SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4mde'

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.
1OHR_A_1UNA201_2
(ASPARTYLPROTEASE)		 4mde METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 9 VAL A 105
ILE A 141
GLY A 143
VAL A  12
ILE A  14
 None
 0.97A 1ohrB-4mdeA:
undetectable		 1ohrB-4mdeA:
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.
1SDT_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 4mde METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 VAL A 105
ILE A 141
GLY A 143
VAL A  12
ILE A  14
 None
 1.01A 1sdtB-4mdeA:
undetectable		 1sdtB-4mdeA:
19.16
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.
2BPX_B_MK1B902_2
(HIV-1 PROTEASE)		 4mde METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 VAL A 105
ILE A 141
GLY A 143
VAL A  12
ILE A  14
 None
 0.82A 2bpxB-4mdeA:
undetectable		 2bpxB-4mdeA:
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.
2JJ8_C_AZZC1211_1
(DEOXYNUCLEOSIDE
KINASE)		 4mde METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ILE A   5
VAL A 164
LEU A 155
PHE A 106
ALA A  25
 None
 1.34A 2jj8C-4mdeA:
8.2		 2jj8C-4mdeA:
25.32
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.
3JB2_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 4mde METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ASN A 107
GLY A  18
VAL A 125
ILE A 130
GLU A 127
 None
GDP  A1001 (-3.8A)
None
None
None
 1.38A 3jb2A-4mdeA:
2.3		 3jb2A-4mdeA:
11.06
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.
3LZV_A_017A200_2
(HIV-1 PROTEASE)		 4mde METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 11 VAL A 105
ILE A 141
GLY A 143
VAL A  12
ILE A  14
 None
 0.96A 3lzvB-4mdeA:
undetectable		 3lzvB-4mdeA:
19.88
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.
3NU6_B_478B401_1
(PROTEASE)		 4mde METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 10 VAL A 105
ILE A 141
GLY A 143
VAL A  12
ILE A  14
 None
 0.94A 3nu6A-4mdeA:
undetectable		 3nu6A-4mdeA:
19.16
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.
3NUJ_B_478B401_1
(PROTEASE)		 4mde METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 10 VAL A 105
ILE A 141
GLY A 143
VAL A  12
ILE A  14
 None
 1.03A 3nujA-4mdeA:
undetectable		 3nujA-4mdeA:
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.
3OXV_B_478B200_2
(HIV-1 PROTEASE)		 4mde METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 10 VAL A 105
ILE A 141
GLY A 143
VAL A  12
ILE A  14
 None
 1.01A 3oxvB-4mdeA:
undetectable		 3oxvB-4mdeA:
20.12
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.
3OXV_C_478C200_2
(HIV-1 PROTEASE)		 4mde METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 11 VAL A 105
ILE A 141
GLY A 143
VAL A  12
ILE A  14
 None
 0.97A 3oxvD-4mdeA:
undetectable		 3oxvD-4mdeA:
20.12
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.
4DQF_B_017B101_1
(ASPARTYL PROTEASE)		 4mde METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 VAL A 105
ILE A 141
GLY A 143
VAL A  12
ILE A  14
 None
 0.97A 4dqfA-4mdeA:
undetectable		 4dqfA-4mdeA:
20.00
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.
4GC9_A_SAMA401_0
(DIMETHYLADENOSINE
TRANSFERASE 1,
MITOCHONDRIAL)		 4mde METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 12 ILE A 154
ASN A 107
LEU A 108
PRO A 109
VAL A 112
 None
 0.77A 4gc9A-4mdeA:
undetectable		 4gc9A-4mdeA:
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.
6DJ2_B_AB1B201_0
(HIV-1 PROTEASE)		 4mde METALLOPHOSPHOESTERA
SE
(Ruminiclostridiu
m
thermocellum) 		5 / 10 VAL A 105
ILE A 141
GLY A 143
VAL A  12
ILE A  14
 None
 1.02A 6dj2A-4mdeA:
undetectable		 6dj2A-4mdeA:
18.93