SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3bf8'

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.
1MXD_A_ACRA734_1
(ALPHA AMYLASE)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		4 / 6 HIS A 234
TYR A 208
GLY A 203
TRP A 235
 MLA  A4892 ( 4.8A)
MLA  A4892 (-4.6A)
None
None
 1.35A 1mxdA-3bf8A:
undetectable		 1mxdA-3bf8A:
19.50
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.
1MXG_A_ACRA444_1
(ALPHA AMYLASE)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		4 / 7 HIS A 234
TYR A 208
GLY A 203
TRP A 235
 MLA  A4892 ( 4.8A)
MLA  A4892 (-4.6A)
None
None
 1.33A 1mxgA-3bf8A:
undetectable		 1mxgA-3bf8A:
19.50
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.
1QHS_A_CLMA999_0
(PROTEIN
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE))		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		5 / 12 ILE A 229
ILE A 201
ILE A 112
LEU A  35
ARG A 246
 None
 0.96A 1qhsA-3bf8A:
2.4		 1qhsA-3bf8A:
23.08
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.
1QHY_A_CLMA999_0
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		5 / 12 ILE A 229
ILE A 201
ILE A 112
LEU A  35
ARG A 246
 None
 0.92A 1qhyA-3bf8A:
2.0		 1qhyA-3bf8A:
23.08
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.
2EJF_A_ADNA2001_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		5 / 7 TRP A 188
GLU A 189
ALA A  94
PRO A  65
ALA A  68
 None
 1.25A 2ejfA-3bf8A:
undetectable		 2ejfA-3bf8A:
22.73
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.
2EJF_B_ADNB2002_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		4 / 6 TRP A 188
GLU A 189
PRO A  65
ALA A  68
 None
 1.34A 2ejfB-3bf8A:
undetectable		 2ejfB-3bf8A:
22.73
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.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		4 / 7 TRP A 188
GLU A 189
PRO A  65
ALA A  68
 None
 1.20A 2ejgA-3bf8A:
undetectable		 2ejgA-3bf8A:
22.73
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.
2EJG_B_ADNB1502_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		4 / 7 TRP A 188
GLU A 189
PRO A  65
ALA A  68
 None
 1.22A 2ejgB-3bf8A:
undetectable		 2ejgB-3bf8A:
22.73
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.
2OAX_F_SNLF6001_2
(MINERALOCORTICOID
RECEPTOR)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		4 / 5 LEU A 163
LEU A 162
LEU A 178
MET A 149
 None
 1.02A 2oaxF-3bf8A:
undetectable		 2oaxF-3bf8A:
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.
2ZGW_A_ADNA1301_1
(BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		5 / 7 TRP A 188
GLU A 189
ALA A  94
PRO A  65
ALA A  68
 None
 1.32A 2zgwA-3bf8A:
undetectable		 2zgwA-3bf8A:
22.73
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.
2ZGW_B_ADNB1302_1
(BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		5 / 6 TRP A 188
GLU A 189
ALA A  94
PRO A  65
ALA A  68
 None
 1.26A 2zgwB-3bf8A:
undetectable		 2zgwB-3bf8A:
22.73
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.
3JW3_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		5 / 10 ALA A 238
LEU A  32
VAL A  34
ILE A 248
LEU A  39
 None
 1.18A 3jw3A-3bf8A:
undetectable		 3jw3A-3bf8A:
19.07
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.
3JW5_B_TOPB208_1
(DIHYDROFOLATE
REDUCTASE)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		5 / 10 ALA A 238
LEU A  32
VAL A  34
ILE A 248
LEU A  39
 None
 1.18A 3jw5B-3bf8A:
undetectable		 3jw5B-3bf8A:
19.07
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.
4DJF_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		5 / 12 ASN A  31
PHE A 161
ILE A 248
GLY A  87
ILE A 112
 None
 1.46A 4djfA-3bf8A:
undetectable		 4djfA-3bf8A:
24.04
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.
4O2B_B_LOCB503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		3 / 3 SER A  89
ALA A 111
VAL A 110
 MLA  A4892 (-3.2A)
None
None
 0.61A 4o2bA-3bf8A:
undetectable		 4o2bA-3bf8A:
20.62
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.
4O2B_D_LOCD503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		3 / 3 SER A  89
ALA A 111
VAL A 110
 MLA  A4892 (-3.2A)
None
None
 0.58A 4o2bC-3bf8A:
undetectable		 4o2bC-3bf8A:
20.62
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.
4X1I_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		3 / 3 SER A  89
ALA A 111
VAL A 110
 MLA  A4892 (-3.2A)
None
None
 0.50A 4x1iA-3bf8A:
3.4		 4x1iA-3bf8A:
20.62
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.
5DLV_B_5D5B927_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		5 / 12 LEU A 178
PHE A 161
TRP A 171
PHE A 173
VAL A  50
 None
 1.36A 5dlvB-3bf8A:
undetectable		 5dlvB-3bf8A:
14.04
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.
5EYP_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		3 / 3 SER A  89
ALA A 111
VAL A 110
 MLA  A4892 (-3.2A)
None
None
 0.46A 5eypA-3bf8A:
1.7		 5eypA-3bf8A:
20.62
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.
5O96_D_SAMD501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		5 / 10 LEU A  21
HIS A  23
ILE A  86
GLY A  87
GLY A  91
 None
 0.87A 5o96C-3bf8A:
undetectable
5o96D-3bf8A:
undetectable		 5o96C-3bf8A:
22.30
5o96D-3bf8A:
22.30
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.
5V0V_A_8QSA615_1
(SERUM ALBUMIN)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		4 / 8 LEU A 252
VAL A 110
LEU A 245
ILE A 201
 None
 0.88A 5v0vA-3bf8A:
undetectable		 5v0vA-3bf8A:
17.33
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.
5XIW_D_LOCD503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA CHAIN)		 3bf8 ESTERASE YBFF
(Escherichia
coli) 		3 / 3 SER A  89
ALA A 111
VAL A 110
 MLA  A4892 (-3.2A)
None
None
 0.55A 5xiwC-3bf8A:
1.9		 5xiwC-3bf8A:
14.34