SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ne5'

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.
1C4D_B_DVAB8_0
(GRAMICIDIN A)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		3 / 3 TRP A 916
VAL A 550
TRP A 552
 None
 1.11A 1c4dA-3ne5A:
undetectable
1c4dB-3ne5A:
undetectable		 1c4dA-3ne5A:
2.70
1c4dB-3ne5A:
2.70
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.
1E7B_A_HLTA4001_1
(SERUM ALBUMIN)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 5 ARG A 867
LYS A 871
ALA A 868
GLY A 472
 None
 0.91A 1e7bA-3ne5A:
undetectable		 1e7bA-3ne5A:
19.40
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.
1HPK_A_ACAA80_1
(PLASMINOGEN)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 6 ASN A 651
ASP A 650
TRP A 662
TYR A 572
 None
 1.34A 1hpkA-3ne5A:
undetectable		 1hpkA-3ne5A:
5.72
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.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 GLU A 176
THR A 614
GLY A 137
GLY A 135
ALA A 133
 None
 1.26A 1httC-3ne5A:
undetectable		 1httC-3ne5A:
17.70
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.
1HTT_D_HISD450_0
(HISTIDYL-TRNA
SYNTHETASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 GLU A 176
THR A 614
GLY A 137
GLY A 135
ALA A 133
 None
 1.21A 1httD-3ne5A:
undetectable		 1httD-3ne5A:
17.70
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.
1ICR_A_NIOA604_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 5 SER A 923
THR A 926
PHE A 920
GLU A 560
 None
 1.29A 1icrA-3ne5A:
2.5
1icrB-3ne5A:
undetectable		 1icrA-3ne5A:
11.47
1icrB-3ne5A:
11.47
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.
1ICR_B_NIOB602_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 5 GLU A 560
SER A 923
THR A 926
PHE A 920
 None
 1.28A 1icrA-3ne5A:
2.5
1icrB-3ne5A:
undetectable		 1icrA-3ne5A:
11.47
1icrB-3ne5A:
11.47
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.
1ICV_C_NIOC708_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 5 SER A 923
THR A 926
PHE A 920
GLU A 560
 None
 1.31A 1icvC-3ne5A:
3.0
1icvD-3ne5A:
2.9		 1icvC-3ne5A:
11.47
1icvD-3ne5A:
11.47
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.
1IE9_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 4 LEU A  23
ILE A 499
ARG A  13
TRP A 504
 None
 1.46A 1ie9A-3ne5A:
0.0		 1ie9A-3ne5A:
13.80
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.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 9 ALA A1023
SER A 453
ILE A 457
ILE A 991
THR A1022
 None
 1.01A 1j3jB-3ne5A:
undetectable		 1j3jB-3ne5A:
12.08
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.
1JDV_A_ADNA1260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 10 ARG A 669
THR A 627
VAL A 624
GLU A 625
ASP A 593
 None
 1.25A 1jdvA-3ne5A:
undetectable
1jdvD-3ne5A:
undetectable		 1jdvA-3ne5A:
12.56
1jdvD-3ne5A:
12.56
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.
1JDV_B_ADNB2260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 10 ARG A 669
THR A 627
VAL A 624
GLU A 625
ASP A 593
 None
 1.27A 1jdvB-3ne5A:
undetectable
1jdvC-3ne5A:
undetectable		 1jdvB-3ne5A:
12.56
1jdvC-3ne5A:
12.56
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.
1JDV_E_ADNE4260_1
(5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 ARG A 669
THR A 627
VAL A 624
GLU A 625
ASP A 593
 None
 1.27A 1jdvE-3ne5A:
undetectable
1jdvF-3ne5A:
undetectable		 1jdvE-3ne5A:
12.56
1jdvF-3ne5A:
12.56
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.
1KQB_B_BEZB525_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 5 GLU A 560
SER A 923
THR A 926
PHE A 920
 None
 1.24A 1kqbA-3ne5A:
2.2
1kqbB-3ne5A:
undetectable		 1kqbA-3ne5A:
11.74
1kqbB-3ne5A:
11.74
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.
1KT3_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 7 LEU A 315
TYR A 142
LEU A 156
GLN A 160
 None
 1.05A 1kt3A-3ne5A:
undetectable		 1kt3A-3ne5A:
11.13
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.
1LIN_A_TFPA155_1
(CALMODULIN)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 7 GLU A 345
PHE A 461
MET A1016
ALA A1014
 None
 1.16A 1linA-3ne5A:
0.9		 1linA-3ne5A:
9.59
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.
1MAA_B_DMEB996_1
(ACETYLCHOLINESTERASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 6 GLU A 613
ILE A  49
TYR A  94
GLY A  84
 None
 1.00A 1maaB-3ne5A:
2.1
1maaD-3ne5A:
undetectable		 1maaB-3ne5A:
20.17
1maaD-3ne5A:
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.
1Q8J_A_C2FA801_0
(5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 GLU A 141
ASN A 279
ASP A 593
GLY A 607
ARG A 669
 None
 1.35A 1q8jA-3ne5A:
undetectable		 1q8jA-3ne5A:
21.85
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.
1QKN_A_RALA600_1
(ESTROGEN RECEPTOR
BETA)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 LEU A 864
ALA A 868
LEU A 467
ILE A 670
LEU A 562
 None
 0.99A 1qknA-3ne5A:
undetectable		 1qknA-3ne5A:
14.13
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.
1SV9_A_DIFA701_1
(PHOSPHOLIPASE A2)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 8 LEU A 153
ALA A 276
ILE A 275
GLY A 282
 None
 0.84A 1sv9A-3ne5A:
undetectable		 1sv9A-3ne5A:
8.30
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.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		6 / 12 ALA A1013
PHE A 461
GLY A 395
GLY A 394
LEU A 338
LEU A  39
 None
 1.28A 1ya4A-3ne5A:
undetectable		 1ya4A-3ne5A:
20.65
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.
2A15_A_NCAA1001_0
(HYPOTHETICAL PROTEIN
RV0760C)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 11 VAL A 262
ILE A 201
LEU A 196
LEU A 770
LEU A 203
 None
 1.24A 2a15A-3ne5A:
undetectable		 2a15A-3ne5A:
9.05
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.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 ALA A1023
SER A 453
ILE A 457
ILE A 991
THR A1022
 None
 0.97A 2bl9A-3ne5A:
undetectable		 2bl9A-3ne5A:
12.98
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.
2BM9_D_SAMD301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 LEU A 372
LEU A 492
CYH A 353
ALA A 366
ALA A 363
 None
 1.15A 2bm9D-3ne5A:
undetectable		 2bm9D-3ne5A:
12.43
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.
2NNH_A_9CRA501_1
(CYTOCHROME P450 2C8)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 11 GLY A 287
ILE A 139
ALA A 297
VAL A 304
ILE A 171
 None
 0.95A 2nnhA-3ne5A:
1.2		 2nnhA-3ne5A:
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.
2NV4_A_ACTA148_0
(UPF0066 PROTEIN
AF_0241)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		3 / 3 VAL A 348
GLU A 344
GLU A 345
 None
 0.76A 2nv4A-3ne5A:
undetectable		 2nv4A-3ne5A:
8.90
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.
2OA1_B_ADNB2005_1
(TRYPTOPHAN
HALOGENASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 7 GLY A 181
GLY A 182
ASP A 161
VAL A 288
 None
 0.72A 2oa1B-3ne5A:
undetectable		 2oa1B-3ne5A:
20.36
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_1
(MINERALOCORTICOID
RECEPTOR)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 ASN A 389
MET A1009
LEU A 562
ARG A 667
THR A 481
 None
 1.34A 2oaxA-3ne5A:
undetectable		 2oaxA-3ne5A:
14.71
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_B_SNLB2001_1
(MINERALOCORTICOID
RECEPTOR)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 ASN A 389
MET A1009
LEU A 562
ARG A 667
THR A 481
 None
 1.32A 2oaxB-3ne5A:
undetectable		 2oaxB-3ne5A:
14.71
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_C_SNLC3001_1
(MINERALOCORTICOID
RECEPTOR)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 ASN A 389
MET A1009
LEU A 562
ARG A 667
THR A 481
 None
 1.31A 2oaxC-3ne5A:
undetectable		 2oaxC-3ne5A:
14.71
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_F_SNLF6001_1
(MINERALOCORTICOID
RECEPTOR)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 ASN A 389
MET A1009
LEU A 562
ARG A 667
THR A 481
 None
 1.30A 2oaxF-3ne5A:
undetectable		 2oaxF-3ne5A:
14.71
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.
2RLF_B_RIMB299_1
(MATRIX PROTEIN 2)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 6 LEU A  42
LEU A 474
ILE A 666
ARG A 667
 None
 0.98A 2rlfB-3ne5A:
1.3
2rlfC-3ne5A:
undetectable		 2rlfB-3ne5A:
3.94
2rlfC-3ne5A:
3.94
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.
2ZLC_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 5 LEU A  23
ILE A 499
ARG A  13
TRP A 504
 None
 1.48A 2zlcA-3ne5A:
1.1		 2zlcA-3ne5A:
13.61
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.
3AIA_B_SAMB206_0
(UPF0217 PROTEIN
MJ1640)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 5 SER A 822
LEU A 577
GLY A 720
GLU A 716
 None
 1.23A 3aiaA-3ne5A:
undetectable
3aiaB-3ne5A:
undetectable		 3aiaA-3ne5A:
11.72
3aiaB-3ne5A:
11.72
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.
3DTU_C_DXCC576_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 8 ALA A 938
ALA A 937
ILE A 883
THR A 879
 None
 0.85A 3dtuC-3ne5A:
undetectable
3dtuD-3ne5A:
undetectable		 3dtuC-3ne5A:
20.17
3dtuD-3ne5A:
13.25
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.
3GN8_A_DEXA247_2
(GLUCOCORTICOID
RECEPTOR 2)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		3 / 3 MET A 944
MET A1038
PHE A1029
 None
 1.29A 3gn8A-3ne5A:
undetectable		 3gn8A-3ne5A:
13.28
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.
3GP0_A_NILA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 7 VAL A 496
LEU A 364
MET A 410
ILE A 499
 None
 0.95A 3gp0A-3ne5A:
undetectable		 3gp0A-3ne5A:
16.12
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.
3LBD_A_9CRA424_1
(RETINOIC ACID
RECEPTOR GAMMA)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 ALA A1034
LEU A 899
ARG A1042
ALA A 544
ILE A1030
 None
 1.47A 3lbdA-3ne5A:
undetectable		 3lbdA-3ne5A:
13.84
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 TYR A 142
GLY A 181
ALA A 612
THR A 614
ILE A 290
 None
 1.45A 3ld6B-3ne5A:
undetectable		 3ld6B-3ne5A:
18.76
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.
3MBG_C_ACTC800_0
(FAD-LINKED
SULFHYDRYL OXIDASE
ALR)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		3 / 3 ASP A  37
ARG A 327
ALA A  38
 None
 0.76A 3mbgC-3ne5A:
1.2		 3mbgC-3ne5A:
7.76
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.
3NXU_B_RITB600_1
(CYTOCHROME P450 3A4)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 LEU A 474
PHE A 378
THR A  34
ILE A 565
ILE A 998
 None
 1.19A 3nxuB-3ne5A:
2.5		 3nxuB-3ne5A:
20.77
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.
3P4W_C_DSFC320_1
(GLR4197 PROTEIN)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 8 PRO A1024
ILE A 991
ILE A 992
VAL A 936
 None
 0.83A 3p4wC-3ne5A:
2.4		 3p4wC-3ne5A:
15.88
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.
3QGT_B_CP6B609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 10 ALA A1023
SER A 453
ILE A 457
ILE A 991
THR A1022
 None
 1.04A 3qgtB-3ne5A:
undetectable		 3qgtB-3ne5A:
18.36
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.
3SUF_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		3 / 3 TYR A 142
LEU A 570
ARG A 604
 None
 0.79A 3sufB-3ne5A:
undetectable		 3sufB-3ne5A:
11.51
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.
3T8N_D_EDTD135_0
(STEROID
DELTA-ISOMERASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 11 THR A 808
GLY A 809
PRO A 810
GLY A 579
PRO A 578
 None
 1.28A 3t8nD-3ne5A:
undetectable
3t8nF-3ne5A:
undetectable		 3t8nD-3ne5A:
7.44
3t8nF-3ne5A:
7.44
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.
3W1W_A_CHDA1503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 8 MET A 486
ILE A 398
LEU A 995
VAL A 936
GLY A 935
 None
 1.23A 3w1wA-3ne5A:
undetectable		 3w1wA-3ne5A:
17.20
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.
3WRI_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 5 LEU A 492
GLY A 488
ILE A 379
VAL A 380
 None
 0.54A 3wriA-3ne5A:
undetectable		 3wriA-3ne5A:
18.34
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.
3WRI_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 5 LEU A 492
GLY A 488
ILE A 379
VAL A 380
 None
 0.54A 3wriB-3ne5A:
undetectable		 3wriB-3ne5A:
18.34
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.
3WRK_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 5 LEU A 492
GLY A 488
ILE A 379
VAL A 380
 None
 0.58A 3wrkA-3ne5A:
0.8		 3wrkA-3ne5A:
18.34
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.
4F4D_B_CHDB505_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 MET A 696
LEU A 840
ILE A 826
SER A 855
THR A 854
 None
 1.24A 4f4dB-3ne5A:
undetectable		 4f4dB-3ne5A:
16.14
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.
4FGZ_B_CQAB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 8 SER A 674
GLU A 471
GLU A 468
GLY A 476
 None
 0.88A 4fgzA-3ne5A:
undetectable
4fgzB-3ne5A:
undetectable		 4fgzA-3ne5A:
13.03
4fgzB-3ne5A:
13.03
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.
4IMA_D_ADND604_1
(PYRUVATE KINASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		3 / 3 ARG A 669
GLU A 625
ASN A 668
 None
 0.85A 4imaD-3ne5A:
undetectable		 4imaD-3ne5A:
20.73
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.
4IP7_D_ADND604_1
(PYRUVATE KINASE
ISOZYMES L)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		3 / 3 ARG A 669
GLU A 625
ASN A 668
 None
 0.79A 4ip7D-3ne5A:
undetectable		 4ip7D-3ne5A:
20.78
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.
4KT0_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 11 ALA A1013
LEU A 995
GLY A 994
ILE A 883
LEU A 886
 None
 1.07A 4kt0A-3ne5A:
undetectable
4kt0J-3ne5A:
undetectable		 4kt0A-3ne5A:
22.35
4kt0J-3ne5A:
3.76
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.
4NKV_A_AERA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 5 LEU A 745
ASP A 211
GLU A 205
VAL A 262
 None
 0.89A 4nkvA-3ne5A:
undetectable		 4nkvA-3ne5A:
19.89
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.
4NKX_A_STRA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 6 LEU A 315
GLU A 320
VAL A 284
ALA A 285
 None
 0.98A 4nkxA-3ne5A:
3.1		 4nkxA-3ne5A:
19.89
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.
4OR0_A_NPSA603_1
(SERUM ALBUMIN)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 11 LEU A 770
SER A 749
ASP A 211
LEU A 210
LEU A 203
 None
 1.43A 4or0A-3ne5A:
undetectable		 4or0A-3ne5A:
21.75
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.
4UBE_A_2FAA401_2
(ADENOSINE KINASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 4 ALA A 695
VAL A 689
GLY A 853
THR A 854
 None
 1.11A 4ubeA-3ne5A:
undetectable		 4ubeA-3ne5A:
16.76
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.
4UUU_A_SAMA1546_0
(CYSTATHIONINE
BETA-SYNTHASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 11 LEU A 357
ASP A 405
ALA A 366
VAL A 349
ILE A 992
 None
 1.24A 4uuuA-3ne5A:
undetectable
4uuuB-3ne5A:
undetectable		 4uuuA-3ne5A:
9.49
4uuuB-3ne5A:
9.49
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.
4UUU_B_SAMB1548_0
(CYSTATHIONINE
BETA-SYNTHASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 11 LEU A 357
ASP A 405
ALA A 366
VAL A 349
ILE A 992
 None
 1.19A 4uuuB-3ne5A:
undetectable		 4uuuB-3ne5A:
9.49
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.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 LEU A 467
VAL A1008
ILE A1012
GLY A 929
LEU A 872
 None
 1.03A 4y8wC-3ne5A:
1.8		 4y8wC-3ne5A:
19.79
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.
4ZME_A_ADNA1002_1
(MYOSIN HEAVY CHAIN
KINASE A)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 11 PHE A 606
ALA A 276
GLY A 274
LEU A 164
LEU A 144
 None
 1.11A 4zmeA-3ne5A:
undetectable		 4zmeA-3ne5A:
14.53
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.
5DXE_A_ESTA1000_1
(ESTROGEN RECEPTOR)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 8 GLU A 896
LEU A 945
MET A 944
LEU A 973
 None
 1.20A 5dxeA-3ne5A:
undetectable		 5dxeA-3ne5A:
14.41
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.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 GLU A 176
THR A 614
GLY A 137
GLY A 135
ALA A 133
 None
 1.24A 5e3iA-3ne5A:
undetectable		 5e3iA-3ne5A:
17.54
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 11 GLU A 176
THR A 614
GLY A 137
GLY A 135
ALA A 133
 None
 1.25A 5e3iB-3ne5A:
undetectable		 5e3iB-3ne5A:
17.54
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.
5E4D_B_BEZB202_0
(HYDROXYNITRILE LYASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 7 VAL A 624
THR A 626
LEU A 658
VAL A 653
 None
 0.92A 5e4dA-3ne5A:
3.8
5e4dB-3ne5A:
3.8		 5e4dA-3ne5A:
11.04
5e4dB-3ne5A:
11.04
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.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 LEU A 915
GLY A 927
PRO A1015
PHE A 475
GLY A 394
 None
 1.15A 5f9zA-3ne5A:
undetectable		 5f9zA-3ne5A:
19.30
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.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 LEU A 915
GLY A 927
PRO A1015
PHE A 475
GLY A 395
 None
 1.17A 5f9zA-3ne5A:
undetectable		 5f9zA-3ne5A:
19.30
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.
5FCT_B_C2FB402_0
(THYMIDYLATE SYNTHASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 PHE A 906
ILE A1030
LEU A 533
LEU A1028
ALA A 977
 None
 1.39A 5fctB-3ne5A:
undetectable		 5fctB-3ne5A:
15.20
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.
5MM4_B_TA1B501_1
(TUBULIN BETA CHAIN)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 10 VAL A  76
GLU A 112
LEU A 673
ALA A 106
LEU A 129
 None
 1.45A 5mm4B-3ne5A:
undetectable		 5mm4B-3ne5A:
5.96
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.
5VLM_B_CVIB301_1
(REGULATORY PROTEIN
TETR)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 8 GLY A 682
GLN A 470
ASP A 671
ASP A 827
 None
 1.04A 5vlmB-3ne5A:
2.5		 5vlmB-3ne5A:
10.86
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.
5Y2T_A_8LXA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		5 / 12 LEU A 886
PHE A 461
GLY A 935
MET A 486
LEU A 478
 None
 0.94A 5y2tA-3ne5A:
undetectable		 5y2tA-3ne5A:
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.
6CBZ_A_ESTA601_1
(ESTROGEN RECEPTOR)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 8 GLU A 896
LEU A 945
MET A 944
LEU A 973
 None
 1.20A 6cbzA-3ne5A:
undetectable		 6cbzA-3ne5A:
6.84
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.
6CBZ_A_ESTA601_1
(ESTROGEN RECEPTOR)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		4 / 8 LEU A  42
GLU A 471
LEU A 864
LEU A 673
 None
 1.27A 6cbzA-3ne5A:
undetectable		 6cbzA-3ne5A:
6.84
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.
6DH0_A_017A101_2
(PROTEASE)		 3ne5 CATION EFFLUX SYSTEM
PROTEIN CUSA
(Escherichia
coli) 		3 / 3 LEU A 478
ASP A  37
ILE A 335
 None
 0.45A 6dh0B-3ne5A:
undetectable		 6dh0B-3ne5A:
6.77