SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4q0c'

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.
1CQE_A_FLPA1650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
None
1.01A 1cqeA-4q0cA:
undetectable
1cqeA-4q0cA:
21.79
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.
1CQE_B_FLPB2650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
None
1.00A 1cqeB-4q0cA:
undetectable
1cqeB-4q0cA:
21.79
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.
1JGL_L_ESTL911_1
(IG GAMMA-1-CHAIN
IG KAPPA-CHAIN)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 10 GLY A 281
ALA A 147
TYR A  92
LEU A  88
HIS A 273
None
1.24A 1jglH-4q0cA:
undetectable
1jglL-4q0cA:
undetectable
1jglH-4q0cA:
17.49
1jglL-4q0cA:
16.20
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.
1MX1_E_THAE5_1
(LIVER
CARBOXYLESTERASE I)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 LEU A  38
VAL A 106
VAL A 261
LEU A 126
LEU A 265
None
1.07A 1mx1E-4q0cA:
undetectable
1mx1E-4q0cA:
20.39
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.
1PXX_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 10 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
None
1.01A 1pxxA-4q0cA:
undetectable
1pxxA-4q0cA:
23.21
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.
1PXX_C_DIFC2701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
None
1.02A 1pxxC-4q0cA:
undetectable
1pxxC-4q0cA:
23.21
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.
1SQ5_D_PAUD6004_0
(PANTOTHENATE KINASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 10 VAL A 174
LEU A 167
LEU A 193
TYR A 178
ILE A 241
None
1.47A 1sq5D-4q0cA:
undetectable
1sq5D-4q0cA:
21.96
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.
1XVA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 TYR A  70
ASP A 217
GLY A 249
TYR A  85
TYR A 146
None
1.19A 1xvaA-4q0cA:
undetectable
1xvaA-4q0cA:
19.18
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.
2O4N_A_TPVA300_1
(PROTEASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 ARG A 380
ALA A 368
ILE A 350
GLY A 352
LEU A 374
None
0.87A 2o4nA-4q0cA:
undetectable
2o4nA-4q0cA:
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.
2OTH_A_NIMA300_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
4 / 5 LEU A 518
ALA A 335
ILE A 332
SER A 333
None
1.14A 2othA-4q0cA:
undetectable
2othA-4q0cA:
10.28
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.
2QD4_A_CHDA802_0
(FERROCHELATASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
4 / 6 ARG A 234
ARG A 160
VAL A 308
MET A 303
None
1.35A 2qd4A-4q0cA:
2.5
2qd4A-4q0cA:
19.87
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.
3EM3_B_478B200_1
(PROTEASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
6 / 10 GLY A 372
ALA A 373
VAL A 391
GLY A 331
LEU A 322
ILE A 491
None
1.49A 3em3A-4q0cA:
undetectable
3em3A-4q0cA:
11.46
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
4 / 6 GLN A 201
LEU A 203
GLU A 200
LEU A 224
None
0.92A 3h5gA-4q0cA:
undetectable
3h5gC-4q0cA:
undetectable
3h5gA-4q0cA:
4.30
3h5gC-4q0cA:
4.30
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
4 / 8 SER A 285
LEU A  88
ASP A 149
ASP A 217
None
1.22A 3n2oC-4q0cA:
undetectable
3n2oD-4q0cA:
undetectable
3n2oC-4q0cA:
23.57
3n2oD-4q0cA:
23.57
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.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 11 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
None
1.12A 3n8yA-4q0cA:
undetectable
3n8yA-4q0cA:
21.30
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.
3PGH_D_FLPD701_1
(CYCLOOXYGENASE-2)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
None
1.08A 3pghD-4q0cA:
undetectable
3pghD-4q0cA:
23.07
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.
3RR3_A_FLRA700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
None
1.05A 3rr3A-4q0cA:
undetectable
3rr3A-4q0cA:
23.08
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.
3RR3_B_FLRB700_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
None
1.05A 3rr3B-4q0cA:
undetectable
3rr3B-4q0cA:
23.08
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.
3T3C_A_017A201_2
(HIV-1 PROTEASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 10 ASP A  46
VAL A  47
ILE A  95
ALA A 263
VAL A  49
None
1.04A 3t3cB-4q0cA:
undetectable
3t3cB-4q0cA:
10.85
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.
3U7S_A_017A201_2
(POL POLYPROTEIN)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 9 ARG A 380
ALA A 368
ILE A 350
GLY A 352
LEU A 374
None
0.99A 3u7sB-4q0cA:
undetectable
3u7sB-4q0cA:
10.48
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.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
None
1.10A 4coxA-4q0cA:
undetectable
4coxA-4q0cA:
23.07
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.
4COX_B_IMNB701_1
(CYCLOOXYGENASE-2)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
None
1.10A 4coxB-4q0cA:
undetectable
4coxB-4q0cA:
23.07
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.
4COX_C_IMNC701_1
(CYCLOOXYGENASE-2)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
None
1.10A 4coxC-4q0cA:
undetectable
4coxC-4q0cA:
23.07
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.
4COX_D_IMND701_1
(CYCLOOXYGENASE-2)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
None
1.08A 4coxD-4q0cA:
undetectable
4coxD-4q0cA:
23.07
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.
4F4D_A_CHDA505_0
(FERROCHELATASE,
MITOCHONDRIAL)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
4 / 7 ARG A 234
ARG A 160
VAL A 308
MET A 303
None
1.47A 4f4dA-4q0cA:
undetectable
4f4dA-4q0cA:
19.87
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.
4MM5_A_SREA603_1
(TRANSPORTER)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 9 VAL A 311
ALA A 312
GLY A 330
PHE A 329
GLY A 352
None
1.25A 4mm5A-4q0cA:
undetectable
4mm5A-4q0cA:
23.40
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.
4MMB_A_SREA603_1
(TRANSPORTER)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 9 VAL A 311
ALA A 312
GLY A 330
PHE A 329
GLY A 352
None
1.27A 4mmbA-4q0cA:
undetectable
4mmbA-4q0cA:
22.91
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.
4MME_A_29QA603_1
(TRANSPORTER)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 9 VAL A 311
ALA A 312
GLY A 330
PHE A 329
GLY A 352
None
1.24A 4mmeA-4q0cA:
undetectable
4mmeA-4q0cA:
22.91
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.
4MMF_A_29QA603_1
(TRANSPORTER)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 9 VAL A 311
ALA A 312
GLY A 330
PHE A 329
GLY A 352
None
1.22A 4mmfA-4q0cA:
undetectable
4mmfA-4q0cA:
22.50
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.
4MMF_B_29QB603_1
(TRANSPORTER)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 9 VAL A 311
ALA A 312
GLY A 330
PHE A 329
GLY A 352
None
1.21A 4mmfB-4q0cA:
undetectable
4mmfB-4q0cA:
22.50
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.
4OJB_A_198A1001_2
(ANDROGEN RECEPTOR)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
4 / 7 LEU A 346
ILE A 351
ILE A 350
VAL A 313
None
0.84A 4ojbA-4q0cA:
undetectable
4ojbA-4q0cA:
17.58
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.
4QC6_B_KANB201_2
(BIFUNCTIONAL AAC/APH)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
3 / 3 LEU A  88
ASP A  91
TYR A  92
None
0.45A 4qc6B-4q0cA:
undetectable
4qc6B-4q0cA:
15.54
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.
4RRX_A_LURA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
None
1.09A 4rrxA-4q0cA:
undetectable
4rrxA-4q0cA:
23.21
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.
4RRX_B_LURB706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
None
1.09A 4rrxB-4q0cA:
undetectable
4rrxB-4q0cA:
23.21
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.
5BYK_A_OAQA302_0
(SULFOTRANSFERASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 ILE A 215
LEU A 203
VAL A 236
VAL A 235
THR A 221
None
1.29A 5bykA-4q0cA:
undetectable
5bykA-4q0cA:
17.09
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.
5HBS_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 PHE A 375
VAL A 356
LEU A 314
ILE A 397
SER A 465
None
1.15A 5hbsA-4q0cA:
undetectable
5hbsA-4q0cA:
13.18
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.
5HFJ_E_SAME301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 PRO A 319
SER A 465
THR A 462
SER A 528
TYR A 468
None
1.13A 5hfjE-4q0cA:
undetectable
5hfjE-4q0cA:
16.30
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.
5HWA_A_GCSA302_1
(CHITOSANASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
4 / 7 THR A 129
ASP A  78
TYR A  85
GLY A  87
None
1.09A 5hwaA-4q0cA:
undetectable
5hwaA-4q0cA:
17.79
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.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
None
1.10A 5jvzB-4q0cA:
undetectable
5jvzB-4q0cA:
23.40
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.
5N0W_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
4 / 4 SER A 482
ALA A 481
GLN A 461
THR A 399
None
1.38A 5n0wA-4q0cA:
undetectable
5n0wA-4q0cA:
22.49
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.
5N0W_B_SAMB501_1
(PEPTIDE
N-METHYLTRANSFERASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
4 / 5 SER A 482
ALA A 481
GLN A 461
THR A 399
None
1.37A 5n0wB-4q0cA:
2.2
5n0wB-4q0cA:
22.49
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.
5N4I_A_SAMA501_1
(PEPTIDE
N-METHYLTRANSFERASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
4 / 5 SER A 482
ALA A 481
GLN A 461
THR A 399
None
1.34A 5n4iA-4q0cA:
undetectable
5n4iA-4q0cA:
22.49
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.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 ASN A 131
GLY A 244
LEU A 116
GLY A 249
SER A 143
None
0.99A 5vooB-4q0cA:
undetectable
5vooB-4q0cA:
21.26
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.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 ASN A 131
GLY A 244
LEU A 116
GLY A 249
SER A 143
None
1.00A 5vooD-4q0cA:
undetectable
5vooD-4q0cA:
21.26
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.
5VOO_F_C2FF3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 ASN A 131
GLY A 244
LEU A 116
GLY A 249
SER A 143
None
0.99A 5vooF-4q0cA:
undetectable
5vooF-4q0cA:
21.26
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.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
5 / 12 ASN A 131
GLY A 244
LEU A 116
GLY A 249
SER A 143
None
1.01A 5vopA-4q0cA:
undetectable
5vopA-4q0cA:
21.26
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.
6F6I_A_8PRA509_1
(ENVELOPE
GLYCOPROTEIN,GP,GP1
ENVELOPE
GLYCOPROTEIN)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
6 / 12 ARG A 415
VAL A 417
ALA A 458
LEU A 484
THR A 399
LEU A 429
None
1.15A 6f6iA-4q0cA:
undetectable
6f6iB-4q0cA:
undetectable
6f6iA-4q0cA:
9.85
6f6iB-4q0cA:
10.56
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.
6MXT_A_K5YA1401_1
(ENDOLYSIN, BETA-2
ADRENERGIC RECEPTOR
CHIMERA)
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis)
3 / 3 ASP A 516
SER A 222
SER A 226
None
0.73A 6mxtA-4q0cA:
undetectable
6mxtA-4q0cA:
23.01