SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3qw2'

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.
1KQE_A_DVAA6_0
(MINI-GRAMICIDIN A)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		3 / 3 ALA A 363
VAL A 359
TRP A 387
 None
 0.84A 1kqeA-3qw2A:
undetectable
1kqeE-3qw2A:
undetectable		 1kqeA-3qw2A:
4.76
1kqeE-3qw2A:
4.76
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.
1KQE_B_DVAB6_0
(MINI-GRAMICIDIN A)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		3 / 3 ALA A 363
VAL A 359
TRP A 387
 None
 0.82A 1kqeB-3qw2A:
undetectable
1kqeD-3qw2A:
undetectable		 1kqeB-3qw2A:
4.76
1kqeD-3qw2A:
4.76
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.
1KQE_D_DVAD6_0
(MINI-GRAMICIDIN A)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		3 / 3 TRP A 387
ALA A 363
VAL A 359
 None
 0.83A 1kqeB-3qw2A:
undetectable
1kqeD-3qw2A:
undetectable		 1kqeB-3qw2A:
4.76
1kqeD-3qw2A:
4.76
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.
1KQE_E_DVAE6_0
(MINI-GRAMICIDIN A)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		3 / 3 TRP A 387
ALA A 363
VAL A 359
 None
 0.81A 1kqeA-3qw2A:
undetectable
1kqeE-3qw2A:
undetectable		 1kqeA-3qw2A:
4.76
1kqeE-3qw2A:
4.76
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.
2NXE_A_SAMA302_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		3 / 3 THR A 294
ASP A 225
SER A 202
 None
NAD  A 396 (-4.2A)
None
 0.69A 2nxeA-3qw2A:
3.6		 2nxeA-3qw2A:
24.44
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.
2NXE_B_SAMB303_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		3 / 3 THR A 294
ASP A 225
SER A 202
 None
NAD  A 396 (-4.2A)
None
 0.72A 2nxeB-3qw2A:
3.3		 2nxeB-3qw2A:
24.44
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.
2Y7K_A_SALA1302_1
(LYSR-TYPE REGULATORY
PROTEIN)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		5 / 11 THR A  14
ILE A  11
GLY A  10
TYR A 260
HIS A  77
 None
NAD  A 396 (-4.4A)
NAD  A 396 (-3.2A)
NAD  A 396 (-3.9A)
None
 1.42A 2y7kA-3qw2A:
undetectable		 2y7kA-3qw2A:
21.32
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.
2Y7K_B_SALB1304_1
(LYSR-TYPE REGULATORY
PROTEIN)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		5 / 10 THR A  14
ILE A  11
GLY A  10
TYR A 260
HIS A  77
 None
NAD  A 396 (-4.4A)
NAD  A 396 (-3.2A)
NAD  A 396 (-3.9A)
None
 1.40A 2y7kB-3qw2A:
0.4		 2y7kB-3qw2A:
21.32
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.
3A8I_A_C2FA401_0
(AMINOMETHYLTRANSFERA
SE)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		5 / 12 MET A 370
ILE A 207
ASN A 224
PHE A 167
TYR A 196
 None
 1.05A 3a8iA-3qw2A:
undetectable		 3a8iA-3qw2A:
21.91
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.
3A8I_C_C2FC401_0
(AMINOMETHYLTRANSFERA
SE)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		5 / 12 MET A 370
ILE A 207
ASN A 224
PHE A 167
TYR A 196
 None
 0.94A 3a8iC-3qw2A:
undetectable		 3a8iC-3qw2A:
21.91
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.
3A8I_D_C2FD401_0
(AMINOMETHYLTRANSFERA
SE)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		5 / 12 MET A 370
ILE A 207
ASN A 224
PHE A 167
TYR A 196
 None
 1.04A 3a8iD-3qw2A:
undetectable		 3a8iD-3qw2A:
21.91
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.
3E23_A_SAMA221_0
(UNCHARACTERIZED
PROTEIN RPA2492)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		5 / 12 GLY A  32
SER A  35
LEU A  33
LEU A 384
PHE A 364
 None
 1.09A 3e23A-3qw2A:
2.3		 3e23A-3qw2A:
18.64
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.
3ME6_D_CGED501_1
(CYTOCHROME P450 2B4)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		5 / 9 VAL A   3
PHE A  53
PHE A 199
ILE A 145
ALA A 337
 None
 1.28A 3me6D-3qw2A:
undetectable		 3me6D-3qw2A:
21.91
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.
3ONN_A_ACTA271_0
(PROTEIN SSM1)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		4 / 5 GLY A 316
LYS A 315
GLU A 247
GLY A 319
 None
 0.70A 3onnA-3qw2A:
4.0		 3onnA-3qw2A:
21.64
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.
3RET_A_SALA201_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		5 / 10 ALA A 350
VAL A 359
MET A 362
TYR A 196
ILE A 343
 None
 1.38A 3retA-3qw2A:
undetectable
3retB-3qw2A:
undetectable		 3retA-3qw2A:
15.73
3retB-3qw2A:
15.73
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.
4FGZ_B_CQAB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		4 / 8 GLY A 111
VAL A 264
GLU A 109
TYR A 260
 None
None
None
NAD  A 396 (-3.9A)
 0.82A 4fgzB-3qw2A:
undetectable		 4fgzB-3qw2A:
24.00
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.
4MJ8_A_SPMA201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		4 / 8 ASN A 198
TYR A 185
GLU A 151
TYR A 160
 None
NAD  A 396 (-4.3A)
None
None
 1.20A 4mj8A-3qw2A:
undetectable
4mj8C-3qw2A:
undetectable		 4mj8A-3qw2A:
19.19
4mj8C-3qw2A:
19.19
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.
4ZE1_A_X2NA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		4 / 5 VAL A 382
ILE A 207
PRO A 369
THR A 200
 None
None
None
NAD  A 396 (-3.9A)
 1.08A 4ze1A-3qw2A:
undetectable		 4ze1A-3qw2A:
22.88
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.
5IEP_A_VDYA201_2
(CDL2.3B)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		5 / 9 ILE A 207
VAL A 127
LEU A 123
ILE A 171
TYR A 178
 None
 1.45A 5iepA-3qw2A:
undetectable		 5iepA-3qw2A:
14.54
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.
5IFU_B_GBMB801_1
(PROLINE--TRNA LIGASE)		 3qw2 MYO-INOSITOL-1-PHOSP
HATE SYNTHASE (INO1)
(Archaeoglobus
fulgidus) 		5 / 9 TYR A 185
GLU A 117
THR A 115
ILE A  58
GLY A  98
 NAD  A 396 (-4.3A)
None
None
NAD  A 396 (-4.5A)
None
 1.23A 5ifuB-3qw2A:
undetectable		 5ifuB-3qw2A:
21.41