SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ek1'

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.
1FK6_A_LNLA1201_1
(NON-SPECIFIC LIPID
TRANSFER PROTEIN)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 LEU A 310
ALA A 391
LEU A 393
ALA A 395
ILE A 356
 None
 0.74A 1fk6A-3ek1A:
undetectable		 1fk6A-3ek1A:
11.55
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.
1NT6_A_DVAA6_0
(GRAMICIDIN C)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		3 / 3 ALA A 197
VAL A 195
TRP A  20
 None
 0.87A 1nt6A-3ek1A:
undetectable		 1nt6A-3ek1A:
8.89
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.
1NT6_B_DVAB6_0
(GRAMICIDIN C)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		3 / 3 ALA A 197
VAL A 195
TRP A  20
 None
 0.87A 1nt6B-3ek1A:
undetectable		 1nt6B-3ek1A:
8.89
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.
1OIP_A_VIVA1278_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 ILE A  21
ILE A 217
LEU A 221
VAL A 227
ILE A 179
 None
 0.85A 1oipA-3ek1A:
undetectable		 1oipA-3ek1A:
21.84
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.
1P6K_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 8 ARG A 427
GLN A 299
ASN A 421
ASP A 268
 None
 1.26A 1p6kB-3ek1A:
undetectable		 1p6kB-3ek1A:
20.12
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.
1RS6_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 8 ARG A 427
GLN A 299
ASN A 421
ASP A 268
 None
 1.31A 1rs6B-3ek1A:
undetectable		 1rs6B-3ek1A:
20.12
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.
1ZZQ_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 8 ARG A 427
GLN A 299
ASN A 421
ASP A 268
 None
 1.23A 1zzqA-3ek1A:
undetectable		 1zzqA-3ek1A:
20.12
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.
1ZZQ_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 8 ARG A 427
GLN A 299
ASN A 421
ASP A 268
 None
 1.24A 1zzqB-3ek1A:
undetectable		 1zzqB-3ek1A:
20.12
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.
1ZZU_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 8 ARG A 427
GLN A 299
ASN A 421
ASP A 268
 None
 1.26A 1zzuB-3ek1A:
undetectable		 1zzuB-3ek1A:
20.12
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.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 LEU A   4
LEU A   2
LEU A 188
THR A 189
LEU A 191
 None
 0.84A 2bdmA-3ek1A:
undetectable		 2bdmA-3ek1A:
23.15
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.
2BR4_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 LEU A 310
GLY A 277
ASP A 276
ALA A 274
ALA A 269
 None
 1.13A 2br4C-3ek1A:
3.1		 2br4C-3ek1A:
16.77
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.
2BR4_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 LEU A 310
GLY A 277
ASP A 276
ALA A 274
ALA A 269
 None
 1.14A 2br4E-3ek1A:
3.4		 2br4E-3ek1A:
16.77
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.
2HZQ_A_STRA300_1
(APOLIPOPROTEIN D)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 7 THR A 233
ALA A 414
TYR A 416
PHE A 451
 None
 1.14A 2hzqA-3ek1A:
undetectable		 2hzqA-3ek1A:
16.38
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.
2NYR_B_SVRB401_4
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 5 ALA A 395
ALA A 353
ALA A 348
VAL A 381
 None
 0.90A 2nyrB-3ek1A:
4.4		 2nyrB-3ek1A:
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.
2OAX_A_SNLA1001_2
(MINERALOCORTICOID
RECEPTOR)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 5 LEU A 188
ALA A 192
LEU A   9
MET A   1
 None
 0.87A 2oaxA-3ek1A:
undetectable		 2oaxA-3ek1A:
20.34
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.
2W9S_D_TOPD1158_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		5 / 10 ILE A  84
ALA A 197
LEU A 207
LEU A  77
ILE A 117
 None
 1.10A 2w9sD-3ek1A:
undetectable		 2w9sD-3ek1A:
14.78
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.
2W9S_F_TOPF1159_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		5 / 10 ILE A  84
ALA A 197
LEU A 207
LEU A  77
ILE A 117
 None
 1.11A 2w9sF-3ek1A:
undetectable		 2w9sF-3ek1A:
14.78
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.
3AQI_B_CHDB4_0
(FERROCHELATASE)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 6 MET A  95
ARG A 284
PRO A  34
GLY A 330
 None
MES  A 485 (-4.5A)
None
None
 1.44A 3aqiB-3ek1A:
undetectable		 3aqiB-3ek1A:
22.18
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.
3IV6_B_SAMB301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 PHE A 411
GLY A 458
PHE A 232
ILE A 253
ARG A 240
 None
 1.26A 3iv6B-3ek1A:
4.3		 3iv6B-3ek1A:
20.04
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.
3N66_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 8 ARG A 427
GLN A 299
ASN A 421
ASP A 268
 None
 1.33A 3n66B-3ek1A:
undetectable		 3n66B-3ek1A:
20.08
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.
3OGP_A_017A200_1
(FIV PROTEASE)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		6 / 9 ASP A  25
GLY A  26
ALA A  23
ASP A  22
ILE A  21
ILE A  29
 None
 1.19A 3ogpA-3ek1A:
undetectable		 3ogpA-3ek1A:
12.70
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.
3OHT_A_1N1A1000_2
(P38A)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		3 / 3 GLU A 198
LEU A  15
LEU A 188
 None
 0.67A 3ohtA-3ek1A:
undetectable		 3ohtA-3ek1A:
22.61
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.
3OHT_B_1N1B1000_2
(P38A)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		3 / 3 GLU A 198
LEU A  15
LEU A 188
 None
 0.66A 3ohtB-3ek1A:
undetectable		 3ohtB-3ek1A:
22.61
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.
3P2K_B_SAMB6735_0
(16S RRNA METHYLASE)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 GLY A 322
GLY A 320
VAL A 328
ALA A 106
LEU A 103
 None
 1.11A 3p2kB-3ek1A:
3.2		 3p2kB-3ek1A:
18.61
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.
3UVV_A_T3A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 ILE A  84
ALA A 113
ALA A 190
LEU A 207
ILE A 209
 None
 1.02A 3uvvA-3ek1A:
undetectable		 3uvvA-3ek1A:
19.54
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.
4B7Q_B_ZMRB601_1
(NEURAMINIDASE)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 GLU A 400
SER A 423
GLU A 399
ARG A 424
ASN A 421
 None
 1.47A 4b7qB-3ek1A:
undetectable		 4b7qB-3ek1A:
21.47
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.
4BQF_B_QPSB951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 8 MET A 436
GLU A 462
LYS A 167
ARG A 166
 None
None
None
MES  A 485 (-3.4A)
 1.18A 4bqfB-3ek1A:
3.1		 4bqfB-3ek1A:
21.72
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.
4OLT_B_GCSB301_1
(CHITOSANASE)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		3 / 3 GLY A 330
PRO A 331
GLN A 288
 None
 0.30A 4oltB-3ek1A:
undetectable		 4oltB-3ek1A:
20.00
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.
4OR0_A_NPSA601_1
(SERUM ALBUMIN)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		5 / 11 ASN A 321
PHE A 366
GLY A 330
THR A  96
SER A  38
 None
 1.26A 4or0A-3ek1A:
undetectable		 4or0A-3ek1A:
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.
4QWP_B_GCSB305_1
(CHITOSANASE)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		3 / 3 GLY A 330
PRO A 331
GLN A 288
 None
 0.21A 4qwpB-3ek1A:
undetectable		 4qwpB-3ek1A:
19.68
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.
4TWD_F_377F401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 7 GLU A 400
GLU A 401
PHE A 396
ARG A 424
 None
 0.93A 4twdF-3ek1A:
undetectable
4twdJ-3ek1A:
undetectable		 4twdF-3ek1A:
20.66
4twdJ-3ek1A:
20.66
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.
4ZO1_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 ILE A 296
ALA A 391
MET A 279
ALA A 311
PHE A 263
 None
 1.37A 4zo1X-3ek1A:
undetectable		 4zo1X-3ek1A:
17.78
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.
5MUE_A_VIVA302_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 ILE A  21
ILE A 217
LEU A 221
VAL A 227
ILE A 179
 None
 0.84A 5mueA-3ek1A:
undetectable		 5mueA-3ek1A:
18.24
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.
5MUG_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		5 / 12 ILE A  21
ILE A 217
LEU A 221
VAL A 227
ILE A 179
 None
 0.88A 5mugA-3ek1A:
undetectable		 5mugA-3ek1A:
18.43
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 8 ALA A  92
THR A  96
ALA A 286
TRP A 157
 None
 0.66A 5x2tI-3ek1A:
undetectable
5x2tJ-3ek1A:
undetectable
5x2tK-3ek1A:
undetectable
5x2tL-3ek1A:
undetectable		 5x2tI-3ek1A:
15.89
5x2tJ-3ek1A:
14.74
5x2tK-3ek1A:
15.89
5x2tL-3ek1A:
14.74
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.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 7 ASP A  36
GLY A  41
SER A  38
VAL A  31
 None
 0.86A 6ekzA-3ek1A:
undetectable		 6ekzA-3ek1A:
12.44
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.
6EKZ_A_SNPA414_0
(AROMATIC
PEROXYGENASE)		 3ek1 ALDEHYDE
DEHYDROGENASE
(Brucella
abortus) 		4 / 5 PHE A 396
VAL A 381
PRO A 262
VAL A 402
 None
 1.37A 6ekzA-3ek1A:
undetectable		 6ekzA-3ek1A:
12.44