SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3bu1'

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.
1ESW_A_ACRA652_1
(AMYLOMALTASE)		 3bu1 LIPOCALIN
(Argas
monolakensis) 		4 / 6 TYR A  21
GLY A  20
GLY A  17
SER A 109
 HSM  A 301 (-3.2A)
None
None
None
 0.94A 1eswA-3bu1A:
undetectable		 1eswA-3bu1A:
13.33
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.
1QFT_A_HSMA176_1
(PROTEIN
(FEMALE-SPECIFIC
HISTAMINE BINDING
PROTEIN 2))		 3bu1 LIPOCALIN
(Argas
monolakensis) 		5 / 9 SER A  12
TYR A  21
VAL A  37
ASP A  94
TRP A 105
 HSM  A 301 (-3.6A)
HSM  A 301 (-3.2A)
None
HSM  A 301 (-2.9A)
HSM  A 301 (-3.3A)
 0.53A 1qftA-3bu1A:
16.9		 1qftA-3bu1A:
25.97
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.
1QFT_B_HSMB176_1
(PROTEIN
(FEMALE-SPECIFIC
HISTAMINE BINDING
PROTEIN 2))		 3bu1 LIPOCALIN
(Argas
monolakensis) 		5 / 9 SER A  12
TYR A  21
VAL A  37
ASP A  94
TRP A 105
 HSM  A 301 (-3.6A)
HSM  A 301 (-3.2A)
None
HSM  A 301 (-2.9A)
HSM  A 301 (-3.3A)
 0.45A 1qftB-3bu1A:
17.5		 1qftB-3bu1A:
25.97
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.
1TNL_A_TPAA900_1
(TRYPSIN)		 3bu1 LIPOCALIN
(Argas
monolakensis) 		5 / 6 ASP A  94
SER A  88
SER A   8
VAL A   7
GLY A  15
 HSM  A 301 (-2.9A)
None
None
None
None
 1.38A 1tnlA-3bu1A:
undetectable		 1tnlA-3bu1A:
22.47
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.
2OTV_A_NCAA1301_0
(CATIONIC TRYPSIN)		 3bu1 LIPOCALIN
(Argas
monolakensis) 		5 / 6 ASP A  94
SER A  88
SER A   8
VAL A   7
GLY A  15
 HSM  A 301 (-2.9A)
None
None
None
None
 1.43A 2otvA-3bu1A:
undetectable		 2otvA-3bu1A:
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.
2VIN_A_505A1247_1
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR CHAIN B)		 3bu1 LIPOCALIN
(Argas
monolakensis) 		5 / 8 ASP A  94
SER A  88
SER A   8
VAL A   7
GLY A  15
 HSM  A 301 (-2.9A)
None
None
None
None
 1.34A 2vinA-3bu1A:
undetectable		 2vinA-3bu1A:
19.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X45_A_HSMA1160_1
(ALLERGEN ARG R 1)		 3bu1 LIPOCALIN
(Argas
monolakensis) 		6 / 6 SER A  12
TYR A  21
VAL A  37
TYR A  51
ASP A  94
TRP A 105
 HSM  A 301 (-3.6A)
HSM  A 301 (-3.2A)
None
HSM  A 301 (-4.6A)
HSM  A 301 (-2.9A)
HSM  A 301 (-3.3A)
 0.30A 2x45A-3bu1A:
26.0		 2x45A-3bu1A:
48.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X45_A_HSMA1161_1
(ALLERGEN ARG R 1)		 3bu1 LIPOCALIN
(Argas
monolakensis) 		5 / 5 VAL A  37
TYR A  53
VAL A  78
ASP A  81
SER A  83
 None
None
None
None
HSM  A 301 ( 4.0A)
 0.48A 2x45A-3bu1A:
26.0		 2x45A-3bu1A:
48.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X45_B_HSMB1160_1
(ALLERGEN ARG R 1)		 3bu1 LIPOCALIN
(Argas
monolakensis) 		7 / 7 SER A  12
TYR A  21
VAL A  37
TYR A  51
ILE A  76
ASP A  94
TRP A 105
 HSM  A 301 (-3.6A)
HSM  A 301 (-3.2A)
None
HSM  A 301 (-4.6A)
HSM  A 301 ( 4.0A)
HSM  A 301 (-2.9A)
HSM  A 301 (-3.3A)
 0.34A 2x45B-3bu1A:
25.9		 2x45B-3bu1A:
48.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X45_B_HSMB1161_1
(ALLERGEN ARG R 1)		 3bu1 LIPOCALIN
(Argas
monolakensis) 		4 / 4 VAL A  37
TYR A  53
VAL A  78
SER A  83
 None
None
None
HSM  A 301 ( 4.0A)
 0.33A 2x45B-3bu1A:
25.9		 2x45B-3bu1A:
48.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X45_C_HSMC1160_1
(ALLERGEN ARG R 1)		 3bu1 LIPOCALIN
(Argas
monolakensis) 		7 / 7 SER A  12
TYR A  21
VAL A  37
TYR A  51
ILE A  76
ASP A  94
TRP A 105
 HSM  A 301 (-3.6A)
HSM  A 301 (-3.2A)
None
HSM  A 301 (-4.6A)
HSM  A 301 ( 4.0A)
HSM  A 301 (-2.9A)
HSM  A 301 (-3.3A)
 0.33A 2x45C-3bu1A:
25.9		 2x45C-3bu1A:
48.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2X45_C_HSMC1161_1
(ALLERGEN ARG R 1)		 3bu1 LIPOCALIN
(Argas
monolakensis) 		5 / 5 VAL A  37
TYR A  53
VAL A  78
ASP A  81
SER A  83
 None
None
None
None
HSM  A 301 ( 4.0A)
 0.53A 2x45C-3bu1A:
25.9		 2x45C-3bu1A:
48.30
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.
5ESH_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3bu1 LIPOCALIN
(Argas
monolakensis) 		5 / 12 ALA A  49
LEU A  13
TYR A  22
TYR A 138
LEU A  62
 None
 1.18A 5eshA-3bu1A:
undetectable		 5eshA-3bu1A:
14.96
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.
5JSD_A_1GNA612_1
(PHIAB6 TAILSPIKE)		 3bu1 LIPOCALIN
(Argas
monolakensis) 		4 / 4 VAL A  37
THR A  35
GLU A  28
GLU A 103
 None
 1.18A 5jsdA-3bu1A:
0.0
5jsdB-3bu1A:
0.0		 5jsdA-3bu1A:
11.99
5jsdB-3bu1A:
11.99
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.
5JSD_C_1GNC611_1
(PHIAB6 TAILSPIKE)		 3bu1 LIPOCALIN
(Argas
monolakensis) 		4 / 4 GLU A  28
GLU A 103
VAL A  37
THR A  35
 None
 1.18A 5jsdA-3bu1A:
0.0
5jsdC-3bu1A:
0.0		 5jsdA-3bu1A:
11.99
5jsdC-3bu1A:
11.99