SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3pe8'

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.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)		 3pe8 ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A 103
GLY A 102
LEU A 136
LEU A 108
PHE A  38
 None
ZN  A 254 ( 4.1A)
None
None
None
 1.03A 1mx1F-3pe8A:
undetectable		 1mx1F-3pe8A:
19.24
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.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		 3pe8 ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 CYH A  63
PRO A  60
THR A 124
THR A 101
 None
 1.15A 1ymxB-3pe8A:
undetectable		 1ymxB-3pe8A:
23.43
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.
2IGT_A_SAMA1001_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 3pe8 ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ASP A  51
ASP A  47
ASP A  13
 None
 0.68A 2igtA-3pe8A:
undetectable		 2igtA-3pe8A:
22.56
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.
2IGT_B_SAMB1002_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 3pe8 ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ASP A  51
ASP A  47
ASP A  13
 None
 0.69A 2igtB-3pe8A:
undetectable		 2igtB-3pe8A:
22.56
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.
2OTH_A_NIMA300_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 3pe8 ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 LEU A 169
ALA A 115
ILE A  95
LYS A 143
 None
 1.03A 2othA-3pe8A:
undetectable		 2othA-3pe8A:
21.21
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.
3BJW_B_SVRB512_1
(PHOSPHOLIPASE A2)		 3pe8 ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 VAL A  15
VAL A  50
THR A  17
ARG A  16
 None
 1.17A 3bjwA-3pe8A:
undetectable		 3bjwA-3pe8A:
18.03
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.
3BJW_F_SVRF509_1
(PHOSPHOLIPASE A2)		 3pe8 ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 VAL A  15
VAL A  50
THR A  17
ARG A  16
 None
 1.22A 3bjwC-3pe8A:
undetectable		 3bjwC-3pe8A:
18.03
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.
3HS6_B_EPAB1_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3pe8 ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ASN A  96
ILE A  95
GLY A  65
ALA A  28
GLY A  57
 None
 0.82A 3hs6B-3pe8A:
undetectable		 3hs6B-3pe8A:
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.
4E1G_A_LNLA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3pe8 ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ASN A  96
ILE A  95
GLY A  65
ALA A  28
GLY A  57
 None
 0.89A 4e1gA-3pe8A:
undetectable		 4e1gA-3pe8A:
17.18
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.
4EIX_A_NIMA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 3pe8 ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 LEU A 169
ALA A 115
ILE A  95
LYS A 143
 None
 1.12A 4eixA-3pe8A:
undetectable		 4eixA-3pe8A:
21.21
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.
4MM4_B_8PRB603_2
(TRANSPORTER)		 3pe8 ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 SER A  42
MET A  87
ASP A  49
 None
 0.91A 4mm4B-3pe8A:
undetectable		 4mm4B-3pe8A:
19.27
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.
5SYE_B_TA1B502_1
(TUBULIN BETA CHAIN)		 3pe8 ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLU A 172
VAL A 173
LEU A 108
ALA A 164
GLY A  97
 None
 1.06A 5syeB-3pe8A:
undetectable		 5syeB-3pe8A:
21.45
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.
6BEO_A_DHIA4_0
((DPR)PY(DHI)PKDL(DGN
))		 3pe8 ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 TYR A 109
PRO A  85
LEU A  41
 None
 0.86A 6beoA-3pe8A:
undetectable		 6beoA-3pe8A:
2.78
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.
6CNJ_D_NCTD402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 3pe8 ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 TYR A 109
TRP A 134
THR A 133
LEU A  66
 None
 1.30A 6cnjD-3pe8A:
undetectable
6cnjE-3pe8A:
undetectable		 6cnjD-3pe8A:
16.59
6cnjE-3pe8A:
17.33