SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3b12'

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_C_DVAC6_0
(GRAMICIDIN A)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		3 / 3 ALA A 104
VAL A 126
TRP A 255
 FAH  A 501 (-3.5A)
None
None
 0.82A 1av2C-3b12A:
undetectable
1av2D-3b12A:
undetectable		 1av2C-3b12A:
4.66
1av2D-3b12A:
4.66
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.
1KIA_C_ACTC2294_0
(GLYCINE
N-METHYLTRANSFERASE)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		4 / 7 TRP A 179
ARG A 108
TYR A 147
TYR A 212
 None
FAH  A 501 (-4.1A)
FAH  A 501 ( 4.9A)
FAH  A 501 (-4.7A)
 1.40A 1kiaC-3b12A:
undetectable		 1kiaC-3b12A:
20.54
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.
1KIA_D_ACTD3294_0
(GLYCINE
N-METHYLTRANSFERASE)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		4 / 7 TRP A 179
ARG A 108
TYR A 147
TYR A 212
 None
FAH  A 501 (-4.1A)
FAH  A 501 ( 4.9A)
FAH  A 501 (-4.7A)
 1.41A 1kiaD-3b12A:
undetectable		 1kiaD-3b12A:
20.54
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.
1W5U_C_DVAC6_0
(GRAMICIDIN D)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		3 / 3 ALA A 104
VAL A 126
TRP A 255
 FAH  A 501 (-3.5A)
None
None
 0.81A 1w5uC-3b12A:
undetectable
1w5uD-3b12A:
undetectable		 1w5uC-3b12A:
4.66
1w5uD-3b12A:
4.66
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.
2BDM_A_TMIA503_1
(CYTOCHROME P450 2B4)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		4 / 8 LEU A 100
LEU A 115
VAL A 231
VAL A 126
 None
 1.00A 2bdmA-3b12A:
undetectable		 2bdmA-3b12A:
22.22
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_B_DVAB6_0
(GRAMICIDIN D)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		3 / 3 TRP A 255
ALA A 104
VAL A 126
 None
FAH  A 501 (-3.5A)
None
 0.77A 2izqA-3b12A:
undetectable
2izqB-3b12A:
undetectable		 2izqA-3b12A:
4.66
2izqB-3b12A:
4.66
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.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		5 / 12 MET A  40
LEU A  29
LEU A  28
GLY A 107
HIS A 103
 None
 1.06A 2ouzA-3b12A:
undetectable		 2ouzA-3b12A:
19.93
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.
2VQ5_B_LDPB1197_1
(S-NORCOCLAURINE
SYNTHASE)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		4 / 7 LEU A  29
LEU A 100
PHE A  98
LEU A  89
 None
 0.90A 2vq5B-3b12A:
undetectable		 2vq5B-3b12A:
18.65
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.
2XDC_D_DVAD8_0
(GRAMICIDIN A)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		3 / 3 TRP A 148
VAL A 143
TRP A 179
 None
 1.07A 2xdcC-3b12A:
undetectable
2xdcD-3b12A:
undetectable		 2xdcC-3b12A:
4.66
2xdcD-3b12A:
4.66
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.
2XDC_F_DVAF8_0
(GRAMICIDIN A)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		3 / 3 TRP A 148
VAL A 143
TRP A 179
 None
 1.10A 2xdcE-3b12A:
undetectable
2xdcF-3b12A:
undetectable		 2xdcE-3b12A:
4.66
2xdcF-3b12A:
4.66
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.
2Y5M_F_DVAF8_0
(VAL-GRAMICIDIN A)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		3 / 3 TRP A 148
VAL A 143
TRP A 179
 None
 1.10A 2y5mE-3b12A:
undetectable
2y5mF-3b12A:
undetectable		 2y5mE-3b12A:
4.66
2y5mF-3b12A:
4.66
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.
2Y6N_D_DVAD8_0
(VAL-GRAMICIDIN A)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		3 / 3 TRP A 148
VAL A 143
TRP A 179
 None
 1.08A 2y6nC-3b12A:
undetectable
2y6nD-3b12A:
undetectable		 2y6nC-3b12A:
4.66
2y6nD-3b12A:
4.66
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.
2Y6N_F_DVAF8_0
(VAL-GRAMICIDIN A)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		3 / 3 TRP A 148
VAL A 143
TRP A 179
 None
 1.07A 2y6nE-3b12A:
undetectable
2y6nF-3b12A:
undetectable		 2y6nE-3b12A:
4.66
2y6nF-3b12A:
4.66
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_A_DVAA6_0
(GRAMICIDIN D)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		3 / 3 ALA A 104
VAL A 126
TRP A 255
 FAH  A 501 (-3.5A)
None
None
 0.74A 3l8lA-3b12A:
undetectable
3l8lB-3b12A:
undetectable		 3l8lA-3b12A:
4.66
3l8lB-3b12A:
5.33
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.
3L8L_C_DVAC6_0
(GRAMICIDIN D)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		3 / 3 ALA A 104
VAL A 126
TRP A 255
 FAH  A 501 (-3.5A)
None
None
 0.82A 3l8lC-3b12A:
undetectable
3l8lD-3b12A:
undetectable		 3l8lC-3b12A:
4.66
3l8lD-3b12A:
5.33
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.
4TWD_J_377J401_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		4 / 6 TYR A 147
TYR A 212
LEU A 153
PHE A  34
 FAH  A 501 ( 4.9A)
FAH  A 501 (-4.7A)
None
None
 1.15A 4twdI-3b12A:
undetectable
4twdJ-3b12A:
undetectable		 4twdI-3b12A:
21.65
4twdJ-3b12A:
21.65
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.
4XR4_B_AG2B511_1
(HOMOSPERMIDINE
SYNTHASE)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		3 / 3 VAL A 143
PHE A 136
ARG A 108
 None
None
FAH  A 501 (-4.1A)
 0.94A 4xr4B-3b12A:
3.7		 4xr4B-3b12A:
21.25
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.
4Z90_E_4LEE401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		4 / 7 THR A  92
LEU A  93
LEU A  89
THR A  16
 None
 0.87A 4z90A-3b12A:
undetectable
4z90B-3b12A:
undetectable
4z90C-3b12A:
undetectable
4z90D-3b12A:
undetectable
4z90E-3b12A:
undetectable		 4z90A-3b12A:
22.13
4z90B-3b12A:
22.13
4z90C-3b12A:
22.13
4z90D-3b12A:
22.13
4z90E-3b12A:
22.13
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.
5TJY_A_BEZA304_0
(4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		3 / 3 MET A 113
GLU A  88
ARG A  87
 None
 1.02A 5tjyA-3b12A:
4.7		 5tjyA-3b12A:
23.38
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.
5TJZ_A_BEZA302_0
(4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		3 / 3 MET A 113
GLU A  88
ARG A  87
 None
 0.98A 5tjzA-3b12A:
5.1		 5tjzA-3b12A:
23.38
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.
5U63_A_ACTA406_0
(THIOREDOXIN
REDUCTASE)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		3 / 3 HIS A 117
SER A  84
ARG A  80
 None
 0.79A 5u63A-3b12A:
undetectable		 5u63A-3b12A:
21.76
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.
6B58_C_ACTC609_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		4 / 5 PHE A 272
PHE A 273
ASP A 128
HIS A 271
 None
None
None
FAH  A 501 (-4.0A)
 1.39A 6b58C-3b12A:
0.0		 6b58C-3b12A:
20.86
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.
6N7F_A_RBFA502_0
(PUTATIVE GLUTATHIONE
REDUCTASE (GR))		 3b12 FLUOROACETATE
DEHALOGENASE
(Burkholderia
sp.) 		4 / 7 GLY A 207
TYR A  62
HIS A 149
GLY A  33
 None
None
FAH  A 501 (-4.2A)
None
 0.78A 6n7fA-3b12A:
undetectable		 6n7fA-3b12A:
14.23