SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2col'

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.
1P91_A_SAMA1401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE A)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		5 / 11 GLY A  61
GLY A  59
ILE A 177
PRO A  80
LEU A  85
 None
 1.22A 1p91A-2colA:
undetectable		 1p91A-2colA:
21.87
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.
2DR2_A_TRPA479_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		5 / 11 GLY A 335
GLY A 339
GLN A 336
GLU A 340
GLN A 337
 None
 1.43A 2dr2A-2colA:
undetectable		 2dr2A-2colA:
21.21
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.
2ITZ_A_IREA2021_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		3 / 3 LEU A  38
LEU A 325
MET A 324
 None
 0.74A 2itzA-2colA:
undetectable		 2itzA-2colA:
24.16
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)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		3 / 3 ARG A  15
VAL A  43
THR A  48
 None
 0.67A 2nmzA-2colA:
undetectable		 2nmzA-2colA:
16.31
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.
2NNK_A_ROCA401_2
(PROTEASE)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		3 / 3 ARG A  15
VAL A  43
THR A  48
 None
 0.66A 2nnkA-2colA:
undetectable		 2nnkA-2colA:
15.34
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.
3DCJ_B_THHB401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		4 / 8 LEU A 104
THR A 114
VAL A  78
GLY A 178
 None
 0.76A 3dcjB-2colA:
undetectable		 3dcjB-2colA:
22.55
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.
3EM4_A_DR7A100_2
(PROTEASE)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		5 / 9 ALA A  64
ASP A  99
GLY A  61
LEU A  60
ILE A  76
 None
 1.12A 3em4B-2colA:
undetectable		 3em4B-2colA:
15.38
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.
3EM4_A_DR7A100_2
(PROTEASE)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		5 / 9 ALA A  64
ASP A  99
GLY A  61
LEU A  60
ILE A 177
 None
 1.18A 3em4B-2colA:
undetectable		 3em4B-2colA:
15.38
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.
3K4V_B_ROCB201_2
(HIV-1 PROTEASE)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		3 / 3 ARG A  15
VAL A  43
THR A  48
 None
 0.65A 3k4vA-2colA:
undetectable		 3k4vA-2colA:
15.38
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.
3K4V_D_ROCD201_4
(HIV-1 PROTEASE)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		3 / 3 ARG A  15
VAL A  43
THR A  48
 None
 0.70A 3k4vD-2colA:
undetectable		 3k4vD-2colA:
16.00
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.
3NDU_D_ROCD100_3
(PROTEASE)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		3 / 3 ARG A  15
VAL A  43
THR A  48
 None
 0.67A 3nduD-2colA:
undetectable		 3nduD-2colA:
15.38
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.
3PWR_A_ROCA401_2
(PROTEASE)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		3 / 3 ARG A  15
VAL A  43
THR A  48
 None
 0.62A 3pwrA-2colA:
undetectable		 3pwrA-2colA:
16.00
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.
3TL9_A_ROCA401_2
(PROTEASE)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		3 / 3 ARG A  15
VAL A  43
THR A  48
 None
 0.66A 3tl9A-2colA:
undetectable		 3tl9A-2colA:
15.68
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.
3WSJ_A_MK1A201_1
(PROTEASE)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		5 / 9 LEU A 185
ALA A  64
ASP A  99
VAL A  78
ILE A 177
 None
 1.34A 3wsjA-2colA:
undetectable		 3wsjA-2colA:
13.35
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.
4MMC_A_29JA604_1
(TRANSPORTER)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		4 / 7 ILE A  27
PHE A  40
LEU A 283
THR A  57
 None
 0.96A 4mmcA-2colA:
0.3		 4mmcA-2colA:
23.48
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.
4WNU_B_QDNB602_1
(CYTOCHROME P450 2D6)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		5 / 9 GLU A 321
GLN A 323
PHE A 314
ALA A  13
ALA A  10
 None
 1.39A 4wnuB-2colA:
0.0		 4wnuB-2colA:
20.77
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.
4WQ4_A_ACTA403_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		3 / 3 VAL A 279
LEU A 283
VAL A  30
 None
 0.49A 4wq4A-2colA:
undetectable		 4wq4A-2colA:
24.50
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.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		4 / 8 LEU A 113
GLY A  74
ALA A  73
SER A  67
 None
 0.83A 5f1aA-2colA:
undetectable		 5f1aA-2colA:
19.33
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.
5HW8_G_FK5G201_1
(FK506-BINDING
PROTEIN 1)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		3 / 3 ILE A  76
PRO A  77
ILE A 177
 None
 0.37A 5hw8F-2colA:
undetectable		 5hw8F-2colA:
17.19
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.
5IM2_A_BEZA401_0
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		5 / 12 PHE A  40
MET A 191
VAL A 296
LEU A  38
VAL A 279
 None
None
MG  A 908 (-3.3A)
None
None
 1.14A 5im2A-2colA:
undetectable		 5im2A-2colA:
22.66
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)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		4 / 8 ARG A  41
ILE A  27
PHE A 314
TYR A 342
 None
 0.91A 5nooD-2colA:
undetectable		 5nooD-2colA:
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.
5UHC_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		3 / 3 PHE A 192
ASP A 190
LEU A 277
 None
MG  A 907 ( 2.8A)
None
 0.73A 5uhcC-2colA:
undetectable		 5uhcC-2colA:
16.87
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.
5ZVG_A_SAMA401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		5 / 12 GLY A 143
LYS A  65
SER A  66
ASP A  99
ALA A  96
 None
POP  A 893 (-2.4A)
None
None
None
 0.96A 5zvgA-2colA:
undetectable		 5zvgA-2colA:
21.63
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.
5ZVG_B_SAMB401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		5 / 12 GLY A 143
LYS A  65
SER A  66
ASP A  99
ALA A  96
 None
POP  A 893 (-2.4A)
None
None
None
 0.96A 5zvgB-2colA:
undetectable		 5zvgB-2colA:
21.63
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.
6EXI_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2col BIFUNCTIONAL
HEMOLYSIN-ADENYLATE
CYCLASE
(Bordetella
pertussis) 		3 / 3 LEU A  42
ASN A  11
LEU A  24
 None
 0.64A 6exiD-2colA:
undetectable		 6exiD-2colA:
12.79