SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3dnf'

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.
1TKQ_B_DVAB8_0
(GRAMICIDIN A)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		4 / 5 VAL A 176
GLY A 177
VAL A 175
TRP A 182
 None
 0.93A 1tkqB-3dnfA:
undetectable		 1tkqB-3dnfA:
8.27
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.
2QMM_B_SAMB301_0
(UPF0217 PROTEIN
AF_1056)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 11 GLU A 246
ILE A 216
GLY A 217
GLY A 218
LEU A 247
 None
 0.84A 2qmmA-3dnfA:
undetectable
2qmmB-3dnfA:
2.8		 2qmmA-3dnfA:
22.01
2qmmB-3dnfA:
22.01
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.
3EKP_C_478C200_2
(PROTEASE)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		6 / 10 ALA A 262
VAL A 274
ILE A 214
GLY A 259
ILE A   5
ILE A 271
 None
 1.37A 3ekpD-3dnfA:
undetectable		 3ekpD-3dnfA:
19.05
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.
3NNE_G_ACTG601_0
(CHOLINE OXIDASE)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		4 / 6 ALA A 163
ILE A 192
VAL A 188
ASN A 190
 None
 1.22A 3nneG-3dnfA:
undetectable		 3nneG-3dnfA:
21.60
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.
4MM5_A_SREA603_1
(TRANSPORTER)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 9 VAL A  20
ALA A  19
GLY A  11
PHE A  12
GLY A  15
 None
None
None
None
F3S  A2302 (-3.4A)
 1.22A 4mm5A-3dnfA:
undetectable		 4mm5A-3dnfA:
20.34
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.
4MM9_A_FVXA603_1
(TRANSPORTER)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 11 VAL A  20
ALA A  19
GLY A  11
PHE A  12
GLY A  15
 None
None
None
None
F3S  A2302 (-3.4A)
 1.20A 4mm9A-3dnfA:
undetectable		 4mm9A-3dnfA:
20.34
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.
4MMB_A_SREA603_1
(TRANSPORTER)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 9 VAL A  20
ALA A  19
GLY A  11
PHE A  12
GLY A  15
 None
None
None
None
F3S  A2302 (-3.4A)
 1.25A 4mmbA-3dnfA:
undetectable		 4mmbA-3dnfA:
20.34
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.
4MMD_A_29EA603_1
(TRANSPORTER)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 10 VAL A  20
ALA A  19
GLY A  11
PHE A  12
GLY A  15
 None
None
None
None
F3S  A2302 (-3.4A)
 1.24A 4mmdA-3dnfA:
undetectable		 4mmdA-3dnfA:
20.34
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.
4MMF_A_29QA603_1
(TRANSPORTER)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 9 VAL A  20
ALA A  19
GLY A  11
PHE A  12
GLY A  15
 None
None
None
None
F3S  A2302 (-3.4A)
 1.27A 4mmfA-3dnfA:
undetectable		 4mmfA-3dnfA:
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.
4MMF_B_29QB603_1
(TRANSPORTER)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 9 VAL A  20
ALA A  19
GLY A  11
PHE A  12
GLY A  15
 None
None
None
None
F3S  A2302 (-3.4A)
 1.28A 4mmfB-3dnfA:
undetectable		 4mmfB-3dnfA:
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.
5G5G_C_ACTC1740_0
(PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		4 / 4 VAL A 127
GLU A 126
GLY A 120
LEU A 118
 None
 1.13A 5g5gC-3dnfA:
undetectable		 5g5gC-3dnfA:
17.49
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.
5J2T_C_VLBC503_2
(TUBULIN ALPHA-1B
CHAIN)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 12 LYS A 173
VAL A 175
ILE A 179
ALA A 180
VAL A 144
 None
 0.83A 5j2tC-3dnfA:
undetectable		 5j2tC-3dnfA:
20.39
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.
5JS1_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		4 / 5 LYS A 187
LEU A 109
GLU A 112
TYR A 114
 None
 1.43A 5js1A-3dnfA:
4.8		 5js1A-3dnfA:
17.16
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.
5TZO_A_7V7A201_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		4 / 8 THR A 166
THR A 196
ARG A 226
GLN A 200
 None
 1.40A 5tzoA-3dnfA:
undetectable		 5tzoA-3dnfA:
17.92
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.
5TZO_B_7V7B202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		4 / 8 THR A 166
THR A 196
ARG A 226
GLN A 200
 None
 1.33A 5tzoB-3dnfA:
undetectable		 5tzoB-3dnfA:
17.92
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.
5TZO_C_7V7C202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		4 / 8 THR A 166
THR A 196
ARG A 226
GLN A 200
 None
 1.38A 5tzoC-3dnfA:
undetectable		 5tzoC-3dnfA:
17.92
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.
6CDU_G_EY4G501_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		4 / 7 ILE A 270
GLN A 273
VAL A 274
ILE A 241
 None
 0.98A 6cduF-3dnfA:
undetectable
6cduG-3dnfA:
undetectable		 6cduF-3dnfA:
21.70
6cduG-3dnfA:
21.70
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.
6EMU_A_SAMA501_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 12 ILE A 142
GLY A 141
THR A 110
ILE A 179
VAL A 183
 None
 0.98A 6emuA-3dnfA:
undetectable		 6emuA-3dnfA:
21.85
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.
6EMU_B_SAMB301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 12 ILE A 142
GLY A 141
THR A 110
ILE A 179
VAL A 183
 None
 0.97A 6emuB-3dnfA:
2.4		 6emuB-3dnfA:
21.85
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.
6EMU_B_SAMB301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 12 ILE A 150
GLY A 151
ILE A 161
VAL A 186
ILE A 179
 None
 1.03A 6emuB-3dnfA:
2.4		 6emuB-3dnfA:
21.85
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.
6EMU_C_SAMC301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		 3dnf 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE
(Aquifex
aeolicus) 		5 / 12 ILE A 142
GLY A 141
THR A 110
ILE A 179
VAL A 183
 None
 1.02A 6emuC-3dnfA:
2.4		 6emuC-3dnfA:
21.85