SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3njb'

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.
1AV2_A_DVAA6_0
(GRAMICIDIN A)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ALA A 281
VAL A 283
TRP A 177
 None
 0.88A 1av2A-3njbA:
undetectable
1av2B-3njbA:
undetectable		 1av2A-3njbA:
6.80
1av2B-3njbA:
6.80
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)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 TRP A 177
ALA A 281
VAL A 283
 None
 0.73A 1av2C-3njbA:
undetectable
1av2D-3njbA:
undetectable		 1av2C-3njbA:
6.80
1av2D-3njbA:
6.80
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)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ALA A 281
VAL A 283
TRP A 177
 None
 0.87A 1w5uA-3njbA:
undetectable
1w5uB-3njbA:
undetectable		 1w5uA-3njbA:
6.80
1w5uB-3njbA:
6.80
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)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 TRP A 177
ALA A 281
VAL A 283
 None
 0.84A 1w5uA-3njbA:
undetectable
1w5uB-3njbA:
undetectable		 1w5uA-3njbA:
6.80
1w5uB-3njbA:
6.80
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)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 ALA A 281
VAL A 283
TRP A 177
 None
 0.77A 2izqA-3njbA:
undetectable
2izqB-3njbA:
undetectable		 2izqA-3njbA:
6.80
2izqB-3njbA:
6.80
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)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 TRP A 177
ALA A 281
VAL A 283
 None
 0.96A 2izqC-3njbA:
undetectable
2izqD-3njbA:
undetectable		 2izqC-3njbA:
6.80
2izqD-3njbA:
6.80
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.
3BOG_C_DHIC8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 SER A 310
GLY A 201
GLY A 170
 None
 0.54A 3bogA-3njbA:
undetectable
3bogC-3njbA:
undetectable		 3bogA-3njbA:
undetectable
3bogC-3njbA:
undetectable
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.
3CV9_A_VDXA501_1
(CYTOCHROME P450-SU1)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 LEU A 224
SER A  65
ILE A 162
ILE A 204
GLY A 170
 None
 1.25A 3cv9A-3njbA:
undetectable		 3cv9A-3njbA:
21.68
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.
3JUS_B_ECNB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 TYR A  18
LEU A  13
THR A  17
GLY A  66
ILE A  62
 None
 1.38A 3jusB-3njbA:
undetectable		 3jusB-3njbA:
21.37
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_B_DVAB6_0
(GRAMICIDIN D)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 TRP A 177
ALA A 281
VAL A 283
 None
 0.86A 3l8lA-3njbA:
undetectable
3l8lB-3njbA:
undetectable		 3l8lA-3njbA:
6.80
3l8lB-3njbA:
7.26
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)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 TRP A 177
ALA A 281
VAL A 283
 None
 0.93A 3l8lC-3njbA:
undetectable
3l8lD-3njbA:
undetectable		 3l8lC-3njbA:
6.80
3l8lD-3njbA:
7.26
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.
3OXW_D_017D200_1
(HIV-1 PROTEASE)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 GLY A 145
ALA A 167
ILE A 204
GLY A 170
VAL A 161
 None
 1.00A 3oxwC-3njbA:
undetectable		 3oxwC-3njbA:
14.09
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.
4C5N_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		5 / 10 ASP A 153
GLY A 151
HIS A 157
VAL A 141
CYH A 147
 None
 1.27A 4c5nB-3njbA:
undetectable		 4c5nB-3njbA:
22.83
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.
4XOY_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 ALA A 209
GLN A 208
LEU A 214
LEU A 197
 None
 1.14A 4xoyA-3njbA:
undetectable		 4xoyA-3njbA:
21.02
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.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 LYS A 137
ILE A  62
ILE A  27
 None
 0.55A 4y0qA-3njbA:
undetectable		 4y0qA-3njbA:
16.86
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.
6HCX_A_ZMRA519_1
(NEURAMINIDASE)		 3njb ENOYL-COA HYDRATASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 TRP A 113
ILE A 272
GLU A 278
 None
 0.86A 6hcxA-3njbA:
undetectable		 6hcxA-3njbA:
14.38