SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3dse'

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.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3dse BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		6 / 12 THR A 220
HIS A 223
GLU A 224
HIS A 227
GLU A 262
TYR A 366
 None
ZN  A 501 (-3.2A)
ZN  A 501 ( 4.4A)
ZN  A 501 (-3.3A)
ZN  A 501 (-1.9A)
None
 0.95A 1j36A-3dseA:
undetectable		 1j36A-3dseA:
20.73
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.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3dse BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		6 / 12 THR A 220
HIS A 223
GLU A 224
HIS A 227
GLU A 262
TYR A 366
 None
ZN  A 501 (-3.2A)
ZN  A 501 ( 4.4A)
ZN  A 501 (-3.3A)
ZN  A 501 (-1.9A)
None
 0.95A 1j36B-3dseA:
undetectable		 1j36B-3dseA:
20.73
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.
1J96_A_TESA903_1
(3ALPHA-HYDROXYSTEROI
D DEHYDROGENASE TYPE
3)		 3dse BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		4 / 6 TYR A  77
VAL A 379
ILE A 378
LEU A 416
 None
 1.08A 1j96A-3dseA:
undetectable		 1j96A-3dseA:
21.78
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.
1UTD_Q_TRPQ81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3dse BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		5 / 10 GLY A 229
HIS A 230
HIS A 227
ILE A 111
THR A 265
 None
None
ZN  A 501 (-3.3A)
None
None
 1.17A 1utdQ-3dseA:
undetectable
1utdR-3dseA:
undetectable		 1utdQ-3dseA:
10.71
1utdR-3dseA:
10.71
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.
2OCU_A_TYLA3001_1
(LACTOTRANSFERRIN)		 3dse BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		3 / 3 LEU A 345
TYR A 233
GLY A 181
 None
 0.53A 2ocuA-3dseA:
undetectable		 2ocuA-3dseA:
19.45
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.
3KEC_B_HAEB271_1
(COLLAGENASE 3)		 3dse BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		3 / 3 HIS A 223
GLU A 224
HIS A 227
 ZN  A 501 (-3.2A)
ZN  A 501 ( 4.4A)
ZN  A 501 (-3.3A)
 0.16A 3kecB-3dseA:
undetectable		 3kecB-3dseA:
19.57
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.
3U52_A_CUA515_0
(PHENOL HYDROXYLASE
COMPONENT PHL
PHENOL HYDROXYLASE
COMPONENT PHN)		 3dse BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		3 / 3 HIS A 227
HIS A 230
ILE A 226
 ZN  A 501 (-3.3A)
None
None
 0.85A 3u52A-3dseA:
undetectable
3u52C-3dseA:
undetectable		 3u52A-3dseA:
21.73
3u52C-3dseA:
20.56
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.
4PD9_A_ADNA501_2
(NUPC FAMILY PROTEIN)		 3dse BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		3 / 3 THR A 101
ASN A 391
PHE A 390
 None
 0.50A 4pd9A-3dseA:
undetectable		 4pd9A-3dseA:
21.67
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.
4PD9_A_ADNA501_2
(NUPC FAMILY PROTEIN)		 3dse BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		3 / 3 THR A 265
ASN A 368
PHE A 196
 None
 0.72A 4pd9A-3dseA:
undetectable		 4pd9A-3dseA:
21.67
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.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 3dse BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		5 / 12 HIS A 223
GLU A 224
HIS A 227
GLU A 262
TYR A 366
 ZN  A 501 (-3.2A)
ZN  A 501 ( 4.4A)
ZN  A 501 (-3.3A)
ZN  A 501 (-1.9A)
None
 0.54A 4r7lA-3dseA:
3.7		 4r7lA-3dseA:
21.59
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.
4W9N_C_CCSC1548_0
(ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE)		 3dse BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		3 / 3 ALA A  35
TRP A  43
VAL A  44
 None
 0.22A 4w9nC-3dseA:
undetectable		 4w9nC-3dseA:
22.15
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.
4YJI_A_TYLA502_1
(ARYL ACYLAMIDASE)		 3dse BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		4 / 7 LEU A 345
GLY A 234
GLY A 179
ILE A 293
 None
 0.70A 4yjiA-3dseA:
undetectable		 4yjiA-3dseA:
22.16
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.
5PAH_A_LDPA600_1
(PHENYLALANINE
4-MONOOXYGENASE)		 3dse BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		4 / 4 HIS A 227
HIS A 223
TYR A 366
GLU A 262
 ZN  A 501 (-3.3A)
ZN  A 501 (-3.2A)
None
ZN  A 501 (-1.9A)
 1.18A 5pahA-3dseA:
undetectable		 5pahA-3dseA:
21.15
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.
6G2P_A_TRPA502_0
(FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA)		 3dse BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		4 / 7 ARG A 264
TYR A 286
LEU A 284
TYR A 342
 None
 1.39A 6g2pA-3dseA:
undetectable		 6g2pA-3dseA:
21.46
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.
6JI6_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME)		 3dse BOTULINUM NEUROTOXIN
TYPE A
(Clostridium
botulinum) 		4 / 5 GLY A 181
LEU A 175
SER A 167
GLN A 184
 None
 1.03A 6ji6A-3dseA:
undetectable		 6ji6A-3dseA:
19.19