SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2buy'

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.
3AXT_A_SAMA397_0
(PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1)		 2buy PROTOCATECHUATE
3,4-DIOXYGENASE
ALPHA CHAIN
(Acinetobacter
sp.
ADP1) 		5 / 12 LEU A  63
ARG A  64
ILE A 130
ALA A 132
PHE A  56
 None
 1.19A 3axtA-2buyA:
undetectable		 3axtA-2buyA:
17.81
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_B_478B200_1
(PROTEASE)		 2buy PROTOCATECHUATE
3,4-DIOXYGENASE
ALPHA CHAIN
(Acinetobacter
sp.
ADP1) 		5 / 8 GLY A 134
VAL A  55
GLY A 138
ILE A 137
ILE A 189
 None
 1.15A 3ekpA-2buyA:
undetectable		 3ekpA-2buyA:
18.56
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.
3K9F_F_LFXF0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 2buy PROTOCATECHUATE
3,4-DIOXYGENASE
ALPHA CHAIN
(Acinetobacter
sp.
ADP1) 		4 / 5 SER A 127
ARG A 142
ARG A 117
GLY A 116
 None
 1.04A 3k9fA-2buyA:
undetectable
3k9fB-2buyA:
undetectable
3k9fC-2buyA:
undetectable		 3k9fA-2buyA:
17.21
3k9fB-2buyA:
17.21
3k9fC-2buyA:
23.02
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.
3K9F_H_LFXH0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 2buy PROTOCATECHUATE
3,4-DIOXYGENASE
ALPHA CHAIN
(Acinetobacter
sp.
ADP1) 		4 / 6 ARG A 142
SER A 127
ARG A 117
GLY A 116
 None
 1.04A 3k9fA-2buyA:
undetectable
3k9fB-2buyA:
undetectable
3k9fD-2buyA:
undetectable		 3k9fA-2buyA:
17.21
3k9fB-2buyA:
17.21
3k9fD-2buyA:
23.02
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.
3RQW_I_ACHI323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 2buy PROTOCATECHUATE
3,4-DIOXYGENASE
ALPHA CHAIN
(Acinetobacter
sp.
ADP1) 		4 / 8 PHE A 198
ILE A 130
LEU A 170
PHE A 185
 None
 1.03A 3rqwI-2buyA:
undetectable
3rqwJ-2buyA:
undetectable		 3rqwI-2buyA:
17.74
3rqwJ-2buyA:
17.74
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.
5ESM_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2buy PROTOCATECHUATE
3,4-DIOXYGENASE
ALPHA CHAIN
(Acinetobacter
sp.
ADP1) 		4 / 7 ILE A 129
PHE A 106
GLY A  93
LEU A  22
 None
 1.01A 5esmA-2buyA:
undetectable		 5esmA-2buyA:
18.05
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.
5MXB_A_ML1A222_1
(CLASS 10 PLANT
PATHOGENESIS-RELATED
PROTEIN)		 2buy PROTOCATECHUATE
3,4-DIOXYGENASE
ALPHA CHAIN
(Acinetobacter
sp.
ADP1) 		5 / 10 VAL A  55
ILE A 187
LEU A 128
GLY A  96
ALA A  97
 None
 1.14A 5mxbA-2buyA:
undetectable		 5mxbA-2buyA:
21.35