SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'VD3'


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.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		6 / 12 SER A 188
ILE A 211
LEU A 257
GLY A 305
VAL A 253
ALA A 250
 None
None
None
VD3  A 701 ( 3.9A)
VD3  A 701 ( 4.2A)
VD3  A 701 (-3.3A)
 1.40A 1tlsA-3c6gA:
undetectable		 1tlsA-3c6gA:
21.67
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.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		6 / 12 SER A 188
ILE A 211
LEU A 257
GLY A 305
VAL A 253
ALA A 250
 None
None
None
VD3  A 701 ( 3.9A)
VD3  A 701 ( 4.2A)
VD3  A 701 (-3.3A)
 1.47A 1tlsB-3c6gA:
undetectable		 1tlsB-3c6gA:
21.67
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.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		6 / 12 SER A 188
ILE A 211
LEU A 257
GLY A 305
VAL A 253
ALA A 250
 None
None
None
VD3  A 701 ( 3.9A)
VD3  A 701 ( 4.2A)
VD3  A 701 (-3.3A)
 1.39A 1tsnA-3c6gA:
undetectable		 1tsnA-3c6gA:
21.67
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.
2OAX_B_SNLB2001_1
(MINERALOCORTICOID
RECEPTOR)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		5 / 12 LEU A  81
ALA A 221
LEU A 485
LEU A 377
THR A 399
 None
VD3  A 701 ( 3.8A)
None
None
None
 1.29A 2oaxB-3c6gA:
undetectable		 2oaxB-3c6gA:
20.04
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.
2OAX_C_SNLC3001_1
(MINERALOCORTICOID
RECEPTOR)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		5 / 12 LEU A  81
ALA A 221
LEU A 485
LEU A 377
THR A 399
 None
VD3  A 701 ( 3.8A)
None
None
None
 1.22A 2oaxC-3c6gA:
undetectable		 2oaxC-3c6gA:
20.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		6 / 12 ALA A 222
THR A 314
VAL A 375
ILE A 379
MET A 487
THR A 488
 None
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.5A)
HEM  A 601 ( 4.1A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 4.6A)
 1.32A 3czhA-3c6gA:
65.1		 3czhA-3c6gA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		7 / 12 THR A 119
ASN A 126
PHE A 214
ALA A 250
VAL A 253
THR A 488
ILE A 379
 None
VD3  A 701 (-4.2A)
VD3  A 701 (-4.6A)
VD3  A 701 (-3.3A)
VD3  A 701 ( 4.2A)
VD3  A 701 ( 4.6A)
HEM  A 601 ( 4.1A)
 1.48A 3czhA-3c6gA:
65.1		 3czhA-3c6gA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		12 / 12 THR A 119
ASN A 126
PHE A 214
VAL A 218
ALA A 221
ALA A 250
VAL A 253
THR A 314
VAL A 375
ILE A 379
MET A 487
THR A 488
 None
VD3  A 701 (-4.2A)
VD3  A 701 (-4.6A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 3.8A)
VD3  A 701 (-3.3A)
VD3  A 701 ( 4.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.5A)
HEM  A 601 ( 4.1A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 4.6A)
 0.17A 3czhA-3c6gA:
65.1		 3czhA-3c6gA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		3 / 3 LEU A 257
GLU A 306
ILE A 309
 None
VD3  A 701 ( 4.8A)
None
 0.12A 3czhA-3c6gA:
65.1		 3czhA-3c6gA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		6 / 12 ALA A 222
THR A 314
VAL A 375
ILE A 379
MET A 487
THR A 488
 None
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.5A)
HEM  A 601 ( 4.1A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 4.6A)
 1.36A 3czhB-3c6gA:
62.7		 3czhB-3c6gA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		12 / 12 THR A 119
LEU A 125
ASN A 126
PHE A 214
ALA A 221
ALA A 250
VAL A 253
THR A 314
VAL A 375
ILE A 379
MET A 487
THR A 488
 None
HEM  A 601 (-4.3A)
VD3  A 701 (-4.2A)
VD3  A 701 (-4.6A)
VD3  A 701 ( 3.8A)
VD3  A 701 (-3.3A)
VD3  A 701 ( 4.2A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.5A)
HEM  A 601 ( 4.1A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 4.6A)
 0.25A 3czhB-3c6gA:
62.7		 3czhB-3c6gA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		12 / 12 MET A 118
THR A 119
PHE A 214
VAL A 218
ALA A 221
VAL A 253
TYR A 254
GLU A 306
VAL A 375
ILE A 379
MET A 487
THR A 488
 VD3  A 701 ( 3.9A)
None
VD3  A 701 (-4.6A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 3.8A)
VD3  A 701 ( 4.2A)
None
VD3  A 701 ( 4.8A)
HEM  A 601 ( 4.5A)
HEM  A 601 ( 4.1A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 4.6A)
 0.12A 3dl9A-3c6gA:
65.3		 3dl9A-3c6gA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		5 / 5 ASN A 126
ALA A 250
LEU A 257
GLY A 305
THR A 314
 VD3  A 701 (-4.2A)
VD3  A 701 (-3.3A)
None
VD3  A 701 ( 3.9A)
HEM  A 601 (-3.4A)
 0.13A 3dl9A-3c6gA:
65.3		 3dl9A-3c6gA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		5 / 12 MET A 118
THR A 119
ALA A 250
THR A 191
THR A 312
 VD3  A 701 ( 3.9A)
None
VD3  A 701 (-3.3A)
HEM  A 601 ( 4.1A)
None
 1.18A 3dl9B-3c6gA:
62.7		 3dl9B-3c6gA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3DL9_B_V2HB602_0
(CYTOCHROME P450 2R1)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		12 / 12 MET A 118
THR A 119
ASN A 126
PHE A 214
VAL A 218
ALA A 221
ALA A 250
GLU A 306
THR A 314
ILE A 379
MET A 487
THR A 488
 VD3  A 701 ( 3.9A)
None
VD3  A 701 (-4.2A)
VD3  A 701 (-4.6A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 3.8A)
VD3  A 701 (-3.3A)
VD3  A 701 ( 4.8A)
HEM  A 601 (-3.4A)
HEM  A 601 ( 4.1A)
VD3  A 701 ( 4.5A)
VD3  A 701 ( 4.6A)
 0.19A 3dl9B-3c6gA:
62.7		 3dl9B-3c6gA:
100.00
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.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		4 / 6 ILE A 309
ALA A 310
THR A 314
THR A 488
 None
HEM  A 601 (-3.3A)
HEM  A 601 (-3.4A)
VD3  A 701 ( 4.6A)
 0.42A 3mdrA-3c6gA:
34.6		 3mdrA-3c6gA:
27.25
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.
3MDR_B_GJZB506_1
(CHOLESTEROL
24-HYDROXYLASE)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		4 / 6 ILE A 309
ALA A 310
THR A 314
THR A 488
 None
HEM  A 601 (-3.3A)
HEM  A 601 (-3.4A)
VD3  A 701 ( 4.6A)
 0.41A 3mdrB-3c6gA:
35.7		 3mdrB-3c6gA:
27.25
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.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		5 / 12 ILE A 309
ALA A 310
GLU A 313
THR A 314
THR A 488
 None
HEM  A 601 (-3.3A)
None
HEM  A 601 (-3.4A)
VD3  A 701 ( 4.6A)
 0.60A 3mdvB-3c6gA:
36.0		 3mdvB-3c6gA:
27.25
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.
3SPK_A_TPVA100_1
(HIV-1 PROTEASE)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		5 / 11 LEU A 114
ALA A 250
ILE A 301
GLY A 305
ILE A 309
 None
VD3  A 701 (-3.3A)
None
VD3  A 701 ( 3.9A)
None
 1.09A 3spkA-3c6gA:
undetectable		 3spkA-3c6gA:
12.32
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.
3VHU_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		5 / 12 LEU A  81
ALA A 221
LEU A 485
LEU A 377
THR A 399
 None
VD3  A 701 ( 3.8A)
None
None
None
 1.22A 3vhuA-3c6gA:
undetectable		 3vhuA-3c6gA:
20.66
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.
4FOX_D_D16D301_1
(THYMIDYLATE SYNTHASE)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		6 / 12 SER A 188
ILE A 211
LEU A 257
GLY A 305
VAL A 253
ALA A 250
 None
None
None
VD3  A 701 ( 3.9A)
VD3  A 701 ( 4.2A)
VD3  A 701 (-3.3A)
 1.36A 4foxD-3c6gA:
undetectable		 4foxD-3c6gA:
19.17
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		 3c6g CYTOCHROME P450 2R1
(Homo
sapiens) 		4 / 6 MET A 487
THR A 488
LEU A 489
LEU A 369
 VD3  A 701 ( 4.5A)
VD3  A 701 ( 4.6A)
None
None
 1.17A 6mvxA-3c6gA:
undetectable
6mvxB-3c6gA:
undetectable
6mvxC-3c6gA:
undetectable		 6mvxA-3c6gA:
21.14
6mvxB-3c6gA:
21.14
6mvxC-3c6gA:
21.14