SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5itw'

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.
1FDU_A_ESTA351_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		5 / 12 SER A 141
VAL A 142
GLY A 143
TYR A 154
GLY A 185
 None
 0.47A 1fduA-5itwA:
27.7		 1fduA-5itwA:
27.54
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.
1FDU_C_ESTC353_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		5 / 12 SER A 141
VAL A 142
GLY A 143
TYR A 154
GLY A 185
 None
 0.49A 1fduC-5itwA:
27.7		 1fduC-5itwA:
27.54
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.
1FDU_D_ESTD352_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		4 / 6 SER A 141
VAL A 142
GLY A 143
TYR A 154
 None
 0.57A 1fduD-5itwA:
27.7		 1fduD-5itwA:
27.54
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.
1IOL_A_ESTA400_1
(ESTROGENIC 17-BETA
HYDROXYSTEROID
DEHYDROGENASE)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		5 / 11 SER A 141
VAL A 142
GLY A 143
TYR A 154
GLY A 185
 None
 0.59A 1iolA-5itwA:
27.5		 1iolA-5itwA:
27.54
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.
1QAO_A_SAMA245_0
(ERMC'
METHYLTRANSFERASE)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		5 / 12 GLY A  14
ILE A  39
ASP A  40
ASP A  62
ILE A  63
 None
 0.64A 1qaoA-5itwA:
6.0		 1qaoA-5itwA:
21.66
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.
1SG9_A_SAMA301_1
(HEMK PROTEIN)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		4 / 4 THR A 189
GLY A  15
ASP A  38
ALA A  90
 SO4  A 302 ( 3.9A)
None
None
None
 1.22A 1sg9A-5itwA:
6.9		 1sg9A-5itwA:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		7 / 11 GLY A  14
ALA A  16
SER A  17
ASP A  38
ASP A  62
ALA A  90
VAL A 112
 None
None
SO4  A 302 (-4.1A)
None
None
None
None
 0.64A 1uayA-5itwA:
30.8		 1uayA-5itwA:
34.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		7 / 10 GLY A  14
ALA A  16
SER A  17
ASP A  38
ASP A  62
ALA A  90
VAL A 112
 None
None
SO4  A 302 (-4.1A)
None
None
None
None
 0.61A 1uayB-5itwA:
30.8		 1uayB-5itwA:
34.08
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_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		5 / 12 LEU A 191
GLY A  14
ASP A  38
ASP A  62
ASN A  89
 SO4  A 302 ( 4.8A)
None
None
None
SO4  A 302 (-3.3A)
 0.95A 2bm9B-5itwA:
5.8		 2bm9B-5itwA:
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.
2BM9_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		6 / 12 LEU A 191
GLY A  14
ASP A  38
ASP A  62
ASN A  89
ALA A  90
 SO4  A 302 ( 4.8A)
None
None
None
SO4  A 302 (-3.3A)
None
 0.96A 2bm9E-5itwA:
5.5		 2bm9E-5itwA:
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.
2H77_A_T3A1_1
(THRA PROTEIN)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		5 / 12 ALA A  72
MET A 120
ALA A 124
LEU A  83
ILE A 136
 None
 1.09A 2h77A-5itwA:
undetectable		 2h77A-5itwA:
21.65
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.
3GWS_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		5 / 12 ALA A  72
MET A 120
ALA A 124
LEU A  83
ILE A 136
 None
 1.08A 3gwsX-5itwA:
undetectable		 3gwsX-5itwA:
22.65
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.
3IV6_B_SAMB301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		5 / 12 GLY A  14
SER A  17
ASP A  38
ASP A  62
ILE A  63
 None
SO4  A 302 (-4.1A)
None
None
None
 0.96A 3iv6B-5itwA:
7.4		 3iv6B-5itwA:
21.63
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.
3S8P_A_SAMA500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		3 / 3 HIS A 123
SER A  75
GLU A  74
 None
 0.80A 3s8pA-5itwA:
undetectable		 3s8pA-5itwA:
19.11
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.
4A81_A_DXCA1161_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		5 / 12 GLY A  15
ASP A  38
ILE A  63
ASN A 138
LEU A  11
 None
 1.02A 4a81A-5itwA:
undetectable		 4a81A-5itwA:
19.84
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.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		5 / 12 GLY A  14
ASP A  38
ILE A  39
ASP A  62
ILE A  63
 None
 0.68A 4iv8A-5itwA:
7.2		 4iv8A-5itwA:
20.52
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.
4IV8_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		5 / 12 GLY A  14
ASP A  38
ILE A  39
ASP A  62
ILE A  63
 None
 0.68A 4iv8B-5itwA:
7.3		 4iv8B-5itwA:
20.52
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.
4OBW_D_SAMD601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		5 / 12 TYR A 154
GLY A  91
ILE A  19
GLY A  18
ASN A 192
 None
None
SO4  A 302 (-3.9A)
SO4  A 302 (-3.5A)
None
 1.24A 4obwD-5itwA:
6.9		 4obwD-5itwA:
21.95
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.
5INZ_D_DVAD15_0
(THETA DEFENSIN-2,
D-PEPTIDE
THETA DEFENSIN-2,
L-PEPTIDE)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		3 / 3 GLY A 143
CYH A 140
CYH A 183
 None
 0.86A 5inzB-5itwA:
undetectable		 5inzB-5itwA:
5.76
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.
6BQ4_A_ADNA401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		5 / 12 GLY A  14
ASP A  38
ILE A  39
ASP A  40
ASP A  62
 None
 0.86A 6bq4A-5itwA:
7.0		 6bq4A-5itwA:
17.39
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.
6BQ4_B_ADNB401_1
(THERMOSPERMINE
SYNTHASE ACAULIS
PROTEIN)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		5 / 12 GLY A  14
ASP A  38
ILE A  39
ASP A  40
ASP A  62
 None
 0.81A 6bq4B-5itwA:
6.3		 6bq4B-5itwA:
17.39
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.
6EXI_B_ADNB503_1
(ADENOSYLHOMOCYSTEINA
SE)		 5itw DIHYDROANTICAPSIN
7-DEHYDROGENASE
(Bacillus
subtilis) 		5 / 10 GLY A  14
GLY A  20
THR A  13
ASN A  88
ILE A  63
 None
SO4  A 302 (-3.8A)
None
None
None
 1.15A 6exiB-5itwA:
7.9		 6exiB-5itwA:
14.80