SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4di1'

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.
11GS_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		4 / 7 GLY A 142
ARG A 145
ILE A  87
GLY A 107
 None
 0.76A 11gsB-4di1A:
undetectable		 11gsB-4di1A:
23.78
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.
1AV2_A_DVAA6_0
(GRAMICIDIN A)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		3 / 3 ALA A  49
VAL A  98
TRP A 192
 None
 0.87A 1av2A-4di1A:
undetectable
1av2B-4di1A:
undetectable		 1av2A-4di1A:
17.39
1av2B-4di1A:
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.
1AV2_D_DVAD6_0
(GRAMICIDIN A)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		3 / 3 TRP A 192
ALA A  49
VAL A  98
 None
 0.80A 1av2C-4di1A:
undetectable
1av2D-4di1A:
undetectable		 1av2C-4di1A:
17.39
1av2D-4di1A:
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.
1E7B_A_HLTA4001_1
(SERUM ALBUMIN)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		4 / 5 ARG A  44
ALA A  14
ASP A  46
GLY A  12
 None
 0.99A 1e7bA-4di1A:
undetectable		 1e7bA-4di1A:
19.32
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.
1E7C_A_HLTA4001_1
(SERUM ALBUMIN)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		4 / 5 ARG A  44
ALA A  14
ASP A  46
GLY A  12
 None
 0.90A 1e7cA-4di1A:
undetectable		 1e7cA-4di1A:
19.32
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.
1I9G_A_SAMA301_0
(HYPOTHETICAL PROTEIN
RV2118C)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		5 / 12 GLY A  48
ALA A 205
LEU A 204
ASP A  10
LEU A  13
 None
 1.22A 1i9gA-4di1A:
undetectable		 1i9gA-4di1A:
25.30
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.
1OLT_A_SAMA501_0
(OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		5 / 12 THR A  27
ASP A  64
GLY A  62
ILE A  58
PHE A  59
 None
 1.22A 1oltA-4di1A:
undetectable		 1oltA-4di1A:
20.86
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.
1W5U_A_DVAA6_0
(GRAMICIDIN D)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		3 / 3 ALA A  49
VAL A  98
TRP A 192
 None
 0.85A 1w5uA-4di1A:
undetectable
1w5uB-4di1A:
undetectable		 1w5uA-4di1A:
17.39
1w5uB-4di1A:
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.
1W5U_B_DVAB6_0
(GRAMICIDIN D)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		3 / 3 TRP A 192
ALA A  49
VAL A  98
 None
 0.86A 1w5uA-4di1A:
undetectable
1w5uB-4di1A:
undetectable		 1w5uA-4di1A:
17.39
1w5uB-4di1A:
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.
2IZQ_A_DVAA6_0
(GRAMICIDIN D)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		3 / 3 ALA A  49
VAL A  98
TRP A 192
 None
 0.85A 2izqA-4di1A:
undetectable
2izqB-4di1A:
undetectable		 2izqA-4di1A:
17.39
2izqB-4di1A:
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.
2IZQ_D_DVAD6_0
(GRAMICIDIN D)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		3 / 3 TRP A 192
ALA A  49
VAL A  98
 None
 0.93A 2izqC-4di1A:
undetectable
2izqD-4di1A:
undetectable		 2izqC-4di1A:
17.39
2izqD-4di1A:
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.
3BGD_B_PM6B301_1
(THIOPURINE
S-METHYLTRANSFERASE)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		4 / 8 GLY A  48
LEU A 204
PRO A  96
TRP A 118
 None
 0.84A 3bgdB-4di1A:
undetectable		 3bgdB-4di1A:
20.14
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.
3CZH_A_D2VA602_1
(CYTOCHROME P450 2R1)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		5 / 12 THR A  97
PHE A  59
VAL A  18
ALA A 100
VAL A 101
 None
 1.03A 3czhA-4di1A:
undetectable		 3czhA-4di1A:
21.23
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.
3L8L_D_DVAD6_0
(GRAMICIDIN D)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		3 / 3 TRP A 192
ALA A  49
VAL A  98
 None
 0.95A 3l8lC-4di1A:
undetectable
3l8lD-4di1A:
undetectable		 3l8lC-4di1A:
17.39
3l8lD-4di1A:
6.42
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.
3O02_B_JN3B1_1
(CELL INVASION
PROTEIN SIPD)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		5 / 10 ILE A  93
ALA A  37
LEU A  52
LEU A  16
VAL A   7
 None
 1.15A 3o02A-4di1A:
undetectable
3o02B-4di1A:
undetectable		 3o02A-4di1A:
19.88
3o02B-4di1A:
19.88
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.
4WNW_B_RTZB602_1
(CYTOCHROME P450 2D6)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		5 / 12 GLY A  42
LEU A  41
ALA A  91
VAL A  50
VAL A   5
 None
 0.84A 4wnwB-4di1A:
undetectable		 4wnwB-4di1A:
21.46
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.
4Z69_A_DIFA1006_1
(SERUM ALBUMIN)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		4 / 7 ILE A  87
LEU A  84
TYR A  31
GLY A 139
 None
 1.02A 4z69A-4di1A:
undetectable		 4z69A-4di1A:
19.32
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.
5A06_B_SORB1342_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		4 / 7 ILE A  87
LEU A  84
GLY A 139
GLY A 140
 None
 0.80A 5a06B-4di1A:
undetectable		 5a06B-4di1A:
23.23
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.
5QGN_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		3 / 3 VAL A  18
VAL A   5
GLN A  29
 None
 0.60A 5qgnA-4di1A:
undetectable		 5qgnA-4di1A:
21.09
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.
5QGY_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		3 / 3 VAL A  18
VAL A   5
GLN A  29
 None
 0.67A 5qgyA-4di1A:
undetectable		 5qgyA-4di1A:
21.09
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.
5QH2_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		3 / 3 VAL A  18
VAL A   5
GLN A  29
 None
 0.68A 5qh2A-4di1A:
undetectable		 5qh2A-4di1A:
21.09
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.
5QH5_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		3 / 3 VAL A  18
VAL A   5
GLN A  29
 None
 0.64A 5qh5A-4di1A:
undetectable		 5qh5A-4di1A:
21.09
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.
5QH7_A_ACTA301_0
(PEROXISOMAL COENZYME
A DIPHOSPHATASE
NUDT7)		 4di1 ENOYL-COA HYDRATASE
ECHA17
(Mycobacterium
marinum) 		3 / 3 VAL A  18
VAL A   5
GLN A  29
 None
 0.67A 5qh7A-4di1A:
undetectable		 5qh7A-4di1A:
21.09