SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4nek'

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.
1JIP_A_KTNA801_1
(CYTOCHROME P450
107A1)		 4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE
(Magnetospirillum
magneticum) 		5 / 12 PHE A  83
ALA A  80
TYR A  32
GLY A 104
LEU A  75
 None
 0.99A 1jipA-4nekA:
undetectable		 1jipA-4nekA:
23.57
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.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		 4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE
(Magnetospirillum
magneticum) 		5 / 12 ALA A  34
LEU A  27
PHE A  83
ILE A  53
LEU A 109
 None
 1.12A 1rx8A-4nekA:
undetectable		 1rx8A-4nekA:
20.97
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.
3LD6_A_KKKA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE
(Magnetospirillum
magneticum) 		5 / 12 PHE A 162
GLY A 104
ALA A 102
THR A 122
ILE A 173
 None
 1.19A 3ld6A-4nekA:
undetectable		 3ld6A-4nekA:
17.91
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.
4AX8_A_SAMA1474_1
(WBDD)		 4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE
(Magnetospirillum
magneticum) 		4 / 6 ARG A 218
ASP A 114
GLU A  43
LEU A 207
 None
 1.29A 4ax8A-4nekA:
undetectable		 4ax8A-4nekA:
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.
4XUM_B_IMNB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE
(Magnetospirillum
magneticum) 		5 / 11 GLY A 100
ALA A 167
ILE A 173
LEU A 110
ILE A 103
 None
 1.19A 4xumB-4nekA:
undetectable		 4xumB-4nekA:
24.12
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.
5ARF_A_SAMA1002_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		 4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE
(Magnetospirillum
magneticum) 		5 / 12 GLY A  11
ARG A 191
GLU A  10
HIS A   8
ALA A 186
 None
 1.44A 5arfA-4nekA:
undetectable		 5arfA-4nekA:
19.46
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.
5ESG_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE
(Magnetospirillum
magneticum) 		5 / 12 ILE A 105
VAL A 164
GLY A 138
LEU A 156
MET A 143
 None
 1.35A 5esgA-4nekA:
undetectable		 5esgA-4nekA:
19.96
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.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE
(Magnetospirillum
magneticum) 		5 / 12 ALA A 153
GLY A 104
GLY A 159
LEU A 158
GLY A 138
 None
 0.93A 5i73A-4nekA:
undetectable		 5i73A-4nekA:
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.
5KGP_A_GCSA407_1
(PREDICTED
ACETYLTRANSFERASE)		 4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE
(Magnetospirillum
magneticum) 		4 / 8 ARG A 151
GLU A 154
GLY A 163
ASP A 165
 None
 1.12A 5kgpA-4nekA:
1.7		 5kgpA-4nekA:
20.33
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.
5KGP_B_GCSB405_1
(PREDICTED
ACETYLTRANSFERASE)		 4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE
(Magnetospirillum
magneticum) 		4 / 8 ARG A 151
GLU A 154
GLY A 163
ASP A 165
 None
 1.09A 5kgpB-4nekA:
undetectable		 5kgpB-4nekA:
20.33
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.
5N5D_B_SAMB303_1
(METHYLTRANSFERASE)		 4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE
(Magnetospirillum
magneticum) 		4 / 7 GLY A  42
PHE A  39
GLU A  43
ASN A  49
 None
 1.10A 5n5dB-4nekA:
undetectable		 5n5dB-4nekA:
27.70
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.
5X23_A_LSNA502_1
(CYTOCHROME P450 2C9)		 4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE
(Magnetospirillum
magneticum) 		5 / 12 ALA A  38
PHE A  83
GLY A  89
ALA A  88
LEU A 109
 None
 0.95A 5x23A-4nekA:
undetectable		 5x23A-4nekA:
20.60
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.
5XDH_C_DAHC60_1
(PUTATIVE CYTOCHROME
C)		 4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE
(Magnetospirillum
magneticum) 		4 / 6 GLN A  57
HIS A   8
MET A 187
LEU A  52
 None
 1.36A 5xdhA-4nekA:
undetectable
5xdhC-4nekA:
undetectable		 5xdhA-4nekA:
16.28
5xdhC-4nekA:
16.28
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.
5Y80_A_IREA402_0
(CYCLIN-G-ASSOCIATED
KINASE)		 4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE
(Magnetospirillum
magneticum) 		5 / 11 ALA A 145
SER A 140
VAL A  87
ILE A  84
ILE A 105
 None
 1.07A 5y80A-4nekA:
undetectable		 5y80A-4nekA:
21.69
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.
6NMF_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE
(Magnetospirillum
magneticum) 		4 / 6 ILE A 105
LEU A 109
ARG A  20
MET A  18
 None
 0.94A 6nmfN-4nekA:
undetectable
6nmfW-4nekA:
undetectable		 6nmfN-4nekA:
19.65
6nmfW-4nekA:
14.29