SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ihk'

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.
1LII_A_ADNA699_1
(ADENOSINE KINASE)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		5 / 12 LEU A  80
GLY A  10
GLY A  96
THR A  76
LEU A   6
 None
PO4  A 226 ( 4.0A)
None
None
None
 1.00A 1liiA-3ihkA:
undetectable		 1liiA-3ihkA:
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.
2IYF_A_ERYA1400_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		5 / 11 ASN A 108
PHE A 135
TYR A 200
ALA A 157
ASP A 128
 None
 1.48A 2iyfA-3ihkA:
undetectable		 2iyfA-3ihkA:
19.71
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.
2PIW_A_T3A932_1
(ANDROGEN RECEPTOR)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		5 / 6 LEU A   6
VAL A   4
LYS A   3
ILE A  83
ILE A  25
 None
 1.50A 2piwA-3ihkA:
undetectable		 2piwA-3ihkA:
20.28
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		5 / 12 GLY A  24
GLY A  28
LEU A   6
PHE A  22
ALA A  42
 None
 1.09A 3kkzA-3ihkA:
undetectable		 3kkzA-3ihkA:
20.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		4 / 7 TYR A 169
LEU A 171
SER A 184
ASN A 185
 None
 0.79A 3lm8A-3ihkA:
11.4
3lm8C-3ihkA:
21.2		 3lm8A-3ihkA:
34.35
3lm8C-3ihkA:
34.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LM8_B_VIBB223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		4 / 7 TYR A 169
LEU A 171
SER A 184
ASN A 185
 None
 0.73A 3lm8B-3ihkA:
21.4
3lm8D-3ihkA:
10.8		 3lm8B-3ihkA:
34.35
3lm8D-3ihkA:
34.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LM8_C_VIBC223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		4 / 8 TYR A 169
LEU A 171
SER A 184
ASN A 185
 None
 0.77A 3lm8A-3ihkA:
11.4
3lm8C-3ihkA:
21.1		 3lm8A-3ihkA:
34.35
3lm8C-3ihkA:
34.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LM8_D_VIBD223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		4 / 8 TYR A 169
LEU A 171
SER A 184
ASN A 185
 None
 0.71A 3lm8B-3ihkA:
21.4
3lm8D-3ihkA:
10.8		 3lm8B-3ihkA:
34.35
3lm8D-3ihkA:
34.35
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.
4EIX_A_NIMA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		4 / 4 LEU A  41
ALA A  79
ILE A  83
LYS A  63
 None
 1.25A 4eixA-3ihkA:
undetectable		 4eixA-3ihkA:
17.81
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.
4XEY_A_1N1A601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		3 / 3 MET A 105
ASP A 128
PHE A  95
 None
 1.06A 4xeyA-3ihkA:
undetectable		 4xeyA-3ihkA:
20.54
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.
4XEY_B_1N1B601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		3 / 3 MET A 105
ASP A 128
PHE A  95
 None
 1.01A 4xeyB-3ihkA:
undetectable		 4xeyB-3ihkA:
20.54
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.
5DZK_1_BEZ1801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		3 / 3 LEU A 132
PHE A  98
ILE A 204
 None
 0.74A 5dzk1-3ihkA:
undetectable
5dzkF-3ihkA:
undetectable
5dzkM-3ihkA:
undetectable		 5dzk1-3ihkA:
6.06
5dzkF-3ihkA:
20.00
5dzkM-3ihkA:
23.04
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.
5DZK_4_BEZ4801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		4 / 5 LEU A 132
PHE A  98
ILE A 204
ILE A 109
 None
 1.06A 5dzk4-3ihkA:
undetectable
5dzkg-3ihkA:
undetectable
5dzkm-3ihkA:
undetectable
5dzkn-3ihkA:
undetectable		 5dzk4-3ihkA:
6.06
5dzkg-3ihkA:
20.00
5dzkm-3ihkA:
23.04
5dzkn-3ihkA:
23.04
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.
6AP6_A_TLFA300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		5 / 12 VAL A 133
PHE A 194
ILE A 164
PHE A 187
PHE A 154
 None
 1.32A 6ap6A-3ihkA:
undetectable		 6ap6A-3ihkA:
23.91
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.
6AP6_B_TLFB300_0
(PROBABLE
STRIGOLACTONE
ESTERASE DAD2)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		5 / 12 VAL A 133
PHE A 194
ILE A 164
PHE A 187
PHE A 154
 None
 1.33A 6ap6B-3ihkA:
undetectable		 6ap6B-3ihkA:
23.91
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.
6CB4_A_BEZA501_0
(CANAVALIN)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		4 / 8 ASN A  35
LEU A  32
LEU A  12
ARG A  17
 None
 0.77A 6cb4A-3ihkA:
undetectable		 6cb4A-3ihkA:
19.37
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.
6GNR_A_6J3A201_0
(TRANSTHYRETIN)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		4 / 4 LYS A  60
LEU A  33
ALA A  61
LEU A  32
 None
 1.46A 6gnrA-3ihkA:
undetectable		 6gnrA-3ihkA:
20.93
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.
6GNR_B_6J3B201_0
(TRANSTHYRETIN)		 3ihk THIAMIN
PYROPHOSPHOKINASE
(Streptococcus
mutans) 		4 / 4 LYS A  60
LEU A  33
ALA A  61
LEU A  32
 None
 1.47A 6gnrB-3ihkA:
undetectable		 6gnrB-3ihkA:
20.93