SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4pw8'

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.
1HWI_A_115A2_2
(HMG-COA REDUCTASE)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		4 / 8 HIS A 273
LEU A 289
ALA A 292
LEU A 293
 None
 0.69A 1hwiB-4pw8A:
undetectable		 1hwiB-4pw8A:
20.00
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.
1HWI_C_115C4_2
(HMG-COA REDUCTASE)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		4 / 8 HIS A 273
LEU A 289
ALA A 292
LEU A 293
 None
 0.66A 1hwiD-4pw8A:
undetectable		 1hwiD-4pw8A:
20.00
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.
1HWI_D_115D3_1
(HMG-COA REDUCTASE)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		4 / 8 HIS A 273
LEU A 289
ALA A 292
LEU A 293
 None
 0.65A 1hwiC-4pw8A:
undetectable		 1hwiC-4pw8A:
20.00
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.
2FT9_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		5 / 11 LEU A 365
LEU A 368
THR A 212
PRO A 213
LEU A 202
 None
 1.31A 2ft9A-4pw8A:
undetectable		 2ft9A-4pw8A:
17.58
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.
2PLW_A_SAMA203_0
(RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		5 / 12 GLY A 291
PRO A 213
GLY A 214
ALA A 292
LEU A 365
 None
 0.88A 2plwA-4pw8A:
undetectable		 2plwA-4pw8A:
18.77
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.
2X2N_C_X2NC1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		5 / 12 PHE A  97
VAL A  93
ALA A 288
ALA A 292
MET A 115
 None
 1.34A 2x2nC-4pw8A:
undetectable		 2x2nC-4pw8A:
20.00
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.
3N0H_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		5 / 11 ILE A 121
PHE A 158
ILE A 165
LEU A  90
VAL A 118
 None
 1.00A 3n0hA-4pw8A:
undetectable		 3n0hA-4pw8A:
18.38
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.
3S3V_A_TOPA187_1
(DIHYDROFOLATE
REDUCTASE)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		5 / 12 ILE A 121
PHE A 158
ILE A 165
LEU A  90
VAL A 118
 None
 0.99A 3s3vA-4pw8A:
undetectable		 3s3vA-4pw8A:
19.09
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.
4AT0_A_ACTA1490_0
(3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		3 / 3 GLU A 145
TYR A 146
SER A  59
 None
 0.98A 4at0A-4pw8A:
undetectable		 4at0A-4pw8A:
20.30
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.
4KMM_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		4 / 5 MET A 315
LEU A 365
ARG A 299
SER A 119
 None
 1.39A 4kmmB-4pw8A:
undetectable		 4kmmB-4pw8A:
20.25
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.
4RRX_A_LURA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		5 / 12 VAL A 205
LEU A 215
GLY A 291
ALA A 292
LEU A 311
 None
 0.91A 4rrxA-4pw8A:
undetectable		 4rrxA-4pw8A:
20.53
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.
4RRX_B_LURB706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		5 / 12 VAL A 205
LEU A 215
GLY A 291
ALA A 292
LEU A 311
 None
 0.91A 4rrxB-4pw8A:
undetectable		 4rrxB-4pw8A:
20.53
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		5 / 12 VAL A 205
LEU A 215
GLY A 291
ALA A 292
LEU A 311
 None
 0.99A 5ikqB-4pw8A:
undetectable		 5ikqB-4pw8A:
20.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6A4I_A_TRPA403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		5 / 8 TRP A 208
THR A 212
PRO A 213
ILE A 295
PRO A 307
 None
 0.42A 6a4iA-4pw8A:
34.3		 6a4iA-4pw8A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6A4I_B_TRPB403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		4 / 7 TRP A 208
THR A 212
PRO A 213
PRO A 307
 None
 0.40A 6a4iB-4pw8A:
33.6		 6a4iB-4pw8A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6A4I_D_TRPD403_0
(TRYPTOPHAN
2,3-DIOXYGENASE)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		6 / 9 TRP A 208
THR A 212
PRO A 213
ILE A 295
ARG A 303
PRO A 307
 None
 1.13A 6a4iD-4pw8A:
30.6		 6a4iD-4pw8A:
99.46
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.
6CDU_A_EY4A501_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		4 / 5 GLN A 128
VAL A 126
TRP A 324
THR A 322
 None
 1.30A 6cduA-4pw8A:
2.7
6cduB-4pw8A:
1.5		 6cduA-4pw8A:
24.25
6cduB-4pw8A:
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.
6GNE_A_ACRA602_2
(-)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		4 / 6 HIS A 328
ASN A 327
TYR A 326
GLU A 133
 None
 1.00A 6gneA-4pw8A:
undetectable		 6gneA-4pw8A:
21.55
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.
6GNE_B_ACRB602_2
(-)		 4pw8 TRYPTOPHAN
2,3-DIOXYGENASE
(Homo
sapiens) 		4 / 8 HIS A 328
ASN A 327
TYR A 326
GLU A 133
 None
 1.01A 6gneB-4pw8A:
undetectable		 6gneB-4pw8A:
21.55