SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3wqf'

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.
1CQP_B_803B311_1
(ANTIGEN CD11A (P180))		 3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE
(Delftia
sp.
HT23) 		4 / 7 VAL A 250
TYR A 177
LEU A 188
LEU A 185
 None
PLP  A 401 (-4.6A)
None
None
 0.77A 1cqpA-3wqfA:
undetectable
1cqpB-3wqfA:
undetectable		 1cqpA-3wqfA:
18.23
1cqpB-3wqfA:
18.23
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.
1J3J_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE
(Delftia
sp.
HT23) 		5 / 10 ILE A 265
ALA A 262
ILE A 335
ILE A 275
THR A  10
 None
 1.32A 1j3jA-3wqfA:
undetectable		 1j3jA-3wqfA:
18.16
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.
1ONI_F_BEZF511_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE
(Delftia
sp.
HT23) 		4 / 5 GLU A 254
PHE A 296
ARG A 246
ALA A 253
 None
 1.49A 1oniE-3wqfA:
undetectable
1oniF-3wqfA:
undetectable		 1oniE-3wqfA:
19.64
1oniF-3wqfA:
19.64
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.
2FJ1_A_CTCA222_0
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		 3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE
(Delftia
sp.
HT23) 		5 / 12 PHE A 339
THR A 315
VAL A 313
LEU A 348
ILE A 347
 None
 1.24A 2fj1A-3wqfA:
undetectable		 2fj1A-3wqfA:
19.16
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.
2VCT_C_ASDC1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		 3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE
(Delftia
sp.
HT23) 		4 / 8 ILE A 133
GLY A 156
ARG A 157
LEU A 208
 None
 0.93A 2vctC-3wqfA:
undetectable		 2vctC-3wqfA:
20.58
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.
2WD9_A_IBPA1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE
(Delftia
sp.
HT23) 		4 / 7 ILE A 155
LEU A 152
GLY A 145
GLY A 143
 None
 0.78A 2wd9A-3wqfA:
undetectable		 2wd9A-3wqfA:
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.
2YDO_A_ADNA400_1
(ADENOSINE RECEPTOR
A2A)		 3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE
(Delftia
sp.
HT23) 		5 / 12 LEU A 345
THR A 343
MET A 309
ILE A 335
HIS A 267
 None
 1.48A 2ydoA-3wqfA:
undetectable		 2ydoA-3wqfA:
21.55
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.
3R55_A_PZAA598_0
(LACTOPEROXIDASE)		 3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE
(Delftia
sp.
HT23) 		3 / 3 GLU A 127
PHE A 129
GLN A 125
 None
 0.98A 3r55A-3wqfA:
undetectable		 3r55A-3wqfA:
18.97
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.
4P65_A_IPHA101_0
(INSULIN)		 3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE
(Delftia
sp.
HT23) 		5 / 10 LEU A  67
CYH A 103
LEU A  98
ALA A  95
LEU A 107
 None
 1.09A 4p65A-3wqfA:
undetectable
4p65B-3wqfA:
undetectable
4p65F-3wqfA:
undetectable
4p65H-3wqfA:
undetectable		 4p65A-3wqfA:
3.85
4p65B-3wqfA:
7.69
4p65F-3wqfA:
7.69
4p65H-3wqfA:
7.69
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.
4P65_C_IPHC101_0
(INSULIN)		 3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE
(Delftia
sp.
HT23) 		5 / 11 LEU A  67
CYH A 103
LEU A  98
ALA A  95
LEU A 107
 None
 1.10A 4p65C-3wqfA:
undetectable
4p65D-3wqfA:
undetectable
4p65J-3wqfA:
undetectable
4p65L-3wqfA:
undetectable		 4p65C-3wqfA:
3.85
4p65D-3wqfA:
7.69
4p65J-3wqfA:
7.69
4p65L-3wqfA:
7.69
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.
4QW1_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		 3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE
(Delftia
sp.
HT23) 		5 / 11 HIS A 140
SER A 176
THR A  44
GLY A 236
THR A 218
 None
None
None
PLP  A 401 (-3.4A)
PLP  A 401 (-3.6A)
 1.47A 4qw1V-3wqfA:
undetectable
4qw1b-3wqfA:
undetectable		 4qw1V-3wqfA:
21.75
4qw1b-3wqfA:
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.
4RJD_B_TFPB203_1
(CALMODULIN)		 3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE
(Delftia
sp.
HT23) 		4 / 7 PHE A 129
LEU A 107
MET A  87
ALA A 114
 None
 1.04A 4rjdB-3wqfA:
undetectable		 4rjdB-3wqfA:
12.18
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.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		 3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE
(Delftia
sp.
HT23) 		5 / 11 ASP A 295
ALA A 290
ASP A 328
GLY A 299
GLY A 311
 None
 1.14A 4xp4A-3wqfA:
undetectable		 4xp4A-3wqfA:
23.40
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		 3wqf D-THREO-3-HYDROXYASP
ARTATE DEHYDRATASE
(Delftia
sp.
HT23) 		4 / 7 THR A  44
ILE A  62
THR A  63
TYR A 238
 None
 0.98A 5zsfA-3wqfA:
undetectable
5zsfB-3wqfA:
undetectable		 5zsfA-3wqfA:
12.26
5zsfB-3wqfA:
12.26