SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3bpk'

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.
1XF1_A_ACTA1107_0
(C5A PEPTIDASE)		 3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B
(Bacillus
cereus) 		4 / 5 LEU A 179
GLY A 178
HIS A 175
ILE A 174
 None
 0.94A 1xf1A-3bpkA:
undetectable		 1xf1A-3bpkA:
12.24
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.
2PKK_A_2FAA501_2
(ADENOSINE KINASE)		 3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B
(Bacillus
cereus) 		4 / 4 ALA A  28
VAL A  82
PHE A  29
THR A  71
 None
 1.08A 2pkkA-3bpkA:
undetectable		 2pkkA-3bpkA:
20.18
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.
2X45_B_HSMB1161_1
(ALLERGEN ARG R 1)		 3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B
(Bacillus
cereus) 		4 / 4 VAL A  59
TYR A  44
VAL A  30
SER A  86
 None
CL  A 605 (-4.6A)
None
None
 1.49A 2x45B-3bpkA:
undetectable		 2x45B-3bpkA:
21.40
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.
4CCQ_A_ACTA1317_0
(THIOREDOXIN
REDUCTASE)		 3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B
(Bacillus
cereus) 		3 / 3 LEU A 193
GLU A  88
SER A 183
 None
 0.81A 4ccqA-3bpkA:
undetectable		 4ccqA-3bpkA:
22.56
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.
4MK4_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B
(Bacillus
cereus) 		3 / 3 LEU A  56
ILE A 156
ARG A 139
 None
 0.68A 4mk4B-3bpkA:
undetectable		 4mk4B-3bpkA:
22.83
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.
4Q15_A_HFGA803_1
(PROLINE--TRNA LIGASE)		 3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B
(Bacillus
cereus) 		3 / 3 GLU A 128
THR A  31
HIS A  84
 None
 0.65A 4q15A-3bpkA:
undetectable		 4q15A-3bpkA:
18.96
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.
4Q15_B_HFGB803_1
(PROLINE--TRNA LIGASE)		 3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B
(Bacillus
cereus) 		3 / 3 GLU A 128
THR A  31
HIS A  84
 None
 0.61A 4q15B-3bpkA:
undetectable		 4q15B-3bpkA:
18.96
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.
4YDQ_A_HFGA802_1
(PROLINE--TRNA LIGASE)		 3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B
(Bacillus
cereus) 		4 / 4 THR A 114
GLU A 128
THR A  31
HIS A  84
 None
 1.06A 4ydqA-3bpkA:
undetectable		 4ydqA-3bpkA:
18.53
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.
4YDQ_B_HFGB802_1
(PROLINE--TRNA LIGASE)		 3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B
(Bacillus
cereus) 		3 / 3 GLU A 128
THR A  31
HIS A  84
 None
 0.67A 4ydqB-3bpkA:
undetectable		 4ydqB-3bpkA:
18.53
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.
5BPH_B_ACTB404_0
(D-ALANINE--D-ALANINE
LIGASE)		 3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B
(Bacillus
cereus) 		4 / 7 TYR A  46
TYR A  15
ARG A 184
GLY A 187
 None
 1.21A 5bphB-3bpkA:
undetectable		 5bphB-3bpkA:
22.64
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.
5F9Z_A_HFGA702_1
(AMINOACYL-TRNA
SYNTHETASE)		 3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B
(Bacillus
cereus) 		4 / 4 THR A 114
GLU A 128
THR A  31
HIS A  84
 None
 1.06A 5f9zA-3bpkA:
undetectable		 5f9zA-3bpkA:
19.44
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.
5ZW4_A_SAMA302_1
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)		 3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B
(Bacillus
cereus) 		4 / 6 GLU A  67
ARG A  68
ASP A 153
ASP A 148
 None
 1.19A 5zw4A-3bpkA:
undetectable		 5zw4A-3bpkA:
22.88