SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1pto'

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.
1HTT_C_HISC450_0
(HISTIDYL-TRNA
SYNTHETASE)		 1pto PERTUSSIS TOXIN
(Bordetella
pertussis) 		5 / 12 THR C  49
TYR C  55
TYR C  62
GLY C  69
ALA C  66
 None
 0.91A 1httC-1ptoC:
undetectable		 1httC-1ptoC:
17.97
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.
1XIU_B_9CRB202_1
(RXR-LIKE PROTEIN)		 1pto PERTUSSIS TOXIN
(SUBUNIT S5)
(Bordetella
pertussis) 		5 / 12 ALA F  63
ALA F  60
ALA F  65
VAL F  38
LEU F  86
 None
 0.96A 1xiuB-1ptoF:
undetectable		 1xiuB-1ptoF:
23.00
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.
1XIU_B_9CRB202_1
(RXR-LIKE PROTEIN)		 1pto PERTUSSIS TOXIN
(SUBUNIT S5)
(Bordetella
pertussis) 		5 / 12 ILE F  70
ALA F  60
LEU F  15
ALA F  65
LEU F  86
 None
 0.96A 1xiuB-1ptoF:
undetectable		 1xiuB-1ptoF:
23.00
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.
1XLS_A_9CRA801_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 1pto PERTUSSIS TOXIN
(SUBUNIT S5)
(Bordetella
pertussis) 		5 / 12 ALA F  63
ALA F  60
ALA F  65
VAL F  38
LEU F  86
 None
 0.95A 1xlsA-1ptoF:
undetectable		 1xlsA-1ptoF:
18.70
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.
1XLS_B_9CRB802_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 1pto PERTUSSIS TOXIN
(SUBUNIT S5)
(Bordetella
pertussis) 		5 / 12 ALA F  63
ALA F  60
ALA F  65
VAL F  38
LEU F  86
 None
 0.95A 1xlsB-1ptoF:
undetectable		 1xlsB-1ptoF:
18.70
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.
1XLS_C_9CRC803_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 1pto PERTUSSIS TOXIN
(SUBUNIT S5)
(Bordetella
pertussis) 		5 / 12 ALA F  63
ALA F  60
ALA F  65
VAL F  38
LEU F  86
 None
 0.94A 1xlsC-1ptoF:
undetectable		 1xlsC-1ptoF:
18.70
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.
1XLS_D_9CRD804_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 1pto PERTUSSIS TOXIN
(SUBUNIT S5)
(Bordetella
pertussis) 		5 / 12 ALA F  63
ALA F  60
ALA F  65
VAL F  38
LEU F  86
 None
 0.95A 1xlsD-1ptoF:
undetectable		 1xlsD-1ptoF:
18.70
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.
2GJ5_A_VD3A164_1
(BETA-LACTOGLOBULIN)		 1pto PERTUSSIS TOXIN
PERTUSSIS TOXIN
(SUBUNIT S5)
(Bordetella
pertussis) 		4 / 5 ASP F  54
LEU F  57
MET B 152
ARG B 148
 None
 1.32A 2gj5A-1ptoF:
0.9		 2gj5A-1ptoF:
19.25
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.
2RLC_A_GLYA333_0
(CHOLOYLGLYCINE
HYDROLASE)		 1pto PERTUSSIS TOXIN
(Bordetella
pertussis) 		3 / 3 ASN B 116
ASN B  25
ARG B  22
 None
 0.80A 2rlcA-1ptoB:
undetectable		 2rlcA-1ptoB:
21.22
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.
4AT0_A_ACTA1490_0
(3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E)		 1pto PERTUSSIS TOXIN
(Bordetella
pertussis) 		3 / 3 GLU C  84
TYR C  55
SER C  53
 None
 0.98A 4at0A-1ptoC:
undetectable		 4at0A-1ptoC:
17.59
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.
4B3Q_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 1pto PERTUSSIS TOXIN
(Bordetella
pertussis) 		4 / 7 LEU B 119
TYR B 157
TYR B 154
TYR B 146
 None
 1.11A 4b3qA-1ptoB:
undetectable		 4b3qA-1ptoB:
15.44
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.
4B3Q_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 1pto PERTUSSIS TOXIN
(Bordetella
pertussis) 		4 / 7 LEU C 119
TYR C 157
TYR C 154
TYR C 146
 None
 0.99A 4b3qA-1ptoC:
undetectable		 4b3qA-1ptoC:
16.79
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.
4FGK_A_0TXA302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 1pto PERTUSSIS TOXIN
(Bordetella
pertussis) 		4 / 7 GLY B  65
GLY B  64
TYR B  62
GLU B  66
 None
 0.96A 4fgkB-1ptoB:
undetectable		 4fgkB-1ptoB:
20.80
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.
4JTQ_A_FLPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 1pto PERTUSSIS TOXIN
(Bordetella
pertussis) 		5 / 10 VAL C 106
VAL C 130
ILE C 131
LEU C 153
LEU C 186
 None
 1.47A 4jtqA-1ptoC:
undetectable		 4jtqA-1ptoC:
21.47
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.
4LNW_A_T3A501_2
(THYROID HORMONE
RECEPTOR ALPHA)		 1pto PERTUSSIS TOXIN
(Bordetella
pertussis) 		3 / 3 ILE B 189
MET B 145
ARG B 148
 None
 0.83A 4lnwA-1ptoB:
undetectable		 4lnwA-1ptoB:
18.18
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.
4LNX_A_T3A502_2
(THYROID HORMONE
RECEPTOR ALPHA)		 1pto PERTUSSIS TOXIN
(Bordetella
pertussis) 		3 / 3 ILE B 189
MET B 145
ARG B 148
 None
 0.83A 4lnxA-1ptoB:
undetectable		 4lnxA-1ptoB:
18.18
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.
4MBS_A_MRVA1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		 1pto PERTUSSIS TOXIN
(Bordetella
pertussis) 		4 / 7 GLN C  16
THR C  14
THR C  27
THR C  61
 None
 0.87A 4mbsA-1ptoC:
undetectable		 4mbsA-1ptoC:
20.10
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.
5E3I_A_HISA502_0
(HISTIDINE--TRNA
LIGASE)		 1pto PERTUSSIS TOXIN
(Bordetella
pertussis) 		5 / 12 THR C  49
TYR C  55
TYR C  62
GLY C  69
ALA C  66
 None
 0.82A 5e3iA-1ptoC:
undetectable		 5e3iA-1ptoC:
19.51
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.
5E3I_B_HISB502_0
(HISTIDINE--TRNA
LIGASE)		 1pto PERTUSSIS TOXIN
(Bordetella
pertussis) 		5 / 11 THR C  49
TYR C  55
TYR C  62
GLY C  69
ALA C  66
 None
 0.82A 5e3iB-1ptoC:
undetectable		 5e3iB-1ptoC:
19.51
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.
5NY7_A_NCAA303_0
(AMIDASE)		 1pto PERTUSSIS TOXIN
(Bordetella
pertussis) 		4 / 6 ARG C 141
GLY C 140
GLU C 170
SER C 168
 None
 0.97A 5ny7A-1ptoC:
undetectable		 5ny7A-1ptoC:
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.
5OTR_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 1pto PERTUSSIS TOXIN
(Bordetella
pertussis) 		4 / 5 TYR B 174
VAL B   6
ASP B 178
ALA B 179
 None
 1.11A 5otrA-1ptoB:
undetectable		 5otrA-1ptoB:
18.82
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.
5OTR_A_ACTA402_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 1pto PERTUSSIS TOXIN
(Bordetella
pertussis) 		4 / 5 TYR C 174
VAL C   6
ASP C 178
ALA C 179
 None
 1.13A 5otrA-1ptoC:
undetectable		 5otrA-1ptoC:
18.90
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.
5TE8_B_08JB602_1
(CYTOCHROME P450 3A4)		 1pto PERTUSSIS TOXIN
(SUBUNIT S5)
(Bordetella
pertussis) 		4 / 8 ALA F  16
ILE F  61
ALA F  60
LEU F  57
 None
 0.80A 5te8B-1ptoF:
undetectable		 5te8B-1ptoF:
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.
6A60_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 1pto PERTUSSIS TOXIN
(SUBUNIT S5)
(Bordetella
pertussis) 		5 / 12 ILE F  70
ALA F  60
LEU F  15
ALA F  65
LEU F  86
 None
 0.99A 6a60D-1ptoF:
undetectable		 6a60D-1ptoF:
22.11
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.
6FTP_B_DM2B501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		 1pto PERTUSSIS TOXIN
(SUBUNIT S5)
(Bordetella
pertussis) 		5 / 9 LEU F  42
SER F  43
PHE F  26
GLU F  25
LEU F  17
 None
 1.48A 6ftpA-1ptoF:
0.0
6ftpB-1ptoF:
undetectable		 6ftpA-1ptoF:
20.62
6ftpB-1ptoF:
17.35