SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3q2k'

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.
1GSE_B_EAAB224_1
(GLUTATHIONE
TRANSFERASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 GLY A 112
LEU A 329
VAL A 128
LEU A 126
ALA A  89
 None
 1.07A 1gseB-3q2kA:
undetectable		 1gseB-3q2kA:
21.14
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.
2Q83_A_ADNA1_1
(YTAA PROTEIN)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		4 / 7 ILE A 271
ILE A 145
LEU A 199
ILE A 254
 None
 0.89A 2q83A-3q2kA:
undetectable		 2q83A-3q2kA:
22.60
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.
2WX2_B_TPFB1460_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		4 / 8 ALA A  48
ALA A  52
THR A  56
LEU A  38
 NAI  A 500 ( 3.9A)
None
None
None
 1.02A 2wx2B-3q2kA:
undetectable		 2wx2B-3q2kA:
22.82
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.
3B0W_A_DGXA1_2
(NUCLEAR RECEPTOR
ROR-GAMMA)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		3 / 3 TRP A 178
VAL A 193
ARG A 133
 None
 0.82A 3b0wA-3q2kA:
undetectable		 3b0wA-3q2kA:
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.
3CE6_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
 None
NAI  A 500 (-2.7A)
None
None
None
 1.39A 3ce6A-3q2kA:
4.6		 3ce6A-3q2kA:
21.49
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.
3CE6_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
 None
NAI  A 500 (-2.7A)
None
None
None
 1.40A 3ce6C-3q2kA:
5.9		 3ce6C-3q2kA:
21.49
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.
3DH0_B_SAMB300_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 LEU A 126
GLY A 325
GLY A 322
PHE A 127
LEU A 332
 None
 1.05A 3dh0B-3q2kA:
5.2		 3dh0B-3q2kA:
17.96
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.
3KHM_A_TPFA501_1
(STEROL 14
ALPHA-DEMETHYLASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		4 / 8 ALA A  48
ALA A  52
THR A  56
LEU A  38
 NAI  A 500 ( 3.9A)
None
None
None
 0.89A 3khmA-3q2kA:
undetectable		 3khmA-3q2kA:
22.83
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.
3L4D_A_TPFA490_1
(STEROL 14-ALPHA
DEMETHYLASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		4 / 8 ALA A  48
ALA A  52
THR A  56
LEU A  38
 NAI  A 500 ( 3.9A)
None
None
None
 0.96A 3l4dA-3q2kA:
undetectable		 3l4dA-3q2kA:
21.38
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.
3Q87_B_SAMB300_0
(N6 ADENINE SPECIFIC
DNA METHYLASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 GLY A  17
ILE A  21
ASP A  43
ASN A  45
LEU A  64
 NAI  A 500 (-3.6A)
NAI  A 500 (-3.6A)
NAI  A 500 (-2.7A)
None
None
 1.05A 3q87B-3q2kA:
5.6		 3q87B-3q2kA:
20.06
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.
3R9S_C_BEZC264_0
(CARNITINYL-COA
DEHYDRATASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		4 / 6 ALA A 225
ILE A 237
LEU A 227
ALA A 334
 None
 0.79A 3r9sC-3q2kA:
undetectable		 3r9sC-3q2kA:
22.46
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.
3TI1_A_B49A299_1
(CYCLIN-DEPENDENT
KINASE 2)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 9 ILE A 237
ALA A 189
PHE A 185
LEU A 332
ASP A 194
 None
 1.27A 3ti1A-3q2kA:
undetectable		 3ti1A-3q2kA:
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.
4A6E_A_SAMA1349_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 GLY A 259
GLY A 151
ILE A 254
ALA A 277
TRP A 274
 None
 1.15A 4a6eA-3q2kA:
4.6		 4a6eA-3q2kA:
22.81
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.
4KIC_B_SAMB401_1
(METHYLTRANSFERASE
MPPJ)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		3 / 3 ARG A 114
ASP A 120
ASP A 321
 None
 0.91A 4kicB-3q2kA:
undetectable		 4kicB-3q2kA:
24.03
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.
4LVC_A_ADNA501_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
 None
NAI  A 500 (-2.7A)
None
None
None
 1.36A 4lvcA-3q2kA:
4.8		 4lvcA-3q2kA:
22.04
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.
4OLT_A_GCSA306_1
(CHITOSANASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		3 / 3 SER A  82
ASP A 181
GLN A 188
 NAI  A 500 (-2.7A)
None
HP7  A 550 (-3.9A)
 0.65A 4oltA-3q2kA:
undetectable
4oltB-3q2kA:
undetectable		 4oltA-3q2kA:
21.74
4oltB-3q2kA:
21.74
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.
4QWP_B_GCSB304_1
(CHITOSANASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		3 / 3 GLN A 188
SER A  82
ASP A 181
 HP7  A 550 (-3.9A)
NAI  A 500 (-2.7A)
None
 0.64A 4qwpA-3q2kA:
undetectable
4qwpB-3q2kA:
undetectable		 4qwpA-3q2kA:
21.74
4qwpB-3q2kA:
21.74
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.
5E4D_B_BEZB201_0
(HYDROXYNITRILE LYASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 11 VAL A 268
VAL A 263
ILE A 145
ILE A 254
LEU A 195
 None
 0.90A 5e4dB-3q2kA:
undetectable		 5e4dB-3q2kA:
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.
5I6X_A_8PRA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 10 TYR A 336
ALA A 225
GLY A 183
PHE A 185
VAL A 239
 None
 1.19A 5i6xA-3q2kA:
undetectable		 5i6xA-3q2kA:
22.06
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)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 ILE A 335
ALA A 334
SER A 328
LEU A 347
GLY A 223
 None
 1.05A 5i75A-3q2kA:
undetectable		 5i75A-3q2kA:
22.06
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.
5M5K_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
 None
NAI  A 500 (-2.7A)
None
None
None
 1.39A 5m5kC-3q2kA:
5.2		 5m5kC-3q2kA:
22.04
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.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
 None
NAI  A 500 (-2.7A)
None
None
None
 1.34A 5m66A-3q2kA:
4.9		 5m66A-3q2kA:
22.04
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.
5M66_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
 None
NAI  A 500 (-2.7A)
None
None
None
 1.35A 5m66B-3q2kA:
5.1		 5m66B-3q2kA:
22.04
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.
5UUN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		3 / 3 THR A 107
MET A 105
HIS A  85
 None
None
NAI  A 500 (-3.9A)
 0.59A 5uunA-3q2kA:
undetectable		 5uunA-3q2kA:
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.
5V96_A_ADNA502_1
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		5 / 12 LEU A  49
ASP A  43
LEU A  15
GLY A  14
MET A  67
 None
NAI  A 500 (-2.7A)
None
None
None
 1.38A 5v96A-3q2kA:
4.9		 5v96A-3q2kA:
23.53
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.
5Z12_B_9CRB501_2
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		3 / 3 GLN A  50
ILE A  21
HIS A  25
 None
NAI  A 500 (-3.6A)
None
 0.67A 5z12B-3q2kA:
undetectable		 5z12B-3q2kA:
12.99
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.
6IFT_A_SAMA301_1
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A)		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		4 / 5 GLN A 139
GLU A 319
ASP A 306
ASN A 132
 None
None
None
HP7  A 550 ( 3.9A)
 1.36A 6iftA-3q2kA:
2.6		 6iftA-3q2kA:
20.64
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.
6N7F_A_RBFA502_0
(PUTATIVE GLUTATHIONE
REDUCTASE (GR))		 3q2k OXIDOREDUCTASE
(Bordetella
pertussis) 		4 / 7 GLY A 265
HIS A 191
ASN A 132
GLY A 298
 None
HP7  A 550 ( 3.7A)
HP7  A 550 ( 3.9A)
HP7  A 550 ( 4.4A)
 0.95A 6n7fA-3q2kA:
undetectable		 6n7fA-3q2kA:
13.70