SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2qpq'

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.
1GTI_F_CCSF47_0
(GLUTATHIONE
S-TRANSFERASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		4 / 5 LEU A 120
GLY A 118
LYS A 113
TYR A 114
 None
 1.38A 1gtiF-2qpqA:
undetectable		 1gtiF-2qpqA:
23.73
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.
1HXB_A_ROCA100_2
(HIV-1 PROTEASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		3 / 3 ARG A  27
THR A  15
VAL A  14
 None
 0.91A 1hxbA-2qpqA:
undetectable		 1hxbA-2qpqA:
14.95
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.
1T9U_A_CPFA5002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		4 / 6 PHE A  75
ASN A  78
ASN A  98
GLN A 228
 None
None
None
CIT  A 302 (-2.9A)
 1.36A 1t9uA-2qpqA:
1.7		 1t9uA-2qpqA:
14.76
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.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		4 / 6 MET A 121
VAL A 108
LEU A 179
MET A 157
 None
 0.97A 1x8vA-2qpqA:
undetectable		 1x8vA-2qpqA:
21.28
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.
1YC2_A_NCAA506_0
(NAD-DEPENDENT
DEACETYLASE 2)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		4 / 6 ALA A 100
ASN A  98
ILE A  97
ASP A 273
 None
 1.03A 1yc2A-2qpqA:
undetectable		 1yc2A-2qpqA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YC2_D_NCAD510_0
(NAD-DEPENDENT
DEACETYLASE 2)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		4 / 5 ALA A 100
ASN A  98
ILE A  97
ASP A 273
 None
 1.00A 1yc2D-2qpqA:
undetectable		 1yc2D-2qpqA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_D_MIXD3539_2
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		3 / 3 VAL A 181
VAL A 201
ASP A 285
 None
 0.72A 2fumD-2qpqA:
1.3		 2fumD-2qpqA:
23.72
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.
2H4J_A_NCAA1002_0
(NAD-DEPENDENT
DEACETYLASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		4 / 5 ALA A 100
ASN A  98
ILE A  97
ASP A 273
 None
 1.09A 2h4jA-2qpqA:
undetectable		 2h4jA-2qpqA:
23.20
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.
2NMZ_B_ROCB401_2
(PROTEASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		3 / 3 ARG A  83
VAL A  77
THR A 293
 None
 0.57A 2nmzA-2qpqA:
undetectable		 2nmzA-2qpqA:
15.61
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.
2NNK_A_ROCA401_2
(PROTEASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		3 / 3 ARG A  83
VAL A  77
THR A 293
 None
 0.66A 2nnkA-2qpqA:
undetectable		 2nnkA-2qpqA:
15.28
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.
2YVL_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 12 THR A  15
ILE A  13
ILE A  12
GLY A 231
LEU A  68
 None
 0.84A 2yvlA-2qpqA:
undetectable		 2yvlA-2qpqA:
24.83
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.
2YVL_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 12 THR A  15
ILE A  13
ILE A  12
GLY A 231
LEU A  68
 None
 0.82A 2yvlB-2qpqA:
undetectable		 2yvlB-2qpqA:
24.83
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.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 12 PHE A  87
LEU A  85
ALA A  55
VAL A  71
THR A  15
 None
 0.99A 3cwkA-2qpqA:
undetectable		 3cwkA-2qpqA:
18.71
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.
3K4V_B_ROCB201_2
(HIV-1 PROTEASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		3 / 3 ARG A  83
VAL A  77
THR A 293
 None
 0.77A 3k4vA-2qpqA:
undetectable		 3k4vA-2qpqA:
15.89
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.
3K4V_D_ROCD201_4
(HIV-1 PROTEASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		3 / 3 ARG A  83
VAL A  77
THR A 293
 None
 0.83A 3k4vD-2qpqA:
undetectable		 3k4vD-2qpqA:
15.61
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.
3NDU_D_ROCD100_3
(PROTEASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		3 / 3 ARG A  83
VAL A  77
THR A 293
 None
 0.84A 3nduD-2qpqA:
undetectable		 3nduD-2qpqA:
15.89
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.
3PWR_A_ROCA401_2
(PROTEASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		3 / 3 ARG A  83
VAL A  77
THR A 293
 None
 0.64A 3pwrA-2qpqA:
undetectable		 3pwrA-2qpqA:
15.61
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.
3TL9_A_ROCA401_2
(PROTEASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		3 / 3 ARG A  83
VAL A  77
THR A 293
 None
 0.75A 3tl9A-2qpqA:
undetectable		 3tl9A-2qpqA:
15.84
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.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 11 ALA A 180
LEU A 169
LEU A 196
ILE A 188
LEU A 210
 None
 1.11A 3tqbA-2qpqA:
1.5		 3tqbA-2qpqA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KLA_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 8 LEU A 199
LEU A 117
LEU A 149
LYS A 113
VAL A 131
 None
 1.47A 4klaA-2qpqA:
undetectable		 4klaA-2qpqA:
22.22
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)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 11 SER A 112
ALA A 123
LEU A 120
ILE A 296
LEU A 298
 None
 1.09A 4kt0A-2qpqA:
undetectable
4kt0J-2qpqA:
undetectable		 4kt0A-2qpqA:
16.95
4kt0J-2qpqA:
6.98
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.
4KY8_A_MTXA603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 12 ALA A 180
LEU A 169
LEU A 196
ILE A 188
LEU A 210
 None
 1.04A 4ky8A-2qpqA:
undetectable		 4ky8A-2qpqA:
19.50
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.
4KY8_B_MTXB603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 12 ALA A 180
LEU A 169
LEU A 196
ILE A 188
LEU A 210
 None
 1.12A 4ky8B-2qpqA:
undetectable		 4ky8B-2qpqA:
19.50
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.
4KY8_C_MTXC603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 12 ALA A 180
LEU A 169
LEU A 196
ILE A 188
LEU A 210
 None
 1.09A 4ky8C-2qpqA:
2.2		 4ky8C-2qpqA:
19.50
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.
4KY8_D_MTXD603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 12 ALA A 180
LEU A 169
LEU A 196
ILE A 188
LEU A 210
 None
 1.10A 4ky8D-2qpqA:
undetectable		 4ky8D-2qpqA:
19.50
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.
4KY8_E_MTXE603_1
(BIFUNCTIONAL
THYMIDYLATE
SYNTHASE-DIHYDROFOLA
TE REDUCTASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 12 ALA A 180
LEU A 169
LEU A 196
ILE A 188
LEU A 210
 None
 1.05A 4ky8E-2qpqA:
undetectable		 4ky8E-2qpqA:
19.50
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.
4L4D_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		4 / 8 THR A 140
THR A 202
VAL A 181
VAL A 102
 CIT  A 302 (-3.9A)
None
None
None
 1.08A 4l4dA-2qpqA:
undetectable		 4l4dA-2qpqA:
22.71
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.
4Q0D_A_MTXA604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 12 ALA A 180
LEU A 169
LEU A 196
ILE A 188
LEU A 210
 None
 1.10A 4q0dA-2qpqA:
undetectable		 4q0dA-2qpqA:
19.50
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.
4Q0D_B_MTXB604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 12 ALA A 180
LEU A 169
LEU A 196
ILE A 188
LEU A 210
 None
 1.10A 4q0dB-2qpqA:
undetectable		 4q0dB-2qpqA:
19.50
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.
4Q0D_E_MTXE604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 12 ALA A 180
LEU A 169
LEU A 196
ILE A 188
LEU A 210
 None
 1.10A 4q0dE-2qpqA:
undetectable		 4q0dE-2qpqA:
19.50
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.
4Y8W_A_STRA604_1
(CYTOCHROME P450
21-HYDROXYLASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 12 VAL A  96
VAL A  99
ILE A  29
GLY A  30
LEU A  37
 None
 1.03A 4y8wA-2qpqA:
undetectable		 4y8wA-2qpqA:
21.40
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.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 12 VAL A  96
VAL A  99
ILE A  29
GLY A  30
LEU A  37
 None
 1.07A 4y8wB-2qpqA:
undetectable		 4y8wB-2qpqA:
21.40
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 12 TYR A 268
GLY A  21
GLY A 267
LEU A 209
GLY A 166
 None
CIT  A 302 (-3.7A)
None
None
None
 1.23A 5i75A-2qpqA:
undetectable		 5i75A-2qpqA:
18.92
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.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		4 / 8 ARG A  27
ILE A 250
GLY A 231
TYR A 101
 None
 0.74A 5nooD-2qpqA:
undetectable		 5nooD-2qpqA:
22.77
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.
5OY0_1_PQN1842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		5 / 10 SER A 112
ALA A 123
LEU A 120
ILE A 296
LEU A 298
 None
 1.05A 5oy01-2qpqA:
undetectable
5oy07-2qpqA:
undetectable		 5oy01-2qpqA:
13.75
5oy07-2qpqA:
6.98
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.
6HD4_B_STIB602_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2qpq PROTEIN BUG27
(Bordetella
pertussis) 		4 / 6 LEU A 173
VAL A 216
PHE A 190
GLY A 166
 None
 1.06A 6hd4B-2qpqA:
undetectable		 6hd4B-2qpqA:
15.04