SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ndo'

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.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 221
LEU A 212
ALA A 207
ALA A 209
VAL A  13
 None
 1.21A 1kt4A-3ndoA:
undetectable		 1kt4A-3ndoA:
20.87
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.
1N13_D_AG2D7015_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 LEU A  60
LEU A  30
LEU A  37
GLY A  38
 None
 0.88A 1n13D-3ndoA:
undetectable
1n13E-3ndoA:
undetectable		 1n13D-3ndoA:
21.10
1n13E-3ndoA:
13.02
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.
1NBH_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A  97
VAL A 128
ALA A 209
MET A 179
SER A 192
 None
None
None
None
UNL  A 301 ( 3.7A)
 1.34A 1nbhA-3ndoA:
2.3		 1nbhA-3ndoA:
25.42
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.
1NBH_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A  97
VAL A 128
ALA A 209
MET A 179
SER A 192
 None
None
None
None
UNL  A 301 ( 3.7A)
 1.33A 1nbhC-3ndoA:
2.5		 1nbhC-3ndoA:
25.42
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.
1NBH_D_SAMD3293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A  97
VAL A 128
ALA A 209
MET A 179
SER A 192
 None
None
None
None
UNL  A 301 ( 3.7A)
 1.33A 1nbhD-3ndoA:
2.5		 1nbhD-3ndoA:
25.42
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.
2GEH_A_NHYA300_1
(CARBONIC ANHYDRASE 2)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 HIS A  15
VAL A  13
VAL A  39
LEU A 221
 None
 0.84A 2gehA-3ndoA:
undetectable		 2gehA-3ndoA:
20.30
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.
2P2F_A_ACTA653_0
(ACETYL-COENZYME A
SYNTHETASE)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 VAL A  27
THR A  28
VAL A  55
GLY A  54
 None
 1.14A 2p2fA-3ndoA:
2.3		 2p2fA-3ndoA:
17.78
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.
2P2F_B_ACTB653_0
(ACETYL-COENZYME A
SYNTHETASE)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		4 / 4 VAL A  27
THR A  28
VAL A  55
GLY A  54
 None
 1.12A 2p2fB-3ndoA:
2.3		 2p2fB-3ndoA:
17.78
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 GLY A 164
GLY A 193
SER A 192
GLY A 213
ASP A  14
 UNL  A 301 ( 4.1A)
UNL  A 301 ( 4.0A)
UNL  A 301 ( 3.7A)
UNL  A 301 ( 4.9A)
None
 1.02A 3huoB-3ndoA:
undetectable		 3huoB-3ndoA:
25.44
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.
3V5W_A_8PRA701_2
(G-PROTEIN COUPLED
RECEPTOR KINASE 2)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		3 / 3 LEU A 187
MET A 179
ASP A 146
 None
None
GOL  A 229 (-2.8A)
 0.85A 3v5wA-3ndoA:
undetectable		 3v5wA-3ndoA:
14.58
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.
3WAR_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		4 / 8 VAL A 183
VAL A 159
ILE A 114
ASP A 153
 None
 0.77A 3warA-3ndoA:
undetectable		 3warA-3ndoA:
18.60
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.
4PBH_A_BEZA401_0
(TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT, PUTATIVE)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 THR A  91
ALA A  41
ARG A 211
ASP A  14
PHE A  40
 None
 1.12A 4pbhA-3ndoA:
undetectable		 4pbhA-3ndoA:
24.40
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ALA A 171
SER A 162
ALA A 175
SER A 132
ALA A 191
 None
 1.32A 4twdA-3ndoA:
undetectable
4twdB-3ndoA:
undetectable
4twdC-3ndoA:
undetectable
4twdD-3ndoA:
undetectable
4twdE-3ndoA:
undetectable		 4twdA-3ndoA:
21.86
4twdB-3ndoA:
21.86
4twdC-3ndoA:
21.86
4twdD-3ndoA:
21.86
4twdE-3ndoA:
21.86
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.
4TWD_A_377A402_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 ALA A 209
ALA A 191
ALA A 171
SER A 132
ALA A 207
 None
 1.27A 4twdA-3ndoA:
undetectable
4twdB-3ndoA:
undetectable
4twdC-3ndoA:
undetectable
4twdD-3ndoA:
undetectable
4twdE-3ndoA:
undetectable		 4twdA-3ndoA:
21.86
4twdB-3ndoA:
21.86
4twdC-3ndoA:
21.86
4twdD-3ndoA:
21.86
4twdE-3ndoA:
21.86
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.
5JNC_D_ACTD305_0
(CARBONIC ANHYDRASE 4)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 ALA A  66
ALA A  82
ILE A  93
LEU A 126
 None
 0.67A 5jncD-3ndoA:
undetectable		 5jncD-3ndoA:
22.94
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.
5K50_A_ACTA1403_0
(L-THREONINE
3-DEHYDROGENASE)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		4 / 5 SER A  50
VAL A  49
GLY A  89
ALA A  88
 None
 0.78A 5k50A-3ndoA:
2.7		 5k50A-3ndoA:
20.25
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.
5VEU_A_RITA602_1
(CYTOCHROME P450 3A5)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 LEU A 205
ILE A 195
THR A  16
ALA A  41
GLY A  38
 None
None
UNL  A 301 ( 3.3A)
None
None
 1.13A 5veuA-3ndoA:
undetectable		 5veuA-3ndoA:
19.54
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.
6BZO_C_FI8C1201_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 3ndo DEOXYRIBOSE-PHOSPHAT
E ALDOLASE
(Mycolicibacteriu
m
smegmatis) 		5 / 12 ILE A 129
THR A 163
VAL A  42
SER A  45
GLU A  81
 None
 1.38A 6bzoC-3ndoA:
undetectable		 6bzoC-3ndoA:
12.09