SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3dme'

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.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.95A 1ddrA-3dmeA:
undetectable
1ddrA-3dmeA:
18.03
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.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.94A 1ddsA-3dmeA:
undetectable
1ddsA-3dmeA:
18.03
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.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.89A 1dyiA-3dmeA:
undetectable
1dyiA-3dmeA:
18.31
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.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.92A 1dyiB-3dmeA:
undetectable
1dyiB-3dmeA:
18.31
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.
1FBY_A_9CRA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  10
ALA A 205
ALA A 204
LEU A 212
ALA A 209
FAD  A 500 (-4.5A)
FAD  A 500 (-3.6A)
None
FAD  A 500 ( 4.3A)
None
1.04A 1fbyA-3dmeA:
undetectable
1fbyA-3dmeA:
20.94
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.
1FBY_B_9CRB1500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  10
ALA A 205
ALA A 204
LEU A 212
ALA A 209
FAD  A 500 (-4.5A)
FAD  A 500 (-3.6A)
None
FAD  A 500 ( 4.3A)
None
1.03A 1fbyB-3dmeA:
undetectable
1fbyB-3dmeA:
20.94
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.
1FM6_A_9CRA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  10
ALA A 205
ALA A 204
LEU A 212
ALA A 209
FAD  A 500 (-4.5A)
FAD  A 500 (-3.6A)
None
FAD  A 500 ( 4.3A)
None
0.97A 1fm6A-3dmeA:
undetectable
1fm6A-3dmeA:
21.00
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.
1FM6_D_BRLD503_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 GLY A 232
SER A  48
HIS A  52
TYR A 248
LEU A 256
FAD  A 500 ( 4.6A)
FAD  A 500 ( 2.9A)
TLA  A 999 ( 3.7A)
TLA  A 999 (-4.7A)
None
1.32A 1fm6D-3dmeA:
undetectable
1fm6D-3dmeA:
21.37
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.
1H4O_A_BEZA1162_0
(PEROXIREDOXIN 5)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 10 PRO A 351
GLY A  54
PHE A 329
THR A 354
GLY A  70
FAD  A 500 (-4.5A)
None
None
FAD  A 500 (-3.8A)
None
1.44A 1h4oA-3dmeA:
undetectable
1h4oB-3dmeA:
undetectable
1h4oA-3dmeA:
19.89
1h4oB-3dmeA:
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.
1ONI_B_BEZB503_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
4 / 6 ARG A  21
ALA A  22
TYR A 156
ILE A 359
None
1.25A 1oniB-3dmeA:
undetectable
1oniC-3dmeA:
undetectable
1oniB-3dmeA:
18.77
1oniC-3dmeA:
18.77
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.
1RA8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.95A 1ra8A-3dmeA:
undetectable
1ra8A-3dmeA:
18.31
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.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.97A 1rd7A-3dmeA:
undetectable
1rd7A-3dmeA:
18.31
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.
1RD7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.86A 1rd7B-3dmeA:
undetectable
1rd7B-3dmeA:
18.31
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.
1RE7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.97A 1re7A-3dmeA:
undetectable
1re7A-3dmeA:
18.31
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.
1RX7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
1.01A 1rx7A-3dmeA:
undetectable
1rx7A-3dmeA:
18.31
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.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.93A 1tdrA-3dmeA:
undetectable
1tdrA-3dmeA:
18.03
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.
1ZGY_A_BRLA503_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 GLY A 232
SER A  48
HIS A  52
TYR A 248
LEU A 256
FAD  A 500 ( 4.6A)
FAD  A 500 ( 2.9A)
TLA  A 999 ( 3.7A)
TLA  A 999 (-4.7A)
None
1.25A 1zgyA-3dmeA:
undetectable
1zgyA-3dmeA:
21.37
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.
2ACL_A_REAA502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ALA A 205
ALA A 204
LEU A 212
ALA A 209
LEU A  31
FAD  A 500 (-3.6A)
None
FAD  A 500 ( 4.3A)
None
None
0.86A 2aclA-3dmeA:
undetectable
2aclE-3dmeA:
undetectable
2aclA-3dmeA:
21.00
2aclE-3dmeA:
21.00
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.
2D0K_B_FOLB2161_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.99A 2d0kB-3dmeA:
undetectable
2d0kB-3dmeA:
18.29
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.
2FQY_A_ADNA400_1
(MEMBRANE LIPOPROTEIN
TMPC)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ASP A 281
ASP A 285
PHE A 235
GLY A 232
ASP A 273
None
None
None
FAD  A 500 ( 4.6A)
None
1.29A 2fqyA-3dmeA:
undetectable
2fqyA-3dmeA:
23.10
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.
2HW2_A_RFPA1200_1
(RIFAMPIN ADP-RIBOSYL
TRANSFERASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 PHE A 292
GLY A 232
SER A  48
GLY A 255
LEU A 256
None
FAD  A 500 ( 4.6A)
FAD  A 500 ( 2.9A)
None
None
1.00A 2hw2A-3dmeA:
undetectable
2hw2A-3dmeA:
17.47
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.
2WEK_B_DIFB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
4 / 6 TYR A 234
ILE A  51
ASN A  47
LEU A 353
None
None
FAD  A 500 (-3.6A)
FAD  A 500 (-4.0A)
1.24A 2wekB-3dmeA:
2.7
2wekB-3dmeA:
22.96
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.
2WEK_B_DIFB1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
4 / 7 VAL A   9
GLY A  11
ALA A  12
LEU A 167
None
FAD  A 500 (-3.3A)
None
None
0.94A 2wekB-3dmeA:
3.0
2wekB-3dmeA:
22.96
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.
2X7H_B_PFNB1374_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
4 / 4 TYR A 248
LEU A 260
LEU A 246
HIS A  52
TLA  A 999 (-4.7A)
None
None
TLA  A 999 ( 3.7A)
1.34A 2x7hB-3dmeA:
2.7
2x7hB-3dmeA:
22.89
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.
3FAL_C_REAC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 10 ILE A  10
ALA A 205
ALA A 204
LEU A 212
ALA A 209
FAD  A 500 (-4.5A)
FAD  A 500 (-3.6A)
None
FAD  A 500 ( 4.3A)
None
0.94A 3falC-3dmeA:
undetectable
3falC-3dmeA:
21.04
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.
3FC6_A_REAA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
6 / 11 ILE A  10
ALA A 205
ALA A 204
LEU A 212
ALA A 209
ILE A   5
FAD  A 500 (-4.5A)
FAD  A 500 (-3.6A)
None
FAD  A 500 ( 4.3A)
None
None
1.25A 3fc6A-3dmeA:
undetectable
3fc6A-3dmeA:
21.04
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.
3K9F_F_LFXF0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
4 / 5 SER A 143
ARG A  69
GLY A  70
GLU A 361
None
1.31A 3k9fA-3dmeA:
undetectable
3k9fB-3dmeA:
undetectable
3k9fC-3dmeA:
undetectable
3k9fA-3dmeA:
23.14
3k9fB-3dmeA:
23.14
3k9fC-3dmeA:
20.63
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.
3MS9_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
4 / 6 VAL A   9
VAL A 168
ILE A   5
ARG A  21
None
1.06A 3ms9A-3dmeA:
undetectable
3ms9A-3dmeA:
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.
3MSS_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
4 / 6 VAL A   9
VAL A 168
ILE A   5
ARG A  21
None
1.02A 3mssA-3dmeA:
undetectable
3mssA-3dmeA:
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.
3MSS_C_STIC1_2
(TYROSINE-PROTEIN
KINASE ABL1)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
4 / 6 VAL A   9
VAL A 168
ILE A   5
ARG A  21
None
1.00A 3mssC-3dmeA:
undetectable
3mssC-3dmeA:
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.
3PRS_A_RITA1001_1
(ENDOTHIAPEPSIN)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 10 ALA A  35
ILE A  19
THR A 363
THR A 171
ILE A   5
FAD  A 500 (-3.6A)
None
None
None
None
1.21A 3prsA-3dmeA:
undetectable
3prsA-3dmeA:
22.79
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.
3SUF_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 11 PHE A 329
GLY A 352
GLY A 347
ALA A 204
ALA A 205
None
FAD  A 500 (-3.1A)
None
None
FAD  A 500 (-3.6A)
1.17A 3sufC-3dmeA:
undetectable
3sufC-3dmeA:
21.93
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.
3TBG_D_RTZD2_1
(CYTOCHROME P450 2D6)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 9 PHE A 243
THR A  95
VAL A  93
LEU A 260
ILE A 247
None
1.19A 3tbgD-3dmeA:
undetectable
3tbgD-3dmeA:
23.46
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.
4ACB_C_DXCC1477_0
(TRANSLATION
ELONGATION FACTOR
SELB)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
4 / 6 THR A 354
GLY A 352
ARG A  21
ILE A 359
FAD  A 500 (-3.8A)
FAD  A 500 (-3.1A)
None
None
1.00A 4acbC-3dmeA:
undetectable
4acbC-3dmeA:
20.95
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.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.88A 4dfrA-3dmeA:
undetectable
4dfrA-3dmeA:
18.03
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.
4EJ1_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.95A 4ej1A-3dmeA:
undetectable
4ej1A-3dmeA:
18.03
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.
4HFP_D_15UD402_1
(PROTHROMBIN)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 LEU A 201
ALA A  12
ALA A  33
VAL A  32
GLY A  16
None
None
None
None
FAD  A 500 (-4.6A)
0.88A 4hfpD-3dmeA:
undetectable
4hfpD-3dmeA:
21.58
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.
4I13_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.92A 4i13A-3dmeA:
undetectable
4i13A-3dmeA:
18.03
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.
4KRH_B_SAMB900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 TYR A  57
LEU A  62
SER A  61
ALA A 330
ARG A 316
None
None
None
None
TLA  A 999 ( 4.0A)
1.16A 4krhB-3dmeA:
3.3
4krhB-3dmeA:
22.00
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.
4KRH_B_SAMB900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 TYR A  57
LEU A  62
SER A  61
ARG A 316
ILE A 359
None
None
None
TLA  A 999 ( 4.0A)
None
1.15A 4krhB-3dmeA:
3.3
4krhB-3dmeA:
22.00
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.
4N09_B_ADNB401_1
(ADENOSINE KINASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 CYH A 198
LEU A 367
GLY A 182
GLY A 183
GLY A 218
None
0.95A 4n09B-3dmeA:
2.8
4n09B-3dmeA:
24.28
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.
4NQA_H_9CRH501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  10
ALA A 205
ALA A 204
LEU A 212
ILE A   5
FAD  A 500 (-4.5A)
FAD  A 500 (-3.6A)
None
FAD  A 500 ( 4.3A)
None
0.99A 4nqaH-3dmeA:
undetectable
4nqaH-3dmeA:
22.78
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.
4P3R_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.95A 4p3rA-3dmeA:
undetectable
4p3rA-3dmeA:
18.03
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.
4PSS_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.95A 4pssA-3dmeA:
undetectable
4pssA-3dmeA:
18.03
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.
4PTJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.93A 4ptjA-3dmeA:
undetectable
4ptjA-3dmeA:
18.03
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.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.92A 4qleA-3dmeA:
undetectable
4qleA-3dmeA:
16.89
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.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.95A 4qlgB-3dmeA:
undetectable
4qlgB-3dmeA:
17.76
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.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.96A 4x5fA-3dmeA:
undetectable
4x5fA-3dmeA:
18.03
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.
4X5F_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.98A 4x5fB-3dmeA:
undetectable
4x5fB-3dmeA:
18.03
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.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.93A 4x5gA-3dmeA:
undetectable
4x5gA-3dmeA:
18.03
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.
4X5G_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.94A 4x5gB-3dmeA:
undetectable
4x5gB-3dmeA:
18.03
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.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.93A 4x5hA-3dmeA:
undetectable
4x5hA-3dmeA:
18.03
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.
4X5J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.99A 4x5jA-3dmeA:
undetectable
4x5jA-3dmeA:
18.03
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.
5E8Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.93A 5e8qA-3dmeA:
undetectable
5e8qA-3dmeA:
18.31
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.
5EAJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.90A 5eajA-3dmeA:
undetectable
5eajA-3dmeA:
18.31
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.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.91A 5eajB-3dmeA:
undetectable
5eajB-3dmeA:
18.31
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.
5IMS_A_ACTA708_0
(ACETOLACTATE
SYNTHASE CATALYTIC
SUBUNIT,
MITOCHONDRIAL)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
3 / 3 GLY A 266
GLY A 265
GLN A  86
None
0.46A 5imsA-3dmeA:
undetectable
5imsA-3dmeA:
20.82
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.
5MVM_A_PFLA511_1
(PROTON-GATED ION
CHANNEL)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
4 / 8 ILE A 319
PRO A 210
ALA A 330
ILE A 348
None
None
None
FAD  A 500 (-4.6A)
0.76A 5mvmA-3dmeA:
undetectable
5mvmB-3dmeA:
undetectable
5mvmA-3dmeA:
12.53
5mvmB-3dmeA:
12.53
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.
5NUK_A_Z80A201_1
(BETA-LACTOGLOBULIN)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 10 ALA A  94
VAL A 250
ILE A  55
ALA A 100
GLN A 102
None
1.20A 5nukA-3dmeA:
undetectable
5nukA-3dmeA:
11.65
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.
5UAN_A_9CRA503_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  10
ALA A 205
ALA A 204
LEU A 212
ALA A 209
FAD  A 500 (-4.5A)
FAD  A 500 (-3.6A)
None
FAD  A 500 ( 4.3A)
None
0.99A 5uanA-3dmeA:
undetectable
5uanA-3dmeA:
22.78
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.
5UJX_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.97A 5ujxA-3dmeA:
undetectable
5ujxA-3dmeA:
18.31
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.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.96A 5ujxB-3dmeA:
undetectable
5ujxB-3dmeA:
18.31
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_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
3 / 3 SER A 350
HIS A  52
TYR A 248
TLA  A 999 ( 2.6A)
TLA  A 999 ( 3.7A)
TLA  A 999 (-4.7A)
0.96A 5y2tA-3dmeA:
undetectable
5y2tA-3dmeA:
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.
5Z12_C_9CRC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  10
ALA A 205
ALA A 204
LEU A 212
ALA A 209
FAD  A 500 (-4.5A)
FAD  A 500 (-3.6A)
None
FAD  A 500 ( 4.3A)
None
1.02A 5z12C-3dmeA:
undetectable
5z12C-3dmeA:
14.02
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.
5Z6F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.98A 5z6fA-3dmeA:
undetectable
5z6fA-3dmeA:
18.03
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.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
5 / 12 ILE A  55
LEU A 246
THR A 354
ILE A  51
TYR A  57
None
None
FAD  A 500 (-3.8A)
None
None
0.93A 5z6jA-3dmeA:
undetectable
5z6jA-3dmeA:
18.03
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.
6APH_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
4 / 5 GLN A  86
THR A 354
HIS A  52
LEU A 246
None
FAD  A 500 (-3.8A)
TLA  A 999 ( 3.7A)
None
1.21A 6aphA-3dmeA:
undetectable
6aphA-3dmeA:
22.48
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.
6GBN_B_ADNB501_2
(-)
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis)
4 / 5 GLN A  86
THR A 354
HIS A  52
LEU A 246
None
FAD  A 500 (-3.8A)
TLA  A 999 ( 3.7A)
None
1.22A 6gbnB-3dmeA:
undetectable
6gbnB-3dmeA:
23.19