
21.54
4f8hE-2d40A:
21.54
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.
4F8H_E_RKEE401_1
(PROTON-GATED ION
CHANNEL)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		4 / 8 LEU A 192
TYR A 191
ASN A 214
ASP A 135
 None
 1.08A 4f8hA-2d40A:
undetectable
4f8hE-2d40A:
undetectable		 4f8hA-2d40A:
21.54
4f8hE-2d40A:
21.54
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.
4XP1_A_LDPA708_1
(DOPAMINE
TRANSPORTER, ISOFORM
B)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		5 / 10 ASP A 162
ALA A 258
PHE A 325
SER A 255
GLY A 257
 None
 1.41A 4xp1A-2d40A:
undetectable		 4xp1A-2d40A:
20.58
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.
5M50_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		5 / 12 VAL A 124
ASP A 125
GLU A 127
THR A 248
ARG A 186
 None
 1.38A 5m50B-2d40A:
undetectable		 5m50B-2d40A:
21.83
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.
5M54_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		5 / 12 VAL A 124
ASP A 125
GLU A 127
THR A 248
ARG A 186
 None
 1.33A 5m54B-2d40A:
undetectable		 5m54B-2d40A:
21.60
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.
5X19_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		3 / 3 HIS A 106
HIS A 145
HIS A 104
 FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
 0.74A 5x19A-2d40A:
undetectable		 5x19A-2d40A:
21.28
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.
5X19_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		3 / 3 HIS A 106
HIS A 145
HIS A 104
 FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
 0.72A 5x19N-2d40A:
undetectable		 5x19N-2d40A:
21.28
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.
6ECE_C_DVAC3010_0
(VLM2
DODECADEPSIPEPTIDE)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		3 / 3 ALA A 272
PHE A 314
GLN A 261
 None
 0.71A 6eceA-2d40A:
undetectable		 6eceA-2d40A:
25.13
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.
6GBF_A_ACTA507_0
(MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		3 / 3 LYS A 265
SER A 320
SER A 286
 None
 1.13A 6gbfA-2d40A:
undetectable		 6gbfA-2d40A:
18.88
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.
6GIQ_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		3 / 3 HIS A 106
HIS A 145
HIS A 104
 FE  A1001 (-3.3A)
FE  A1001 (-3.4A)
FE  A1001 (-3.2A)
 0.71A 6giqa-2d40A:
undetectable		 6giqa-2d40A:
21.07
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.
6MN4_E_AM2E301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		4 / 7 THR A 129
ARG A 194
HIS A 204
ASP A 190
 None
 1.23A 6mn4E-2d40A:
undetectable		 6mn4E-2d40A:
23.78
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.
6MN5_B_LLLB301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 2d40 PUTATIVE GENTISATE
1,2-DIOXYGENASE
(Escherichia
coli) 		4 / 7 ASP A 237
TYR A 280
ASP A 276
GLU A 332
 None
 1.33A 6mn5B-2d40A:
undetectable		 6mn5B-2d40A:
14.45