SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3exs'

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.
2VN0_A_TDZA501_1
(CYTOCHROME P450 2C8)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		5 / 12 ILE A 199
THR A 200
LEU A   8
ASN A   7
VAL A  27
 None
 1.21A 2vn0A-3exsA:
undetectable		 2vn0A-3exsA:
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.
2Y7H_B_SAMB530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		5 / 12 ILE A 199
GLY A 176
GLY A 196
LEU A 158
PHE A 185
 None
5RP  A 501 (-3.7A)
5RP  A 501 (-3.6A)
None
None
 1.01A 2y7hB-3exsA:
undetectable		 2y7hB-3exsA:
17.05
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.
2Y7H_C_SAMC530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		5 / 12 ILE A 199
GLY A 176
GLY A 196
LEU A 158
PHE A 185
 None
5RP  A 501 (-3.7A)
5RP  A 501 (-3.6A)
None
None
 1.01A 2y7hC-3exsA:
undetectable		 2y7hC-3exsA:
17.05
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.
3E00_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		6 / 12 ILE A 199
ALA A 208
ALA A 206
ASN A  29
ALA A 211
ILE A  34
 None
 1.35A 3e00A-3exsA:
undetectable		 3e00A-3exsA:
18.16
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.
3KP6_B_SALB3006_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		4 / 6 ILE A  60
GLU A 113
LYS A 111
ASN A 108
 None
 1.40A 3kp6A-3exsA:
undetectable
3kp6B-3exsA:
undetectable		 3kp6A-3exsA:
23.01
3kp6B-3exsA:
23.01
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.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		5 / 11 LEU A   8
ILE A 194
GLY A 196
ALA A  11
LEU A  12
 None
5RP  A 501 ( 4.6A)
5RP  A 501 (-3.6A)
5RP  A 501 (-3.6A)
None
 1.13A 3n8yA-3exsA:
undetectable		 3n8yA-3exsA:
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.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		5 / 11 VAL A  31
LEU A   8
ILE A 194
GLY A 196
LEU A  12
 None
None
5RP  A 501 ( 4.6A)
5RP  A 501 (-3.6A)
None
 1.13A 3n8yA-3exsA:
undetectable		 3n8yA-3exsA:
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.
3RQW_I_ACHI323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		4 / 8 PHE A 212
ILE A 219
LEU A 177
PHE A 185
 None
 1.02A 3rqwI-3exsA:
undetectable
3rqwJ-3exsA:
undetectable		 3rqwI-3exsA:
22.39
3rqwJ-3exsA:
22.39
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.
3SUF_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		5 / 12 VAL A  44
GLY A  45
ILE A  34
GLY A  37
ALA A  24
 None
 1.00A 3sufD-3exsA:
undetectable		 3sufD-3exsA:
23.87
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.
4DTZ_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		4 / 6 PHE A 212
ALA A 195
PRO A 205
THR A 200
 None
 1.11A 4dtzB-3exsA:
undetectable		 4dtzB-3exsA:
19.69
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.
4EB6_C_VLBC503_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA CHAIN)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		5 / 12 ASP A  32
THR A 174
ILE A  34
VAL A  31
ILE A 199
 None
5RP  A 501 (-3.7A)
None
None
None
 1.42A 4eb6B-3exsA:
undetectable
4eb6C-3exsA:
undetectable		 4eb6B-3exsA:
18.43
4eb6C-3exsA:
19.31
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.
4I13_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		3 / 3 ASP A  64
ARG A 144
THR A  87
 5RP  A 501 ( 4.8A)
None
None
 0.89A 4i13A-3exsA:
undetectable		 4i13A-3exsA:
18.55
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.
4LG1_B_SAMB301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		5 / 12 GLY A  28
LEU A  52
LEU A  55
ALA A 206
GLU A  35
 None
None
None
None
5RP  A 501 ( 4.7A)
 1.13A 4lg1B-3exsA:
undetectable		 4lg1B-3exsA:
20.58
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.
4P3Q_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		4 / 5 ASP A  64
ARG A 197
ARG A 144
THR A  87
 5RP  A 501 ( 4.8A)
5RP  A 501 (-3.4A)
None
None
 1.26A 4p3qA-3exsA:
undetectable		 4p3qA-3exsA:
18.55
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.
4Y4D_A_CFFA411_1
(ENDOTHIAPEPSIN)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		4 / 6 LEU A 182
PHE A 193
ILE A 199
PHE A 212
 None
 1.16A 4y4dA-3exsA:
undetectable		 4y4dA-3exsA:
20.88
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.
5HW8_C_FK5C201_1
(FK506-BINDING
PROTEIN 1)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		5 / 10 ASP A  64
VAL A  33
ILE A  34
LEU A  12
ILE A 114
 5RP  A 501 ( 4.8A)
None
None
None
None
 1.28A 5hw8C-3exsA:
undetectable
5hw8H-3exsA:
undetectable		 5hw8C-3exsA:
17.65
5hw8H-3exsA:
17.65
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.
6B58_A_ACTA608_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		3 / 3 GLY A 198
THR A 200
GLU A 201
 None
 0.48A 6b58A-3exsA:
undetectable		 6b58A-3exsA:
19.02
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.
6CZM_B_HISB402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		5 / 9 VAL A  51
VAL A  44
LEU A  52
GLY A  37
LEU A  12
 None
 1.22A 6czmA-3exsA:
undetectable
6czmB-3exsA:
undetectable		 6czmA-3exsA:
24.25
6czmB-3exsA:
24.25
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.
6CZM_C_HISC402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		5 / 9 VAL A  51
VAL A  44
LEU A  52
GLY A  37
LEU A  12
 None
 1.20A 6czmB-3exsA:
undetectable
6czmC-3exsA:
undetectable		 6czmB-3exsA:
24.25
6czmC-3exsA:
24.25
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.
6CZM_E_HISE402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		5 / 9 VAL A  51
VAL A  44
LEU A  52
GLY A  37
LEU A  12
 None
 1.19A 6czmD-3exsA:
undetectable
6czmE-3exsA:
undetectable		 6czmD-3exsA:
24.25
6czmE-3exsA:
24.25
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.
6CZM_F_HISF402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		5 / 10 VAL A  51
VAL A  44
LEU A  52
GLY A  37
LEU A  12
 None
 1.20A 6czmE-3exsA:
undetectable
6czmF-3exsA:
undetectable		 6czmE-3exsA:
24.25
6czmF-3exsA:
24.25
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.
6D8P_B_ACTB804_0
(UNCHARACTERIZED
PROTEIN)		 3exs RMPD
(HEXULOSE-6-PHOSPHAT
E SYNTHASE)
(Streptococcus
mutans) 		4 / 4 HIS A  14
VAL A  10
LEU A  12
ALA A  23
 None
 1.40A 6d8pB-3exsA:
undetectable		 6d8pB-3exsA:
15.37