SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5whr'

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.
1IBG_H_OBNH1_2
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)
IGG2B-KAPPA 40-50
FAB (LIGHT CHAIN))		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		5 / 7 THR A 395
SER A 398
SER A 341
ARG A 343
LEU A 211
 None
None
None
HEM  A 501 (-3.9A)
None
 1.44A 1ibgL-5whrA:
undetectable		 1ibgL-5whrA:
16.26
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.
1IBG_H_OBNH1_2
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)
IGG2B-KAPPA 40-50
FAB (LIGHT CHAIN))		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		4 / 7 THR A 395
SER A 398
SER A 344
ARG A 343
 None
None
None
HEM  A 501 (-3.9A)
 1.17A 1ibgL-5whrA:
undetectable		 1ibgL-5whrA:
16.26
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.
1IE9_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		5 / 12 LEU A 388
SER A 263
VAL A 391
LEU A 292
HIS A 287
 HEM  A 501 ( 4.8A)
AOJ  A 502 (-4.1A)
HEM  A 501 (-4.7A)
None
None
 1.29A 1ie9A-5whrA:
undetectable		 1ie9A-5whrA:
14.34
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.
2B25_A_SAMA601_0
(HYPOTHETICAL PROTEIN)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		5 / 12 THR A 382
THR A 379
GLY A 265
GLY A 261
ASP A 274
 HEM  A 501 (-2.9A)
AOJ  A 502 ( 2.9A)
HEM  A 501 ( 3.7A)
None
None
 0.95A 2b25A-5whrA:
undetectable		 2b25A-5whrA:
undetectable
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.
2DXR_A_SORA1002_0
(LACTOTRANSFERRIN)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		3 / 3 THR A  87
PRO A 122
TYR A 249
 None
 0.88A 2dxrA-5whrA:
undetectable		 2dxrA-5whrA:
undetectable
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.
2H77_A_T3A1_1
(THRA PROTEIN)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		5 / 12 ILE A  42
ALA A  43
ALA A  79
LEU A  83
LEU A  65
 None
 0.98A 2h77A-5whrA:
undetectable		 2h77A-5whrA:
16.10
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.
3GWV_A_RFXA801_1
(TRANSPORTER)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		5 / 12 LEU A 277
GLY A 278
LEU A 276
TYR A 332
LEU A 196
 None
 0.95A 3gwvA-5whrA:
undetectable		 3gwvA-5whrA:
10.35
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		4 / 6 LYS A  74
GLN A  76
LEU A  78
LEU A  32
 None
 0.64A 3h5gA-5whrA:
undetectable
3h5gC-5whrA:
undetectable		 3h5gA-5whrA:
undetectable
3h5gC-5whrA:
undetectable
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.
3HCR_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		4 / 7 LEU A  70
ARG A  77
ARG A  80
GLY A  84
 None
 1.08A 3hcrB-5whrA:
undetectable		 3hcrB-5whrA:
undetectable
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.
4LNW_A_T3A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		5 / 12 ILE A  42
ALA A  43
ALA A  79
LEU A  83
LEU A  65
 None
 1.04A 4lnwA-5whrA:
undetectable		 4lnwA-5whrA:
16.10
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.
4LNX_A_T3A502_1
(THYROID HORMONE
RECEPTOR ALPHA)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		5 / 12 ILE A  42
ALA A  43
ALA A  79
LEU A  83
LEU A  65
 None
 1.04A 4lnxA-5whrA:
undetectable		 4lnxA-5whrA:
16.10
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.
4P6X_G_HCYG900_2
(GLUCOCORTICOID
RECEPTOR)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		3 / 3 LEU A  83
MET A  40
TYR A  90
 None
 0.84A 4p6xG-5whrA:
undetectable		 4p6xG-5whrA:
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.
5ECN_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		4 / 7 ALA A 283
THR A 282
VAL A 275
GLU A 311
 None
 1.22A 5ecnA-5whrA:
undetectable		 5ecnA-5whrA:
undetectable
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.
5FSA_A_X2NA590_1
(CYP51 VARIANT1)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		5 / 12 ALA A 338
PHE A 226
PHE A 214
GLY A 378
LEU A 388
 None
HEM  A 501 ( 4.0A)
HEM  A 501 (-4.0A)
AOJ  A 502 (-3.3A)
HEM  A 501 ( 4.8A)
 1.20A 5fsaA-5whrA:
0.9		 5fsaA-5whrA:
10.96
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.
6E43_A_BEZA502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		5 / 6 VAL A 269
LEU A 339
LEU A 342
ARG A 343
HIS A 346
 None
None
None
HEM  A 501 (-3.9A)
HEM  A 501 (-3.2A)
 0.76A 6e43A-5whrA:
59.3		 6e43A-5whrA:
undetectable
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.
6E43_B_BEZB502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		5 / 6 VAL A 269
LEU A 339
LEU A 342
ARG A 343
HIS A 346
 None
None
None
HEM  A 501 (-3.9A)
HEM  A 501 (-3.2A)
 0.71A 6e43B-5whrA:
27.8		 6e43B-5whrA:
undetectable
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.
6E43_C_BEZC502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		5 / 6 VAL A 269
LEU A 339
LEU A 342
ARG A 343
HIS A 346
 None
None
None
HEM  A 501 (-3.9A)
HEM  A 501 (-3.2A)
 0.74A 6e43C-5whrA:
28.1		 6e43C-5whrA:
undetectable
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.
6E43_D_BEZD502_0
(INDOLEAMINE
2,3-DIOXYGENASE 1)		 5whr INDOLEAMINE
2,3-DIOXYGENASE 1
(Homo
sapiens) 		5 / 6 VAL A 269
LEU A 339
LEU A 342
ARG A 343
HIS A 346
 None
None
None
HEM  A 501 (-3.9A)
HEM  A 501 (-3.2A)
 0.77A 6e43D-5whrA:
58.8		 6e43D-5whrA:
undetectable