SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4thi'

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.
1CTR_A_TFPA153_1
(CALMODULIN)		 4thi PROTEIN (THIAMINASE
I)
(Bacillus
subtilis) 		5 / 9 ILE A 197
MET A 168
GLU A 171
ALA A 172
VAL A 196
 None
 1.27A 1ctrA-4thiA:
undetectable		 1ctrA-4thiA:
17.26
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.
1DZ4_A_CAMA502_0
(CYTOCHROME P450-CAM)		 4thi PROTEIN (THIAMINASE
I)
(Bacillus
subtilis) 		4 / 6 LEU A 303
VAL A 299
VAL A  62
ASP A 272
 None
None
None
PYD  A 371 (-4.3A)
 1.15A 1dz4A-4thiA:
undetectable		 1dz4A-4thiA:
21.41
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.
1LQT_A_ACTA1872_0
(FPRA)		 4thi PROTEIN (THIAMINASE
I)
(Bacillus
subtilis) 		4 / 5 SER A 259
ALA A 262
ASP A 130
GLU A 134
 None
 1.29A 1lqtA-4thiA:
undetectable
1lqtB-4thiA:
undetectable		 1lqtA-4thiA:
22.93
1lqtB-4thiA:
22.93
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.
1LQU_A_ACTA1429_0
(FPRA)		 4thi PROTEIN (THIAMINASE
I)
(Bacillus
subtilis) 		4 / 5 SER A 259
ALA A 262
ASP A 130
GLU A 134
 None
 1.29A 1lquA-4thiA:
undetectable
1lquB-4thiA:
undetectable		 1lquA-4thiA:
22.93
1lquB-4thiA:
22.93
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.
2KAW_A_SUZA91_1
(SEGMENT POLARITY
PROTEIN DISHEVELLED
HOMOLOG DVL-1)		 4thi PROTEIN (THIAMINASE
I)
(Bacillus
subtilis) 		5 / 11 LEU A 155
GLY A 154
ILE A 139
ILE A 126
LEU A 117
 None
 0.65A 2kawA-4thiA:
undetectable		 2kawA-4thiA:
12.99
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.
2PGZ_D_COCD401_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 4thi PROTEIN (THIAMINASE
I)
(Bacillus
subtilis) 		4 / 6 TYR A 183
TYR A 180
GLN A 264
ILE A 266
 None
 1.23A 2pgzD-4thiA:
undetectable
2pgzE-4thiA:
undetectable		 2pgzD-4thiA:
21.04
2pgzE-4thiA:
21.04
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 4thi PROTEIN (THIAMINASE
I)
(Bacillus
subtilis) 		4 / 7 TYR A 239
TYR A 270
ASP A  64
TYR A  16
 PYD  A 371 (-4.2A)
PYD  A 371 ( 3.7A)
None
None
 1.42A 2pncA-4thiA:
undetectable		 2pncA-4thiA:
19.39
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.
4A97_E_ZPCE1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4thi PROTEIN (THIAMINASE
I)
(Bacillus
subtilis) 		4 / 6 GLU A  43
PHE A  44
HIS A 282
VAL A 276
 None
None
SO4  A 372 (-3.7A)
None
 1.17A 4a97E-4thiA:
undetectable		 4a97E-4thiA:
22.06
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.
4G3R_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		 4thi PROTEIN (THIAMINASE
I)
(Bacillus
subtilis) 		4 / 6 LEU A 303
VAL A 299
VAL A  62
ASP A 272
 None
None
None
PYD  A 371 (-4.3A)
 1.11A 4g3rB-4thiA:
undetectable		 4g3rB-4thiA:
22.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KYS_A_VIBA501_1
(THIAMINE
PYRIDINYLASE I)		 4thi PROTEIN (THIAMINASE
I)
(Bacillus
subtilis) 		9 / 10 TYR A  16
TYR A  50
ASP A  64
THR A 163
TYR A 239
GLU A 241
TYR A 270
ASP A 272
LEU A 315
 None
None
None
None
PYD  A 371 (-4.2A)
PYD  A 371 ( 4.3A)
PYD  A 371 ( 3.7A)
PYD  A 371 (-4.3A)
None
 0.70A 4kysA-4thiA:
55.3		 4kysA-4thiA:
48.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KYS_B_VIBB501_1
(THIAMINE
PYRIDINYLASE I)		 4thi PROTEIN (THIAMINASE
I)
(Bacillus
subtilis) 		10 / 11 TYR A  16
TYR A  50
ASP A  64
ILE A 111
THR A 163
TYR A 239
GLU A 241
TYR A 270
ASP A 272
LEU A 315
 None
None
None
None
None
PYD  A 371 (-4.2A)
PYD  A 371 ( 4.3A)
PYD  A 371 ( 3.7A)
PYD  A 371 (-4.3A)
None
 0.70A 4kysB-4thiA:
55.2		 4kysB-4thiA:
48.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KYS_B_VIBB501_1
(THIAMINE
PYRIDINYLASE I)		 4thi PROTEIN (THIAMINASE
I)
(Bacillus
subtilis) 		8 / 11 TYR A  16
TYR A  50
ASP A  64
ILE A 111
THR A 164
TYR A 270
ASP A 272
LEU A 315
 None
None
None
None
None
PYD  A 371 ( 3.7A)
PYD  A 371 (-4.3A)
None
 1.41A 4kysB-4thiA:
55.2		 4kysB-4thiA:
48.19