SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3mpl'

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))		 3mpl 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 1cqeA-3mplA:
undetectable		 1cqeA-3mplA:
16.27
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.
1CQE_B_FLPB2650_1
(PROTEIN
(PROSTAGLANDIN H2
SYNTHASE-1))		 3mpl 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-3mplA:
undetectable		 1cqeB-3mplA:
16.27
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.
1HBP_A_RTLA184_0
(RETINOL BINDING
PROTEIN)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 11 LEU A 486
ALA A 405
ALA A 481
VAL A 460
LEU A 412
 None
 1.21A 1hbpA-3mplA:
undetectable		 1hbpA-3mplA:
19.63
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.
1PXX_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 10 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
 None
 1.05A 1pxxA-3mplA:
undetectable		 1pxxA-3mplA:
16.61
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.
1PXX_C_DIFC2701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 12 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
 None
 1.07A 1pxxC-3mplA:
undetectable		 1pxxC-3mplA:
16.61
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.
1RBP_A_RTLA183_0
(PLASMA
RETINOL-BINDING
PROTEIN PRECURSOR)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 12 LEU A 486
ALA A 405
ALA A 481
VAL A 460
LEU A 412
 None
 1.13A 1rbpA-3mplA:
undetectable		 1rbpA-3mplA:
21.27
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.
2IGT_B_SAMB1002_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		3 / 3 ASP A 410
ASP A 413
ASP A 485
 None
 0.68A 2igtB-3mplA:
undetectable		 2igtB-3mplA:
25.72
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.
2O4N_A_TPVA300_1
(PROTEASE)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 12 ARG A 380
ALA A 368
ILE A 350
GLY A 352
LEU A 374
 None
 0.91A 2o4nA-3mplA:
undetectable		 2o4nA-3mplA:
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.
2WUZ_A_TPFA1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE
, PUTATIVE)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 10 TYR A 390
ALA A 335
ALA A 334
MET A 370
VAL A 311
 None
 1.29A 2wuzA-3mplA:
undetectable		 2wuzA-3mplA:
17.55
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.
2YQZ_A_SAMA301_0
(HYPOTHETICAL PROTEIN
TTHA0223)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 12 ILE A 480
ALA A 456
ASP A 457
ALA A 447
VAL A 396
 None
 1.00A 2yqzA-3mplA:
undetectable		 2yqzA-3mplA:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		4 / 8 LEU A 510
ARG A 343
THR A 344
GLY A 372
 EDO  A   1 (-3.9A)
None
None
None
 0.92A 3ny4A-3mplA:
undetectable		 3ny4A-3mplA:
20.48
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.
3W9T_E_W9TE505_1
(HEMOLYTIC LECTIN
CEL-III)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		4 / 5 ASP A 369
GLU A 367
GLY A 366
GLN A 499
 None
 1.12A 3w9tE-3mplA:
undetectable		 3w9tE-3mplA:
20.50
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.
4MM5_A_SREA603_1
(TRANSPORTER)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 9 VAL A 311
ALA A 312
GLY A 330
PHE A 329
GLY A 352
 None
 1.28A 4mm5A-3mplA:
undetectable		 4mm5A-3mplA:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 9 VAL A 311
ALA A 312
GLY A 330
PHE A 329
GLY A 352
 None
 1.31A 4mmbA-3mplA:
undetectable		 4mmbA-3mplA:
18.39
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.
4MME_A_29QA603_1
(TRANSPORTER)		 3mpl 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 4mmeA-3mplA:
undetectable		 4mmeA-3mplA:
18.39
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.
4MMF_A_29QA603_1
(TRANSPORTER)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 9 VAL A 311
ALA A 312
GLY A 330
PHE A 329
GLY A 352
 None
 1.26A 4mmfA-3mplA:
undetectable		 4mmfA-3mplA:
18.98
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.
4MMF_B_29QB603_1
(TRANSPORTER)		 3mpl 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 4mmfB-3mplA:
undetectable		 4mmfB-3mplA:
18.98
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.
4OJB_A_198A1001_2
(ANDROGEN RECEPTOR)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		4 / 7 LEU A 346
ILE A 351
ILE A 350
VAL A 313
 None
 0.86A 4ojbA-3mplA:
undetectable		 4ojbA-3mplA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PH9_A_IBPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 10 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
 None
 1.13A 4ph9A-3mplA:
undetectable		 4ph9A-3mplA:
18.51
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.
4PH9_B_IBPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 10 VAL A 313
GLY A 331
ALA A 334
SER A 333
LEU A 337
 None
 1.11A 4ph9B-3mplA:
undetectable		 4ph9B-3mplA:
18.51
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.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3mpl 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 5jvzB-3mplA:
undetectable		 5jvzB-3mplA:
18.47
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.
5LF3_H_BO2H306_1
(PROTEASOME SUBUNIT
BETA TYPE-7
PROTEASOME SUBUNIT
BETA TYPE-3)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 10 THR A 321
GLU A 349
ALA A 373
GLY A 372
ALA A 312
 None
 0.97A 5lf3H-3mplA:
undetectable
5lf3I-3mplA:
undetectable		 5lf3H-3mplA:
22.81
5lf3I-3mplA:
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.
5LF3_V_BO2V303_1
(PROTEASOME SUBUNIT
BETA TYPE-7
PROTEASOME SUBUNIT
BETA TYPE-3)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 10 THR A 321
GLU A 349
ALA A 373
GLY A 372
ALA A 312
 None
 1.00A 5lf3V-3mplA:
undetectable
5lf3W-3mplA:
undetectable		 5lf3V-3mplA:
22.81
5lf3W-3mplA:
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.
5LF7_H_6V8H305_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 11 THR A 321
GLU A 349
ALA A 373
GLY A 372
ALA A 312
 None
 1.03A 5lf7H-3mplA:
undetectable
5lf7I-3mplA:
undetectable		 5lf7H-3mplA:
22.81
5lf7I-3mplA:
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.
5LF7_V_6V8V303_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 11 THR A 321
GLU A 349
ALA A 373
GLY A 372
ALA A 312
 None
 1.07A 5lf7V-3mplA:
undetectable
5lf7W-3mplA:
undetectable		 5lf7V-3mplA:
22.81
5lf7W-3mplA:
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.
6F5U_A_CQNA610_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		6 / 10 ARG A 415
VAL A 417
ALA A 458
LEU A 484
THR A 399
LEU A 429
 None
 1.06A 6f5uA-3mplA:
0.1
6f5uB-3mplA:
undetectable		 6f5uA-3mplA:
14.44
6f5uB-3mplA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 12 ARG A 415
VAL A 417
ALA A 458
THR A 399
LEU A 429
 None
 0.67A 6f6iA-3mplA:
undetectable
6f6iB-3mplA:
undetectable		 6f6iA-3mplA:
14.44
6f6iB-3mplA:
18.64
Potential target for repurposing, i.e. matched protein structure has less than 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)		 3mpl VIRULENCE SENSOR
PROTEIN BVGS
(Bordetella
pertussis) 		5 / 12 ARG A 415
VAL A 417
LEU A 419
ALA A 458
LEU A 429
 None
None
EDO  A 543 ( 4.9A)
None
None
 0.61A 6f6iA-3mplA:
undetectable
6f6iB-3mplA:
undetectable		 6f6iA-3mplA:
14.44
6f6iB-3mplA:
18.64