SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4jjp'

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.
1HSH_A_MK1A401_1
(HIV-II PROTEASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 12 ILE A  88
GLY A  13
ILE A  22
ILE A  66
ILE A  92
 None
 0.87A 1hshA-4jjpA:
undetectable		 1hshA-4jjpA:
18.67
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.
1HSH_A_MK1A401_2
(HIV-II PROTEASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 9 ILE A  88
GLY A  13
ILE A  22
ILE A  66
ILE A  92
 None
 0.89A 1hshB-4jjpA:
undetectable		 1hshB-4jjpA:
18.67
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.
1HSH_A_MK1A401_2
(HIV-II PROTEASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		6 / 9 ILE A  88
VAL A  83
GLY A  13
ILE A  22
ILE A  61
ILE A  62
 None
 1.27A 1hshB-4jjpA:
undetectable		 1hshB-4jjpA:
18.67
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.
1TW4_A_CHDA130_0
(FATTY ACID-BINDING
PROTEIN)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 12 LEU A   9
ILE A 137
THR A 139
ILE A  92
LEU A  96
 None
 1.07A 1tw4A-4jjpA:
undetectable		 1tw4A-4jjpA:
20.52
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.
1Z9H_A_IMNA379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 12 THR A 214
CYH A 213
SER A 236
TYR A 239
ILE A 240
 None
 1.37A 1z9hA-4jjpA:
2.2		 1z9hA-4jjpA:
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.
1Z9H_B_IMNB381_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 12 THR A 214
CYH A 213
SER A 236
TYR A 239
ILE A 240
 None
 1.36A 1z9hB-4jjpA:
2.1		 1z9hB-4jjpA:
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.
1Z9H_C_IMNC379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 12 THR A 214
CYH A 213
SER A 236
TYR A 239
ILE A 240
 None
 1.37A 1z9hC-4jjpA:
undetectable		 1z9hC-4jjpA:
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.
2G78_A_REAA200_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 12 LEU A  96
ILE A  89
THR A  41
VAL A  83
VAL A  78
 None
 0.98A 2g78A-4jjpA:
undetectable		 2g78A-4jjpA:
20.59
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.
2V32_A_BEZA1222_0
(PEROXIREDOXIN 6)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 8 THR A 139
PRO A 140
VAL A 174
ALA A 135
PRO A 108
 None
 1.48A 2v32A-4jjpA:
undetectable
2v32B-4jjpA:
undetectable		 2v32A-4jjpA:
21.71
2v32B-4jjpA:
21.71
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.
2V32_B_BEZB1220_0
(PEROXIREDOXIN 6)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 8 PRO A 108
THR A 139
PRO A 140
VAL A 174
ALA A 135
 None
 1.44A 2v32A-4jjpA:
undetectable
2v32B-4jjpA:
undetectable		 2v32A-4jjpA:
21.71
2v32B-4jjpA:
21.71
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.
2V41_A_BEZA1222_0
(PEROXIREDOXIN 6.)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 9 THR A 139
PRO A 140
VAL A 174
ALA A 135
PRO A 108
 None
 1.43A 2v41A-4jjpA:
undetectable
2v41B-4jjpA:
undetectable		 2v41A-4jjpA:
21.71
2v41B-4jjpA:
21.71
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.
2V41_B_BEZB1222_0
(PEROXIREDOXIN 6.)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 9 PRO A 108
THR A 139
PRO A 140
VAL A 174
ALA A 135
 None
 1.41A 2v41A-4jjpA:
undetectable
2v41B-4jjpA:
undetectable		 2v41A-4jjpA:
21.71
2v41B-4jjpA:
21.71
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.
2X2I_A_QPSA1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 12 THR A  44
VAL A  51
SER A 112
ALA A  20
GLN A  46
 None
 1.08A 2x2iA-4jjpA:
undetectable		 2x2iA-4jjpA:
12.34
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.
2X2I_B_QPSB1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 10 THR A  44
VAL A  51
SER A 112
ALA A  20
GLN A  46
 None
 0.95A 2x2iB-4jjpA:
undetectable		 2x2iB-4jjpA:
12.34
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.
2X2I_C_QPSC1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 12 THR A  44
VAL A  51
SER A 112
ALA A  20
GLN A  46
 None
 1.10A 2x2iC-4jjpA:
undetectable		 2x2iC-4jjpA:
12.34
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.
2X2I_D_QPSD1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 10 THR A  44
VAL A  51
SER A 112
GLY A  21
GLN A  46
 None
 1.29A 2x2iD-4jjpA:
0.7		 2x2iD-4jjpA:
12.34
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.
3HCN_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		4 / 7 MET A  82
LEU A 118
SER A 216
GLY A  19
 None
 1.12A 3hcnA-4jjpA:
3.9		 3hcnA-4jjpA:
21.83
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.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		4 / 6 LEU A   9
ILE A  22
ALA A  12
THR A  41
 None
 0.82A 3mdrA-4jjpA:
undetectable		 3mdrA-4jjpA:
19.48
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.
3S45_B_478B201_1
(PROTEASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		5 / 9 ILE A  88
GLY A  13
ILE A  22
ILE A  66
ILE A  92
 None
 1.03A 3s45A-4jjpA:
undetectable		 3s45A-4jjpA:
18.67
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_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		4 / 6 CYH A 213
THR A 214
GLY A  21
ASP A  25
 None
 1.24A 3w9tE-4jjpA:
undetectable		 3w9tE-4jjpA:
21.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		6 / 11 ASP A  15
ALA A  20
GLY A  21
MET A  82
VAL A 109
CYH A 213
 None
 1.01A 4c5lA-4jjpA:
28.7		 4c5lA-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5L_A_UEGA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		6 / 11 GLY A  13
ASP A  15
ALA A  20
GLY A  21
VAL A 109
CYH A 213
 None
 0.82A 4c5lA-4jjpA:
28.7		 4c5lA-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5L_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		6 / 9 ASP A  15
ALA A  20
GLY A  21
MET A  82
VAL A 109
CYH A 213
 None
 0.98A 4c5lB-4jjpA:
29.1		 4c5lB-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5L_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		6 / 9 GLY A  13
ASP A  15
ALA A  20
GLY A  21
VAL A 109
CYH A 213
 None
 0.75A 4c5lB-4jjpA:
29.1		 4c5lB-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		6 / 10 ASP A  15
ALA A  20
GLY A  21
MET A  82
VAL A 109
CYH A 213
 None
 1.00A 4c5lC-4jjpA:
28.9		 4c5lC-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		6 / 10 GLY A  13
ASP A  15
ALA A  20
GLY A  21
VAL A 109
CYH A 213
 None
 0.84A 4c5lC-4jjpA:
28.9		 4c5lC-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5L_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		6 / 10 ASP A  15
ALA A  20
GLY A  21
MET A  82
VAL A 109
CYH A 213
 None
 1.00A 4c5lD-4jjpA:
28.7		 4c5lD-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5L_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		6 / 10 GLY A  13
ASP A  15
ALA A  20
GLY A  21
VAL A 109
CYH A 213
 None
 0.84A 4c5lD-4jjpA:
28.7		 4c5lD-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5N_A_PXLA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		4 / 7 ASP A  15
GLY A  21
MET A  82
CYH A 213
 None
 0.91A 4c5nA-4jjpA:
28.7		 4c5nA-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5N_A_PXLA300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		4 / 7 GLY A  13
ASP A  15
GLY A  21
CYH A 213
 None
 0.64A 4c5nA-4jjpA:
28.7		 4c5nA-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5N_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		6 / 10 ASP A  15
ALA A  20
GLY A  21
MET A  82
VAL A 109
CYH A 213
 None
 0.92A 4c5nB-4jjpA:
29.2		 4c5nB-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5N_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		6 / 10 GLY A  13
ASP A  15
ALA A  20
GLY A  21
VAL A 109
CYH A 213
 None
 0.74A 4c5nB-4jjpA:
29.2		 4c5nB-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5N_C_PXLC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		4 / 8 ASP A  15
GLY A  21
MET A  82
VAL A 109
 None
 0.89A 4c5nC-4jjpA:
28.6		 4c5nC-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		6 / 10 ASP A  15
ALA A  20
GLY A  21
MET A  82
VAL A 109
CYH A 213
 None
 1.00A 4c5nD-4jjpA:
29.0		 4c5nD-4jjpA:
38.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		6 / 10 GLY A  13
ASP A  15
ALA A  20
GLY A  21
VAL A 109
CYH A 213
 None
 0.86A 4c5nD-4jjpA:
29.0		 4c5nD-4jjpA:
38.83
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.
4Y03_A_SALA801_1
(PROTEIN POLYBROMO-1)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		4 / 7 ILE A 137
LEU A 215
ALA A 232
ILE A 229
 None
 0.76A 4y03A-4jjpA:
undetectable		 4y03A-4jjpA:
19.22
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.
5JHD_J_EDTJ301_0
(TCRBETA CHAIN)		 4jjp PHOSPHOMETHYLPYRIMID
INE KINASE
(Clostridioides
difficile) 		4 / 5 LYS A 237
GLU A 201
GLY A 212
SER A 216
 None
 1.20A 5jhdJ-4jjpA:
undetectable		 5jhdJ-4jjpA:
21.05