SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1sqi'

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.
1EQB_A_FFOA1293_2
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Rattus
norvegicus) 		3 / 3 SER A 235
GLU A 234
GLU A 233
 None
 0.61A 1eqbD-1sqiA:
undetectable		 1eqbD-1sqiA:
21.21
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.
1EQB_C_FFOC3293_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Rattus
norvegicus) 		3 / 3 SER A 235
GLU A 234
GLU A 233
 None
 0.62A 1eqbB-1sqiA:
undetectable		 1eqbB-1sqiA:
21.21
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.
2BM9_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Rattus
norvegicus) 		5 / 12 LEU A  50
SER A  54
ASP A  91
ALA A  29
ALA A  32
 None
 1.07A 2bm9A-1sqiA:
undetectable		 2bm9A-1sqiA:
20.35
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.
2IYF_B_ERYB1399_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		 1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Rattus
norvegicus) 		5 / 12 VAL A  70
PHE A  24
LEU A 170
TYR A 165
ALA A  29
 None
 1.28A 2iyfB-1sqiA:
undetectable		 2iyfB-1sqiA:
22.87
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.
2XZ5_B_ACHB1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Rattus
norvegicus) 		4 / 8 GLN A 357
GLN A 334
ILE A 351
SER A 211
 None
869  A1501 ( 3.8A)
None
None
 1.03A 2xz5B-1sqiA:
undetectable
2xz5E-1sqiA:
undetectable		 2xz5B-1sqiA:
21.43
2xz5E-1sqiA:
21.43
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.
3ARR_A_PNXA607_1
(CHITINASE A)		 1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Rattus
norvegicus) 		4 / 7 VAL A  70
SER A  21
HIS A  20
LEU A 157
 None
 1.01A 3arrA-1sqiA:
undetectable		 3arrA-1sqiA:
22.41
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.
3DEU_A_SALA305_1
(TRANSCRIPTIONAL
REGULATOR SLYA)		 1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Rattus
norvegicus) 		4 / 7 THR A 277
ILE A 322
ILE A 335
THR A 271
 None
 0.69A 3deuA-1sqiA:
undetectable		 3deuA-1sqiA:
17.56
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.
3PEO_F_CU9F301_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Rattus
norvegicus) 		4 / 6 GLN A 357
GLN A 334
ILE A 351
SER A 211
 None
869  A1501 ( 3.8A)
None
None
 1.02A 3peoG-1sqiA:
undetectable		 3peoG-1sqiA:
21.07
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)		 1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Rattus
norvegicus) 		4 / 5 LEU A 323
ARG A 282
ILE A 322
ILE A 278
 None
 1.07A 5dzk4-1sqiA:
undetectable
5dzkg-1sqiA:
undetectable
5dzkm-1sqiA:
undetectable
5dzkn-1sqiA:
undetectable		 5dzk4-1sqiA:
0.67
5dzkg-1sqiA:
19.46
5dzkm-1sqiA:
18.18
5dzkn-1sqiA:
18.18
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_V_BEZV801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Rattus
norvegicus) 		4 / 4 ILE A 322
ILE A 278
ARG A 282
LEU A 323
 None
 1.09A 5dzkh-1sqiA:
undetectable
5dzkn-1sqiA:
undetectable
5dzkv-1sqiA:
undetectable		 5dzkh-1sqiA:
18.18
5dzkn-1sqiA:
18.18
5dzkv-1sqiA:
0.67
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.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		 1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Rattus
norvegicus) 		5 / 12 PHE A  19
HIS A 144
VAL A  93
TYR A 255
GLY A 186
 None
 1.39A 5i8fA-1sqiA:
0.0		 5i8fA-1sqiA:
19.79
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.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		 1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Rattus
norvegicus) 		5 / 12 GLY A 360
GLY A 362
SER A 366
VAL A 324
LEU A 332
 869  A1501 ( 4.4A)
None
None
None
None
 1.12A 5kocB-1sqiA:
undetectable		 5kocB-1sqiA:
21.94
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.
6N91_A_DCFA401_1
(ADENOSINE DEAMINASE)		 1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Rattus
norvegicus) 		4 / 4 HIS A 356
LEU A 299
TYR A 295
GLY A 362
 None
 1.42A 6n91A-1sqiA:
undetectable		 6n91A-1sqiA:
12.21
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.
6N91_B_DCFB401_1
(ADENOSINE DEAMINASE)		 1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Rattus
norvegicus) 		4 / 4 HIS A 356
LEU A 299
TYR A 295
GLY A 362
 None
 1.41A 6n91B-1sqiA:
undetectable		 6n91B-1sqiA:
12.21
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.
6R2E_B_FFOB403_0
(THYMIDYLATE SYNTHASE)		 1sqi 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE
(Rattus
norvegicus) 		5 / 10 PHE A  24
LEU A  75
GLY A  27
ASN A  28
MET A  82
 None
 1.50A 6r2eB-1sqiA:
0.0		 6r2eB-1sqiA:
22.52